Building an MDMC Universe

An MDMC simulation requires a configuration and a topology defined within a Universe object. Although MDMC is somewhat flexible with regards to the order in which these are created, a suggested approach is as follows:

Restriction on creating a Universe object: MDMC currently only supports orthorhombic boxed Universes; the dimensions must be specified when creating (initialising) the Universe object:

[1]:
# Import the Universe class
from MDMC.MD import Universe
# Initialise a Universe with dimensions in Ang
universe = Universe([10.0, 15.0, 20.0])
Universe created with:
  Dimensions       [10.0, 15.0, 20.0]
  Force field                    None
  Number of atoms                   0

To create a cubic Universe, only a single float needs to be specified for the dimensions:

[2]:
universe = Universe(10.0)
Universe created with:
  Dimensions       [10.0, 10.0, 10.0]
  Force field                    None
  Number of atoms                   0

Create an atomic configuration

Configurations can either be specified by the user or read from a CIF file.

Create an atom

Each atom is specified using an Atom object, which possesses (amongst other things) a position, velocity, element, mass, charge, and atom_type. At a minimum the element must be specified when creating an Atom object:

[3]:
# Import the Atom class
from MDMC.MD import Atom
# Create a hydrogen atom
H1 = Atom('H')

This will create a Hydrogen atom with mass determined from an elemental lookup table, position set to the origin, velocity set to (0., 0., 0.), no charge and no atom_type. Note that if set, the velocity of atoms in the MD engine will be scaled when creating a Simulation in order to ensure the temperature is accurate. Otherwise, if the velocities of all Atom objects in a Simulation are 0, then the velocities of the atoms in the MD engine will be randomly chosen in order to provide an accurate temperature. For more details see Running a Simulation.

Atoms can also be created by copying another atom and passing the position of the new atom:

[4]:
H2 = H1.copy(position=[1., 1., 1.])

The copied atom will have identical properties to the original attribute, except with a different ID (which is unique for all structural units) and a different position. This includes interactions, which will apply to the copied atom in the same way as the original atom e.g. if H1 is bonded to an atom O, H2 will also be bonded to atom O. An example of this is shown in the section ‘Create bonded interactions’.

Atom type

Each atom has an atom_type, which is used for applying non-bonded interactions between atoms; all atoms of the same atom_type will have the same non-bonded interactions applying to them. The atom_type can be specified when the atom is created:

[5]:
O1 = Atom('O', position=[8.0, 8.0, 8.0], atom_type=1)
# and to add the created atom to universe do
universe.add_structural_unit(O1)

Alternatively, the atom_type can be inferred by MDMC. This occurs when an atom with no defined atom_type is added to a Universe:

[6]:
O2 = Atom('O', position=[9.0, 9.0, 9.0])
universe.add_structural_unit(O2)

Assuming no other atoms have been added to the universe, this sets O2.atom_type equal to 1. MDMC infers the atom_type of each atom based on its element and its interactions: all atoms with the same element and the same interactions when they are added to the universe will have the same atom_type. Once an atom’s atom_type is set, it is immutable i.e. it cannot be changed. It is recommended that either all atom types are specified when atoms are created or none are (i.e. either MDMC is left to infer and assign all atom types or no atom types. Only specifying some atom types could result in unexpected behaviour; if it is absolutely necessary then ensure that all atoms with specified atom types are added to the universe first).

To see what atoms have been added to the universe:

[7]:
universe.structure_list
[7]:
[<Atom
  {name: 'O',
   ID: 4,
   element: 'O',
   position: UnitNDArray([9., 9., 9.]) Ang,
   velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>,
 <Atom
  {name: 'O',
   ID: 3,
   element: 'O',
   position: UnitNDArray([8., 8., 8.]) Ang,
   velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]

You can see other attributes of the universe (or any other MDMC containers) with:

[8]:
help(universe)
Help on Universe in module MDMC.MD.simulation object:

class Universe(MDMC.MD.container.AtomContainer)
 |  Universe(dimensions, force_field=None, structures=None, **settings)
 |
 |  Class where the configuration and topology are defined
 |
 |  Parameters
 |  ----------
 |  dimensions : numpy.ndarray, list, float
 |      Dimensions of the ``Universe``, in units of ``Ang``. A `float` can be
 |      used for a cubic universe.
 |  force_field : ForceField, optional
 |      A force field to apply to the Universe. The force fields available are:
 |      TIP3PFB, SPC, SPCE, OPLSAA, TIP3P. Default is None.
 |  structures : list, optional
 |      ``StructuralUnit`` objects contained in the ``Universe``. Default is
 |      None.
 |  **settings
 |      ``kspace_solver`` (`KSpaceSolver`)
 |          The k-space solver to be used for both electrostatic and dispersive
 |          interactions. If this is passed then no ``electrostatic_solver`` or
 |          ``dispersive_solver`` may be passed.
 |      ``electrostatic_solver`` (`KSpaceSolver`)
 |          The k-space solver to be used for electrostatic interactions.
 |      ``dispersive_solver`` (`KSpaceSolver`)
 |          The k-space solver to be used for dispersive interactions.
 |      ``constraint_algorithm`` (`ConstraintAlgorithm`)
 |          The constraint algorithm which will be applied to constrained
 |          ``BondedInteractions``.
 |
 |  Attributes
 |  ----------
 |  dimensions : numpy.ndarray, list, float
 |      Dimensions of the ``Universe`` in units of ``Ang``.
 |  configuration : Configuration
 |      Stores the content, i.e. configuration of atoms etc within the universe
 |  force_field : ForceField or None
 |      Force field to apply to the Universe
 |  kspace_solver : KSpaceSolver
 |      The k-space solver to be used for both electrostatic and dispersive
 |      interactions.
 |  electrostatic_solver : KSpaceSolver
 |      The k-space solver to be used for electrostatic interactions.
 |  dispersive_solver : KSpaceSolver
 |      The k-space solver to be used for dispersive interactions.
 |  constraint_algorithm : ConstraintAlgorithm
 |      The constraint algorithm which will be applied to constrained
 |      ``BondedInteractions``.
 |
 |  Method resolution order:
 |      Universe
 |      MDMC.MD.container.AtomContainer
 |      abc.ABC
 |      builtins.object
 |
 |  Methods defined here:
 |
 |  __eq__(self, other)
 |      Return self==value.
 |
 |  __init__(self, dimensions, force_field=None, structures=None, **settings)
 |      Initialize self.  See help(type(self)) for accurate signature.
 |
 |  __repr__(self)
 |
 |  __str__(self)
 |      Return str(self).
 |
 |  add_bonded_interaction_pairs(self, *bonded_interaction_pairs)
 |      Adds one or more interaction pairs to the ``Universe``
 |
 |      Parameters
 |      ----------
 |      *bonded_interaction_pairs
 |          one or more (``interaction``, ``atoms``) pairs, where ``atoms`` is a
 |          `tuple` of all atoms for that specific bonded ``interaction``
 |
 |  add_force_field(self, force_field, *interactions, **settings)
 |      Adds a force field to the specified ``interactions``.  If no
 |      ``interactions`` are passed, the force field is applied to all
 |      interactions in the ``Universe``.
 |
 |      Parameters
 |      ----------
 |      force_field : str
 |          The ``ForceField`` to parameterize ``interactions`` (if provided),
 |          or all the ``interactions`` in the ``Universe``. The available
 |          ``ForceField`` are:
 |          TIP3PFB, SPC, SPCE, OPLSAA, TIP3P
 |      *interactions
 |          ``Interaction`` objects to parameterize with the ``ForceField``
 |      **settings
 |          ``add_dispersions`` (`bool` or `list` of ``Atoms``)
 |              If `True`, a ``Dispersion`` interaction will be added to all
 |              atoms in the ``Universe``. If a list of ``Atom`` objects is
 |              provided, the ``Dispersion`` will be added to these instead. Any
 |              added ``Dispersion`` interactions (and any previously defined)
 |              will then be parametrized by the ``ForceField``. The
 |              ``Dispersion`` interactions added will only be like-like. By
 |              default, no ``Dispersion`` interactions are added.
 |
 |  add_nonbonded_interaction(self, *nonbonded_interactions)
 |      Adds one or more nonbonded interactions to the ``Universe``
 |
 |      Parameters
 |      ----------
 |      *nonbonded_interactions
 |          Nonbonded interactions to be added to the ``Universe``.
 |          Can take any number of non-bonded interactions:
 |              ``Dispersion()``:
 |                  either Lennard-Jones or Buckingham dispersion
 |              ``Coulombic()``:
 |                  normal or modified Coulomb interaction
 |          with appropriate parameters for the interaction.
 |          See http://mdmcproject.org/tutorials/building-a-universe.html?highlight=interaction#Create-non-bonded-interactions
 |          for more details on non-bonded interactions.
 |
 |  add_structural_unit(self, structural_unit, force_field=None, center=False)
 |      Adds a single ``StructuralUnit`` to the ``Universe``, with optional
 |      ``ForceField`` applying only to that ``StructuralUnit``
 |
 |      Parameters
 |      ----------
 |      structural_unit : StructuralUnit or int
 |          The ``StructuralUnit`` (or its ``ID`` as an `int`) to be added to
 |          the ``Universe``
 |      force_field : str, optional
 |          The force field to be applied to the structural_unit. The available
 |          ``ForceField`` are:
 |          TIP3PFB, SPC, SPCE, OPLSAA, TIP3P
 |      center : bool, optional
 |          Whether to center `structural_unit` within the Universe as it is
 |          added
 |
 |  fill(self, structural_unit: MDMC.MD.structural_units.StructuralUnit, force_field: str = None, num_density: float = None, num_struc_units: int = None)
 |      A liquid-like filling of the ``Universe`` independent of existing atoms
 |
 |      Adds copies of ``structural_unit`` to existing configuration until
 |      ``Universe`` is full.  As exclusion region is defined by the size of a
 |      bounding sphere, this method is most suitable for atoms or molecules
 |      with approximately equal dimensions.
 |
 |      .. note:: CURRENT APPROACH RESULTS IN NUMBER DENSITY DIFFERENT TO WHAT
 |                IS SPECIFIED DEPENDING ON HOW CLOSE CUBE ROOT OF N_MOLECULES
 |                IS TO AN `int`.
 |
 |      .. note:: CURRENT IMPLEMENTATION SHOULD NOT BE USED WITH NON-CUBIC
 |                UNIVERSES AS THE DENSITY MAY OR MAY NOT BE ISOTROPIC
 |                DEPENDING ON THE DIMENSIONS AND NUMBER OF UNITS.
 |
 |      Parameters
 |      ----------
 |      structural_unit : StructuralUnit or int
 |          The ``StructuralUnit`` with which to fill the ``Universe``
 |      force_field : str
 |          Applies a ``ForceField`` to the ``Universe``. The available
 |          ``ForceField`` are:
 |          TIP3PFB, SPC, SPCE, OPLSAA, TIP3P
 |      num_density: float
 |          Non-negative `float` specifying the number density of the
 |          ``StructuralUnit``, in units of ``StructuralUnit / Ang ^ -3``
 |      num_struc_units: int
 |          Non-negative `int` specifying the number of passed
 |          ``StructuralUnit`` objects that the universe should be filled
 |          with, regardless of ``Universe.dimensions``.
 |
 |      Raises
 |      ------
 |      ValueError
 |          If both ``num_density`` and ``num_struc_units`` are passed
 |      ValueError
 |          If neither ``num_density`` or ``num_struc_units`` are passed
 |
 |  solvate(self, density, tolerance=1.0, solvent='SPCE', **settings)
 |      Fills the ``Universe`` with solvent molecules according to pre-defined
 |      coordinates.
 |
 |      Parameters
 |      ----------
 |      density : float
 |          The desired density of the ``Solvent`` that solvates the
 |          ``Universe``, in units of ``amu Ang ^ -3``
 |      tolerance : float, optional
 |          The +/- percentage tolerance of the density to be achieved.
 |          The default is 1 %. Tolerances of less than 1 % are at risk
 |          of not converging.
 |      solvent : str, optional
 |          A `str` specifying an inbuilt ``Solvent`` from the following:
 |          TIP3PFB, SPC, TIP3P, SPCE.
 |          The default is 'SPCE'.
 |      **settings
 |          ``constraint_algorithm`` (`ConstraintAlgorithm`)
 |              A ``ConstraintAlgorithm`` which is applied to the ``Universe``.
 |              If an inbuilt ``Solvent`` is selected (e.g. 'SPCE') and
 |              ``constraint_algorithm`` is not passed, the
 |              ``ConstraintAlgorithm`` will default to ``Shake(1e-4, 100)``.
 |
 |      Raises
 |      ------
 |      ValueError
 |          If the ``Universe`` has already been solvated with a different
 |          density.
 |
 |  ----------------------------------------------------------------------
 |  Readonly properties defined here:
 |
 |  atom_type_interactions
 |      Get the atom types and the interactions for each atom type
 |
 |      Returns
 |      -------
 |      dict
 |          ``atom_type:interactions`` pairs where ``atom_type`` is a `int`
 |          specifying the atom type and ``interactions`` is a `list` of
 |          ``Interaction`` objects acting on that ``atom_type``
 |
 |  atom_types
 |      Get the atom types of atoms in the ``Universe``
 |
 |      Returns
 |      -------
 |      list
 |          The atom types in the ``Universe``
 |
 |  atoms
 |      Get a list of the atoms in the Universe
 |
 |      Returns
 |      -------
 |      list
 |          The atoms in the Universe
 |
 |  bonded_interaction_pairs
 |      Get the bonded interactions and the atoms they apply to
 |
 |      Returns
 |      -------
 |      list
 |          The (``interaction``, ``atoms``) pairs in the ``Universe``, where
 |          ``atoms`` is a `tuple` of all ``Atom`` objects for that specific
 |          ``interaction``
 |
 |      Example
 |      -------
 |      For an O Atom with two bonds, one to H1 and one to H2::
 |
 |          >>> print(O.bonded_interaction_pairs)
 |          [(Bond, (H1, O)), (Bond, (H2, O))]
 |
 |  bonded_interactions
 |      Get the bonded interactions in the ``Universe``
 |
 |      Returns
 |      -------
 |      list
 |          The bonded interactions in the ``Universe``
 |
 |  density
 |
 |  element_dict
 |      Get the elements in the ``Universe`` and example ``Atom`` objects for
 |      each element
 |
 |      This is required for MD engines which assign the same potential
 |      parameters for all identical element types.
 |
 |      Returns
 |      -------
 |      dict
 |          ``element:atom pairs``, where ``atom`` is a single ``Atom`` of the
 |          specified ``element``.
 |
 |  element_list
 |      The elements of the atoms in the ``Universe``
 |
 |      Returns
 |      -------
 |      list
 |          The elements in the ``Universe``
 |
 |  force_fields
 |      Get or set the ``ForceField`` acting on the Universe
 |
 |      The available force fields are:
 |      TIP3PFB, SPC, SPCE, OPLSAA, TIP3P
 |
 |      Returns
 |      -------
 |      list
 |          ``ForceField`` that applies to the ``Universe``
 |
 |  interactions
 |      Get the interactions in the ``Universe``
 |
 |      Returns
 |      -------
 |      list
 |          The interactions in the ``Universe``
 |
 |  molecule_list
 |      Get a list of the ``Molecule`` objects in the ``Universe``
 |
 |      Returns
 |      -------
 |      list
 |          The ``Molecule`` objects in the ``Universe``
 |
 |  n_atoms
 |      Get the number of atoms in the ``Universe``
 |
 |      Returns
 |      -------
 |      int
 |          The number of atoms in the ``Universe``
 |
 |  n_bonded
 |      Get the number of bonded interactions in the ``Universe``
 |
 |      Returns
 |      -------
 |      int
 |          The number of bonded interactions in the ``Universe``
 |
 |  n_interactions
 |      Get the number of interactions in the ``Universe``
 |
 |      Returns
 |      -------
 |      int
 |          The number of interactions in the ``Universe``
 |
 |  n_molecules
 |      Get the number of molecules in the ``Universe``
 |
 |      Returns
 |      -------
 |      int
 |          The number of molecules in the ``Universe``
 |
 |  n_nonbonded
 |      Get the number of nonbonded interactions in the ``Universe``
 |
 |      Returns
 |      -------
 |      int
 |          The number of nonbonded interactions in the ``Universe``
 |
 |  nbis_by_atom_type_pairs
 |      Generates a `dict` of all nonbonded interactions possessed by all
 |      combinations of ``atom_type`` pairs in the ``Universe``.
 |
 |      Returns
 |      -------
 |      dict
 |          A `dict` of ``{pair: interactions}`` pairs, where:
 |              - ``pair`` is a `tuple` for a pair of ``atom_types`` in the
 |                ``Universe``
 |              - ``interactions`` is a list of nonbonded interactions that
 |                exist for this ``pair`` of ``atom_types``
 |
 |          Any ``Dispersions`` in ``interactions`` are ones that exist
 |          explicity for this ``pair``, whereas any ``Coulombics`` in
 |          ``interactions`` are ones that exist for either of the
 |          ``atom_types`` in ``pair``.
 |
 |  nonbonded_interactions
 |      Get the nonbonded interactions in the ``Universe``
 |
 |      Returns
 |      -------
 |      list
 |          The nonbonded interactions in the ``Universe``
 |
 |  parameters
 |      Get the parameters of the interactions that exist within the
 |      ``Universe``
 |
 |      Returns
 |      -------
 |      set
 |          The ``Parameters`` objects defined within ``Universe``
 |
 |  solvent_density
 |
 |  structure_list
 |      Get a `list` of all ``StructuralUnit`` objects that exist in the
 |      ``Universe``.  This includes all ``StructuralUnit`` that are a subunit
 |      of another structure belonging to the ``Universe``.
 |
 |
 |      Returns
 |      -------
 |      list
 |          The ``StructuralUnit`` objects in the ``Universe``
 |
 |  volume
 |
 |  ----------------------------------------------------------------------
 |  Data descriptors defined here:
 |
 |  dimensions
 |
 |  ----------------------------------------------------------------------
 |  Data and other attributes defined here:
 |
 |  __abstractmethods__ = frozenset()
 |
 |  __hash__ = None
 |
 |  ----------------------------------------------------------------------
 |  Methods inherited from MDMC.MD.container.AtomContainer:
 |
 |  __getitem__(self, index)
 |      Returns
 |      -------
 |      Atom, list
 |          The atom (or atoms) for the specified index (or slice)
 |
 |  ----------------------------------------------------------------------
 |  Data descriptors inherited from MDMC.MD.container.AtomContainer:
 |
 |  __dict__
 |      dictionary for instance variables (if defined)
 |
 |  __weakref__
 |      list of weak references to the object (if defined)

The same applies for methods, for example:

[9]:
help(universe.add_structural_unit)
Help on method add_structural_unit in module MDMC.MD.simulation:

add_structural_unit(structural_unit, force_field=None, center=False) method of MDMC.MD.simulation.Universe instance
    Adds a single ``StructuralUnit`` to the ``Universe``, with optional
    ``ForceField`` applying only to that ``StructuralUnit``

    Parameters
    ----------
    structural_unit : StructuralUnit or int
        The ``StructuralUnit`` (or its ``ID`` as an `int`) to be added to
        the ``Universe``
    force_field : str, optional
        The force field to be applied to the structural_unit. The available
        ``ForceField`` are:
        TIP3PFB, SPC, SPCE, OPLSAA, TIP3P
    center : bool, optional
        Whether to center `structural_unit` within the Universe as it is
        added

Create bonded interactions

There are three bonded interaction types within MDMC: Bond, BondAngle and Dihedral. Each Interaction must have an InteractionFunction which describes the Interaction.

Bond

Below this is demonstrated where a Bond with a HarmonicPotential function is created.

[10]:
# Import Bond and HarmonicPotential
from MDMC.MD import Bond
from MDMC.MD import HarmonicPotential
# Create a Bond with a HarmonicPotential
# The first argument in the HarmonicPotential is the equilibrium state and the second is the potential strength
HH_bond = Bond(H1, H2, function=HarmonicPotential(1., 100., interaction_type='bond'))

To see which units are supported:

[11]:
from MDMC.common.units import SYSTEM
SYSTEM
[11]:
{'LENGTH': 'Ang',
 'TIME': 'fs',
 'MASS': 'amu',
 'CHARGE': 'e',
 'ANGLE': 'deg',
 'TEMPERATURE': 'K',
 'ENERGY': 'kJ / mol',
 'FORCE': 'kJ / Ang mol',
 'PRESSURE': 'Pa',
 'ENERGY_TRANSFER': 'meV',
 'ARBITRARY': 'arb'}

BondAngle

A BondAngle is created in the same manner except it requires a minimum of three atoms. The central atom should be the 2nd atom. For example, a water molecule would have:

[12]:
from MDMC.MD import BondAngle

H1 = Atom('H')
H2 = Atom('H', position=[0., 1.63298, 0.])
O = Atom('O', position=[0., 0.81649, 0.57736])
HOH_angle = BondAngle(H1, O, H2)

# The following is equivalent
HOH_angle = BondAngle(H2, O, H1)

Currently HarmonicPotential is the only InteractionFunction that can be applied to either Bond or BondAngle.

All Bond and BondAngle can be constrained; this can either be set when creating the Bond (or BondAngle) or afterwards:

[13]:
HH_bond.constrained = True
HOH_angle = BondAngle(H1, O, H2, constrained=True)

For a constraint to be applied during a simulation, the Universe must have a ConstraintAlgorithm.

DihedralAngle

A DihedralAngle is also created in the same manner, except it requires four atoms. A DihedralAngle can be proper or improper, as specified by DihedralAngle.improper. By default a DihedralAngle is proper.

The atoms in a proper DihedralAngle must be specified so that the 2nd and 3rd atoms are the central two atoms:

[14]:
from MDMC.MD import DihedralAngle

C1 = Atom('C', position=[5.12033922, 4.63847287, 4.94075943])
N = Atom('N', position=[5.12991894, 3.78609704, 3.79996577])
C2 = Atom('C', position=[4.91462725, 4.08992816, 2.5091264])
O = Atom('O', position=[4.67405373, 5.24130678, 2.1180462])
proper = DihedralAngle(atoms=[C1, N, C2, O])

# For a proper DihedralAngle, the equivalent atom order is:
proper = DihedralAngle(atoms=[O, C2, N, C1])

The atoms in an improper DihedralAngle must be specific so that the 1st atom is the central atom.

[15]:
N = Atom('N', position=[4.97080909, 2.91075722, 1.57280005])
C1 = Atom('C', position=[5.12033922, 4.63847287, 4.94075943])
C2 = Atom('C', position=[5.12991894, 3.78609704, 3.79996577])
C3 = Atom('C', position=[4.91462725, 4.08992816, 2.5091264 ])
improper = DihedralAngle(atoms=[N, C1, C2, C3], improper=True)

# The following are some of the equivalent permutations
# The only unique atom location is the first location (central atom)
improper = DihedralAngle(atoms=[N, C2, C1, C3], improper=True)
improper = DihedralAngle(atoms=[N, C3, C1, C2], improper=True)
improper = DihedralAngle(atoms=[N, C1, C3, C2], improper=True)

Currently Periodic is the only InteractionFunction that can be applied to DihedralAngle interactions.

Copying bonded atoms

As mentioned above in the ‘Create an atom’ section, if an Atom with a BondedInteraction is copied, the new atom will also have the same BondedInteraction (and be bonded to the same atom or atoms as the original). For example:

[16]:
wH1 = Atom('H', position=(5., 5., 5.))
wO = Atom('O', position=(5., 6.63298, 5.))
wBond = Bond((wH1, wO), function=HarmonicPotential(1., 100., interaction_type='bond'))
wH2 = wH1.copy(position=(0., 0.81649, 0.57736))

Both atoms wH1 and wH2 are bonded to wO:

[17]:
wBond.atoms
[17]:
[(<Atom
   {name: 'H',
    ID: 16,
    element: 'H',
    position: UnitNDArray([5., 5., 5.]) Ang,
    velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>,
  <Atom
   {name: 'O',
    ID: 17,
    element: 'O',
    position: UnitNDArray([5.     , 6.63298, 5.     ]) Ang,
    velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>),
 (<Atom
   {name: 'H',
    ID: 18,
    element: 'H',
    position: UnitNDArray([0.     , 0.81649, 0.57736]) Ang,
    velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>,
  <Atom
   {name: 'O',
    ID: 17,
    element: 'O',
    position: UnitNDArray([5.     , 6.63298, 5.     ]) Ang,
    velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>)]

Create a molecule

A molecule consists of two or more atoms and at least one bonded interaction:

[18]:
# Import the Atom, Molecule, Bond, BondAngle and HarmonicPotential classes
from MDMC.MD import Molecule, BondAngle
# Create a H2 molecule
H1.position = [0., 0., 0.]
H2.position = [1., 1., 1.]
H_mol = Molecule(position=[2., 1.5, 1.], atoms=[H1, H2], interactions=[HH_bond])

When a Molecule is created, the position of the atoms relative to one another is fixed. The atoms are then moved so that the position of the molecular centre of mass is what was passed when creating the molecule. In the example above, the atoms were at [0., 0., 0.] and [1., 1., 1.] before H_mol was created; therefore they will always be separated by 1.0 Ang in each dimension, no matter where the molecule is moved to. The molecular centre of mass is set to [2., 1.5, 1.], so the atom positions are changed to [2., 1.5, 1.] and [3., 2.5, 2.] respectively. It is also possible to copy molecules:

[19]:
H_mol2 = H_mol.copy(position=[5., 5., 5.])

When a Molecule is copied, each Atom is copied, as are all of the bonded interactions between these atoms (and all of the non-bonded interactions).

One method for building molecules is to copy atoms, as the interactions are also copied. For example, to build methane:

[20]:
m_C = Atom('C')
# Define the H atom positions relative to a C at [0,0,0]
d = 0.629118
H_pos = [[d, d, d], [-d, -d, d], [d, -d, -d], [-d, d, -d]]
m_H = Atom('H', position=H_pos[0])
# Add a bond between
CH_bonds = Bond(m_C, m_H, function=HarmonicPotential(1.09, 100., interaction_type='bond'))
# Make three H atom copies (which are therefore all bonded to m_C)
H_atoms = [m_H]
for pos in H_pos[1:]:
    H_atoms.append(m_H.copy(pos))
# The next two lines simply create a list of unique HCH triplets
# e.g. [(m_H1, m_C, m_H2), (m_H1, m_C, m_H3), ..., (m_H3, m_C, m_H4)].
from itertools import combinations
HCH_triplets = [(i[0], m_C, i[1]) for i in combinations(H_atoms, 2)]
# Unpack the list of triplets with * notation i.e. [(...), (...), (...)] becomes (...), (...), (...)
HCH_angles = BondAngle(*HCH_triplets, function=HarmonicPotential(109.5, 10., interaction_type='angle'))
# Create a methane molecule by adding C atom to list of H atoms
methane = Molecule(atoms=[m_C]+H_atoms)

Creating molecules using configuration files

In addition to creating molecules manually, it is also possible to create them from atomic configuration files (e.g CIF files). Please see the tutorial Reading atoms from configuration files for a detailed description on how to do this.

Add structural units to a universe

There are two methods for adding a structural unit to a universe:

[21]:
# Add an individual structural unit to the universe
universe.add_structural_unit(H_mol)
# Fill the universe with the structural unit repeated on a cubic lattice with a specific number density
universe.fill(H_mol, num_density = 0.01)

Currently the fill command cannot be used in conjunction with add_structural_unit. When using it with a cubic universe the density will be isotropic, however the exact number of structural units added by fill may be lower than expected as it will always add a cube number. Using fill with a non-cubic universe is not recommended as the density may or may not be isotropic depending on the dimensions of the universe and the number of units.

Create non-bonded interactions

Non-bonded interactions are applied to atoms based on their atom_type, rather than to individual atoms. They must also have a Universe specified, so that they know to which atoms they apply (atoms must have an atom_type once they have been added to a universe). For example, to create a Dispersion interaction with a LennardJones interaction function between two atom types:

[22]:
# Import the Dispersion interaction and Lennard-Jones function
from MDMC.MD import Dispersion
from MDMC.MD import LennardJones
# Create a dispersion interaction with a Lennard-Jones function between atoms with atom_type 1 (O) and atom_type 2 (H)
# The first LJ parameter is epsilon and the second is sigma
# The cutoff for the dispersion interaction can also be set (in Ang)
LJ_HO = Dispersion(universe, [1, 2], function=LennardJones(0.65, 3.), cutoff=10.)

The exception to this is Coulombic interactions, which can be applied either to a list of atoms or to a list of atom types. If the Coulombic interaction is applied to a list of atoms, the universe does not need to be specified:

[23]:
# Import the Coulombic interaction
from MDMC.MD import Coulombic
# Create a Coulombic interaction with a Coulomb potential and a charge of 0.42
c_H = Coulombic(atoms=[H1, H2], charge=0.42)

As Coulombic interactions typically have the same interaction function (i.e. a Coulomb function, where the force results in Coulomb’s law), Coulombic interactions do not need to be specified with an interaction function (although other functions can be provided); to set the function as Coulomb, a value for the charge can be passed. The warning highlights the Coulomb interaction function has been automatically set. This is equivalent to:

[24]:
from MDMC.MD import Coulomb
c_H = Coulombic(atoms=[H1, H2], function=Coulomb(0.42))

As with all non-bonded interactions, a Coulombic interaction can also be created by specifying the atom types:

[25]:
c_O = Coulombic(universe, atom_types=[1], charge=0.42)

In this case a universe must be provided.

Applying a ForceField

As well as manually setting the Parameter values for each interaction (e.g. Coulombic(atoms=[H1, H2], function=Coulomb(0.42)) to set the charge), it is also possible to apply a ForceField to a Universe, in order to set the Parameter values. Please see the tutorial Applying a ForceField for a detailed description on how to do this.

Adding kspace solvers to a universe

There are several solvers for determining the long range energy contribution for non-bonded interactions, including Ewald, particle-particle particle-mesh (PPPM), and particle-mesh Ewald (PME). If the long range contribution to the non-bonded energy (i.e. > cutoff) is to be calculated during a simulation, a kspace solver has to be added to the universe. A solver can be specified for either electrostatic or dispersive interactions, or both. This can either be during universe initialisation or afterwards:

[26]:
# Import Ewald and PPPM kspace solvers
from MDMC.MD import Ewald, PPPM
# Create an ewald solver
ewald = Ewald(accuracy=1e-5)
# Initialise a universe with an Ewald solver for both electrostatics and dispersive interactions
uni1 = Universe(10., kspace_solver=ewald)
# Initialise a universe and then add a PPPM solver for electrostatic interactions
uni2 = Universe(10.)
pppm = PPPM(accuracy=1e-4)
uni2.electrostatic_solver = pppm
# Initialise a universe with a PPPM solver for dispersive interactions
uni3 = Universe(10., dispersive_solver=PPPM)
Universe created with:
  Dimensions       [10.0, 10.0, 10.0]
  Force field                    None
  Number of atoms                   0

Universe created with:
  Dimensions       [10.0, 10.0, 10.0]
  Force field                    None
  Number of atoms                   0

Universe created with:
  Dimensions       [10.0, 10.0, 10.0]
  Force field                    None
  Number of atoms                   0

Not all kspace solvers are implemented for all MD engines, and they may also require different parameters to be specified - see the MD engine documentation for more information.

Adding constraint algorithms to a universe

In a similar manner to kspace solvers, constraint algorithms (e.g. SHAKE, RATTLE) can also be passed to a universe. A constraint algorithm is required if any of the bonded interactions are constrained.

[27]:
# Import Shake and Rattle
from MDMC.MD import Shake, Rattle
# Initialise a universe with the Shake algorithm
# The first Shake parameter is the accuracy and the second is the maximum number of iterations used for any constraint calculation
shake = Shake(1e-4, 100)
uni4 = Universe(10., constraint_algorithm=shake)
# Add Rattle after universe initialisation
rattle = Rattle(1e-5, 1000)
uni5 = Universe(10.)
uni5.constraint_algorithm = rattle
Universe created with:
  Dimensions       [10.0, 10.0, 10.0]
  Force field                    None
  Number of atoms                   0

Universe created with:
  Dimensions       [10.0, 10.0, 10.0]
  Force field                    None
  Number of atoms                   0

Not all constraint algorithms are implemented for all MD engines, and they may also required different parameters to be specified - see the MD engine documentation for more information.

Example Universe filled with water

For water, SPCE, SPC, TIP3P and TIP3PFB forcefields are predefined, so parameters do not need to be set when interactions are defined; instead parameters are set by adding a forcefield to the universe.

Note that all water models have (harmonic) potential strengths defined for their Bonds and BondAngles. In order to create a rigid water molecule in accordance with the models, a constraint_algorithm should be passed to the Universe and constrained=True passed to the relevant interactions, as shown below.

“Constraining” the ability of the bonds to oscillate during MD in this way should not be confused with constraining the value of an MDMC Parameter to a certain numerical range during refinement, as described in Running a Refinement. It is entirely possible to have a rigid bond but allow the length of that bond to change between refinement steps, or conversely have a bond that is free to oscillate during MD but the equilibrium length is not altered as part of the refinement.

[28]:
from MDMC.MD import *

universe = Universe(dimensions=21.75, constraint_algorithm=Shake(1e-4, 100), electrostatic_solver=PPPM(accuracy=1e-5))
H1 = Atom('H')
H2 = Atom('H', position=(0., 1.63298, 0.))
O = Atom('O', position=(0., 0.81649, 0.57736))
H_coulombic = Coulombic(atoms=[H1, H2], cutoff=10.)
O_coulombic = Coulombic(atoms=O, cutoff=10.)
water_mol = Molecule(position=(0, 0, 0),
                     velocity=(0, 0, 0),
                     atoms=[H1, H2, O],
                     interactions=[Bond((H1, O), (H2, O), constrained=True),
                                   BondAngle(H1, O, H2, constrained=True)],
                     name='water')
universe.fill(water_mol, num_density=0.03356718472021752)
O_dispersion = Dispersion(universe, [O.atom_type, O.atom_type], cutoff=10., vdw_tail_correction=True)
universe.add_force_field('SPCE')
Universe created with:
  Dimensions       [21.75, 21.75, 21.75]
  Force field                       None
  Number of atoms                      0

Accessing information

After creating a Universe, the various properties and attributes of it can be accessed as follows:

Geometry

[29]:
print('The dimension(s) of the Universe are {0}, giving a volume of {1}'
      ''.format(universe.dimensions, universe.volume))
The dimension(s) of the Universe are [21.75 21.75 21.75] Ang, giving a volume of 10289.109375 Ang ^ 3

Forcefield

[30]:
print('The current force field applied to the Universe is:\n{}'
      ''.format(universe.force_fields))
The current force field applied to the Universe is:
<SPCE
 {interaction_dictionary: {(<class 'MDMC.MD.interactions.Coulombic'>, ('O',)): <Coulomb
 {parameters: array([<Parameter
        {name: 'charge',
         value: -0.8476 e,
         unit: 'e',
         fixed: False,
         constraints: None,
         interactions_name: None,
         functions_name: None,
         tied: False}>           ], dtype=object)}>, (<class 'MDMC.MD.interactions.Coulombic'>, ('H',)): <Coulomb
 {parameters: array([<Parameter
        {name: 'charge',
         value: 0.4238 e,
         unit: 'e',
         fixed: False,
         constraints: None,
         interactions_name: None,
         functions_name: None,
         tied: False}>           ], dtype=object)}>, (<class 'MDMC.MD.interactions.Dispersion'>, ('O', 'O')): <LennardJones
 {parameters: array([<Parameter
        {name: 'epsilon',
         value: 0.6502 kJ / mol,
         unit: 'kJ / mol',
         fixed: False,
         constraints: None,
         interactions_name: None,
         functions_name: None,
         tied: False}>           , <Parameter
                                    {name: 'sigma',
                                     value: 3.166 Ang,
                                     unit: 'Ang',
                                     fixed: False,
                                     constraints: None,
                                     interactions_name: None,
                                     functions_name: None,
                                     tied: False}>           ],
      dtype=object)}>, (<class 'MDMC.MD.interactions.Bond'>, ('H', 'O')): <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: None,
         functions_name: None,
         tied: False}>             , <Parameter
                                      {name: 'potential_strength',
                                       value: 4637.0 kJ / mol Ang ^ 2,
                                       unit: 'kJ / mol Ang ^ 2',
                                       fixed: False,
                                       constraints: None,
                                       interactions_name: None,
                                       functions_name: None,
                                       tied: False}>                  ],
      dtype=object)}>, (<class 'MDMC.MD.interactions.BondAngle'>, ('H', 'O', 'H')): <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: None,
         functions_name: None,
         tied: False}>             , <Parameter
                                      {name: 'potential_strength',
                                       value: 383.0 kJ / mol rad ^ 2,
                                       unit: 'kJ / mol rad ^ 2',
                                       fixed: False,
                                       constraints: None,
                                       interactions_name: None,
                                       functions_name: None,
                                       tied: False}>                 ],
      dtype=object)}>},
  n_body: 3}>

Configuration of atoms and molecules

[31]:
print('There are {0} atoms in the Universe:\n{1}'
      ''.format(universe.n_atoms, universe.atoms))
There are 1029 atoms in the Universe:
[<Atom
  {name: 'H',
   ID: 50,
   element: 'H',
   position: UnitNDArray([0., 0., 0.]) Ang,
   velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>
 <Atom
  {name: 'H',
   ID: 51,
   element: 'H',
   position: UnitNDArray([0.     , 1.63298, 0.     ]) Ang,
   velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>
 <Atom
  {name: 'O',
   ID: 52,
   element: 'O',
   position: UnitNDArray([0.     , 0.81649, 0.57736]) Ang,
   velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>          ...
 <Atom
  {name: 'H',
   ID: 1418,
   element: 'H',
   position: UnitNDArray([18.64285714, 18.64285714, 18.64285714]) Ang,
   velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>
 <Atom
  {name: 'H',
   ID: 1419,
   element: 'H',
   position: UnitNDArray([18.64285714, 20.27583714, 18.64285714]) Ang,
   velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>
 <Atom
  {name: 'O',
   ID: 1420,
   element: 'O',
   position: UnitNDArray([18.64285714, 19.45934714, 19.22021714]) Ang,
   velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>                     ]
[32]:
print('There are {0} molecules in the Universe:\n{1}'
      ''.format(universe.n_molecules, universe.molecule_list))
There are 343 molecules in the Universe:
[<Molecule
 {name: 'water',
  ID: 53,
  formula: 'H2O',
  position: UnitNDArray([0.        , 0.81649   , 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0., 0., 0.]) Ang,
  max: UnitNDArray([0.     , 1.63298, 0.57736]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 50,
  element: 'H',
  position: UnitNDArray([0., 0., 0.]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 51,
  element: 'H',
  position: UnitNDArray([0.     , 1.63298, 0.     ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 52,
  element: 'O',
  position: UnitNDArray([0.     , 0.81649, 0.57736]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 57,
  formula: 'H2O',
  position: UnitNDArray([0.        , 0.81649   , 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 0.        , 3.10714286]) Ang,
  max: UnitNDArray([0.        , 1.63298   , 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 54,
  element: 'H',
  position: UnitNDArray([0.        , 0.        , 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 55,
  element: 'H',
  position: UnitNDArray([0.        , 1.63298   , 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 56,
  element: 'O',
  position: UnitNDArray([0.        , 0.81649   , 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 61,
  formula: 'H2O',
  position: UnitNDArray([0.        , 0.81649   , 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 0.        , 6.21428571]) Ang,
  max: UnitNDArray([0.        , 1.63298   , 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 58,
  element: 'H',
  position: UnitNDArray([0.        , 0.        , 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 59,
  element: 'H',
  position: UnitNDArray([0.        , 1.63298   , 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 60,
  element: 'O',
  position: UnitNDArray([0.        , 0.81649   , 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 65,
  formula: 'H2O',
  position: UnitNDArray([0.        , 0.81649   , 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 0.        , 9.32142857]) Ang,
  max: UnitNDArray([0.        , 1.63298   , 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 62,
  element: 'H',
  position: UnitNDArray([0.        , 0.        , 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 63,
  element: 'H',
  position: UnitNDArray([0.        , 1.63298   , 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 64,
  element: 'O',
  position: UnitNDArray([0.        , 0.81649   , 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 69,
  formula: 'H2O',
  position: UnitNDArray([ 0.       ,  0.81649  , 12.9413222]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  0.        , 12.42857143]) Ang,
  max: UnitNDArray([ 0.        ,  1.63298   , 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 66,
  element: 'H',
  position: UnitNDArray([ 0.        ,  0.        , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 67,
  element: 'H',
  position: UnitNDArray([ 0.        ,  1.63298   , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 68,
  element: 'O',
  position: UnitNDArray([ 0.        ,  0.81649   , 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 73,
  formula: 'H2O',
  position: UnitNDArray([ 0.        ,  0.81649   , 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  0.        , 15.53571429]) Ang,
  max: UnitNDArray([ 0.        ,  1.63298   , 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 70,
  element: 'H',
  position: UnitNDArray([ 0.        ,  0.        , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 71,
  element: 'H',
  position: UnitNDArray([ 0.        ,  1.63298   , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 72,
  element: 'O',
  position: UnitNDArray([ 0.        ,  0.81649   , 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 77,
  formula: 'H2O',
  position: UnitNDArray([ 0.        ,  0.81649   , 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  0.        , 18.64285714]) Ang,
  max: UnitNDArray([ 0.        ,  1.63298   , 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 74,
  element: 'H',
  position: UnitNDArray([ 0.        ,  0.        , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 75,
  element: 'H',
  position: UnitNDArray([ 0.        ,  1.63298   , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 76,
  element: 'O',
  position: UnitNDArray([ 0.        ,  0.81649   , 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 81,
  formula: 'H2O',
  position: UnitNDArray([0.        , 3.92363286, 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 3.10714286, 0.        ]) Ang,
  max: UnitNDArray([0.        , 4.74012286, 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 78,
  element: 'H',
  position: UnitNDArray([0.        , 3.10714286, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 79,
  element: 'H',
  position: UnitNDArray([0.        , 4.74012286, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 80,
  element: 'O',
  position: UnitNDArray([0.        , 3.92363286, 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 85,
  formula: 'H2O',
  position: UnitNDArray([0.        , 3.92363286, 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 3.10714286, 3.10714286]) Ang,
  max: UnitNDArray([0.        , 4.74012286, 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 82,
  element: 'H',
  position: UnitNDArray([0.        , 3.10714286, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 83,
  element: 'H',
  position: UnitNDArray([0.        , 4.74012286, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 84,
  element: 'O',
  position: UnitNDArray([0.        , 3.92363286, 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 89,
  formula: 'H2O',
  position: UnitNDArray([0.        , 3.92363286, 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 3.10714286, 6.21428571]) Ang,
  max: UnitNDArray([0.        , 4.74012286, 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 86,
  element: 'H',
  position: UnitNDArray([0.        , 3.10714286, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 87,
  element: 'H',
  position: UnitNDArray([0.        , 4.74012286, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 88,
  element: 'O',
  position: UnitNDArray([0.        , 3.92363286, 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 93,
  formula: 'H2O',
  position: UnitNDArray([0.        , 3.92363286, 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 3.10714286, 9.32142857]) Ang,
  max: UnitNDArray([0.        , 4.74012286, 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 90,
  element: 'H',
  position: UnitNDArray([0.        , 3.10714286, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 91,
  element: 'H',
  position: UnitNDArray([0.        , 4.74012286, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 92,
  element: 'O',
  position: UnitNDArray([0.        , 3.92363286, 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 97,
  formula: 'H2O',
  position: UnitNDArray([ 0.        ,  3.92363286, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  3.10714286, 12.42857143]) Ang,
  max: UnitNDArray([ 0.        ,  4.74012286, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 94,
  element: 'H',
  position: UnitNDArray([ 0.        ,  3.10714286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 95,
  element: 'H',
  position: UnitNDArray([ 0.        ,  4.74012286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 96,
  element: 'O',
  position: UnitNDArray([ 0.        ,  3.92363286, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 101,
  formula: 'H2O',
  position: UnitNDArray([ 0.        ,  3.92363286, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  3.10714286, 15.53571429]) Ang,
  max: UnitNDArray([ 0.        ,  4.74012286, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 98,
  element: 'H',
  position: UnitNDArray([ 0.        ,  3.10714286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 99,
  element: 'H',
  position: UnitNDArray([ 0.        ,  4.74012286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 100,
  element: 'O',
  position: UnitNDArray([ 0.        ,  3.92363286, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 105,
  formula: 'H2O',
  position: UnitNDArray([ 0.        ,  3.92363286, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  3.10714286, 18.64285714]) Ang,
  max: UnitNDArray([ 0.        ,  4.74012286, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 102,
  element: 'H',
  position: UnitNDArray([ 0.        ,  3.10714286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 103,
  element: 'H',
  position: UnitNDArray([ 0.        ,  4.74012286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 104,
  element: 'O',
  position: UnitNDArray([ 0.        ,  3.92363286, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 109,
  formula: 'H2O',
  position: UnitNDArray([0.        , 7.03077571, 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 6.21428571, 0.        ]) Ang,
  max: UnitNDArray([0.        , 7.84726571, 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 106,
  element: 'H',
  position: UnitNDArray([0.        , 6.21428571, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 107,
  element: 'H',
  position: UnitNDArray([0.        , 7.84726571, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 108,
  element: 'O',
  position: UnitNDArray([0.        , 7.03077571, 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 113,
  formula: 'H2O',
  position: UnitNDArray([0.        , 7.03077571, 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 6.21428571, 3.10714286]) Ang,
  max: UnitNDArray([0.        , 7.84726571, 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 110,
  element: 'H',
  position: UnitNDArray([0.        , 6.21428571, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 111,
  element: 'H',
  position: UnitNDArray([0.        , 7.84726571, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 112,
  element: 'O',
  position: UnitNDArray([0.        , 7.03077571, 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 117,
  formula: 'H2O',
  position: UnitNDArray([0.        , 7.03077571, 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 6.21428571, 6.21428571]) Ang,
  max: UnitNDArray([0.        , 7.84726571, 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 114,
  element: 'H',
  position: UnitNDArray([0.        , 6.21428571, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 115,
  element: 'H',
  position: UnitNDArray([0.        , 7.84726571, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 116,
  element: 'O',
  position: UnitNDArray([0.        , 7.03077571, 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 121,
  formula: 'H2O',
  position: UnitNDArray([0.        , 7.03077571, 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 6.21428571, 9.32142857]) Ang,
  max: UnitNDArray([0.        , 7.84726571, 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 118,
  element: 'H',
  position: UnitNDArray([0.        , 6.21428571, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 119,
  element: 'H',
  position: UnitNDArray([0.        , 7.84726571, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 120,
  element: 'O',
  position: UnitNDArray([0.        , 7.03077571, 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 125,
  formula: 'H2O',
  position: UnitNDArray([ 0.        ,  7.03077571, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  6.21428571, 12.42857143]) Ang,
  max: UnitNDArray([ 0.        ,  7.84726571, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 122,
  element: 'H',
  position: UnitNDArray([ 0.        ,  6.21428571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 123,
  element: 'H',
  position: UnitNDArray([ 0.        ,  7.84726571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 124,
  element: 'O',
  position: UnitNDArray([ 0.        ,  7.03077571, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 129,
  formula: 'H2O',
  position: UnitNDArray([ 0.        ,  7.03077571, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  6.21428571, 15.53571429]) Ang,
  max: UnitNDArray([ 0.        ,  7.84726571, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 126,
  element: 'H',
  position: UnitNDArray([ 0.        ,  6.21428571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 127,
  element: 'H',
  position: UnitNDArray([ 0.        ,  7.84726571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 128,
  element: 'O',
  position: UnitNDArray([ 0.        ,  7.03077571, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 133,
  formula: 'H2O',
  position: UnitNDArray([ 0.        ,  7.03077571, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  6.21428571, 18.64285714]) Ang,
  max: UnitNDArray([ 0.        ,  7.84726571, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 130,
  element: 'H',
  position: UnitNDArray([ 0.        ,  6.21428571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 131,
  element: 'H',
  position: UnitNDArray([ 0.        ,  7.84726571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 132,
  element: 'O',
  position: UnitNDArray([ 0.        ,  7.03077571, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 137,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 10.13791857,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 9.32142857, 0.        ]) Ang,
  max: UnitNDArray([ 0.        , 10.95440857,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 134,
  element: 'H',
  position: UnitNDArray([0.        , 9.32142857, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 135,
  element: 'H',
  position: UnitNDArray([ 0.        , 10.95440857,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 136,
  element: 'O',
  position: UnitNDArray([ 0.        , 10.13791857,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 141,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 10.13791857,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 9.32142857, 3.10714286]) Ang,
  max: UnitNDArray([ 0.        , 10.95440857,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 138,
  element: 'H',
  position: UnitNDArray([0.        , 9.32142857, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 139,
  element: 'H',
  position: UnitNDArray([ 0.        , 10.95440857,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 140,
  element: 'O',
  position: UnitNDArray([ 0.        , 10.13791857,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 145,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 10.13791857,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 9.32142857, 6.21428571]) Ang,
  max: UnitNDArray([ 0.        , 10.95440857,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 142,
  element: 'H',
  position: UnitNDArray([0.        , 9.32142857, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 143,
  element: 'H',
  position: UnitNDArray([ 0.        , 10.95440857,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 144,
  element: 'O',
  position: UnitNDArray([ 0.        , 10.13791857,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 149,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 10.13791857,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([0.        , 9.32142857, 9.32142857]) Ang,
  max: UnitNDArray([ 0.        , 10.95440857,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 146,
  element: 'H',
  position: UnitNDArray([0.        , 9.32142857, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 147,
  element: 'H',
  position: UnitNDArray([ 0.        , 10.95440857,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 148,
  element: 'O',
  position: UnitNDArray([ 0.        , 10.13791857,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 153,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 10.13791857, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  9.32142857, 12.42857143]) Ang,
  max: UnitNDArray([ 0.        , 10.95440857, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 150,
  element: 'H',
  position: UnitNDArray([ 0.        ,  9.32142857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 151,
  element: 'H',
  position: UnitNDArray([ 0.        , 10.95440857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 152,
  element: 'O',
  position: UnitNDArray([ 0.        , 10.13791857, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 157,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 10.13791857, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  9.32142857, 15.53571429]) Ang,
  max: UnitNDArray([ 0.        , 10.95440857, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 154,
  element: 'H',
  position: UnitNDArray([ 0.        ,  9.32142857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 155,
  element: 'H',
  position: UnitNDArray([ 0.        , 10.95440857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 156,
  element: 'O',
  position: UnitNDArray([ 0.        , 10.13791857, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 161,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 10.13791857, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        ,  9.32142857, 18.64285714]) Ang,
  max: UnitNDArray([ 0.        , 10.95440857, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 158,
  element: 'H',
  position: UnitNDArray([ 0.        ,  9.32142857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 159,
  element: 'H',
  position: UnitNDArray([ 0.        , 10.95440857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 160,
  element: 'O',
  position: UnitNDArray([ 0.        , 10.13791857, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 165,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 13.24506143,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 12.42857143,  0.        ]) Ang,
  max: UnitNDArray([ 0.        , 14.06155143,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 162,
  element: 'H',
  position: UnitNDArray([ 0.        , 12.42857143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 163,
  element: 'H',
  position: UnitNDArray([ 0.        , 14.06155143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 164,
  element: 'O',
  position: UnitNDArray([ 0.        , 13.24506143,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 169,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 13.24506143,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 12.42857143,  3.10714286]) Ang,
  max: UnitNDArray([ 0.        , 14.06155143,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 166,
  element: 'H',
  position: UnitNDArray([ 0.        , 12.42857143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 167,
  element: 'H',
  position: UnitNDArray([ 0.        , 14.06155143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 168,
  element: 'O',
  position: UnitNDArray([ 0.        , 13.24506143,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 173,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 13.24506143,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 12.42857143,  6.21428571]) Ang,
  max: UnitNDArray([ 0.        , 14.06155143,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 170,
  element: 'H',
  position: UnitNDArray([ 0.        , 12.42857143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 171,
  element: 'H',
  position: UnitNDArray([ 0.        , 14.06155143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 172,
  element: 'O',
  position: UnitNDArray([ 0.        , 13.24506143,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 177,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 13.24506143,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 12.42857143,  9.32142857]) Ang,
  max: UnitNDArray([ 0.        , 14.06155143,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 174,
  element: 'H',
  position: UnitNDArray([ 0.        , 12.42857143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 175,
  element: 'H',
  position: UnitNDArray([ 0.        , 14.06155143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 176,
  element: 'O',
  position: UnitNDArray([ 0.        , 13.24506143,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 181,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 13.24506143, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 12.42857143, 12.42857143]) Ang,
  max: UnitNDArray([ 0.        , 14.06155143, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 178,
  element: 'H',
  position: UnitNDArray([ 0.        , 12.42857143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 179,
  element: 'H',
  position: UnitNDArray([ 0.        , 14.06155143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 180,
  element: 'O',
  position: UnitNDArray([ 0.        , 13.24506143, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 185,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 13.24506143, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 12.42857143, 15.53571429]) Ang,
  max: UnitNDArray([ 0.        , 14.06155143, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 182,
  element: 'H',
  position: UnitNDArray([ 0.        , 12.42857143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 183,
  element: 'H',
  position: UnitNDArray([ 0.        , 14.06155143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 184,
  element: 'O',
  position: UnitNDArray([ 0.        , 13.24506143, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 189,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 13.24506143, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 12.42857143, 18.64285714]) Ang,
  max: UnitNDArray([ 0.        , 14.06155143, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 186,
  element: 'H',
  position: UnitNDArray([ 0.        , 12.42857143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 187,
  element: 'H',
  position: UnitNDArray([ 0.        , 14.06155143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 188,
  element: 'O',
  position: UnitNDArray([ 0.        , 13.24506143, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 193,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 16.35220429,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 15.53571429,  0.        ]) Ang,
  max: UnitNDArray([ 0.        , 17.16869429,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 190,
  element: 'H',
  position: UnitNDArray([ 0.        , 15.53571429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 191,
  element: 'H',
  position: UnitNDArray([ 0.        , 17.16869429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 192,
  element: 'O',
  position: UnitNDArray([ 0.        , 16.35220429,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 197,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 16.35220429,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 15.53571429,  3.10714286]) Ang,
  max: UnitNDArray([ 0.        , 17.16869429,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 194,
  element: 'H',
  position: UnitNDArray([ 0.        , 15.53571429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 195,
  element: 'H',
  position: UnitNDArray([ 0.        , 17.16869429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 196,
  element: 'O',
  position: UnitNDArray([ 0.        , 16.35220429,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 201,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 16.35220429,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 15.53571429,  6.21428571]) Ang,
  max: UnitNDArray([ 0.        , 17.16869429,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 198,
  element: 'H',
  position: UnitNDArray([ 0.        , 15.53571429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 199,
  element: 'H',
  position: UnitNDArray([ 0.        , 17.16869429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 200,
  element: 'O',
  position: UnitNDArray([ 0.        , 16.35220429,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 205,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 16.35220429,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 15.53571429,  9.32142857]) Ang,
  max: UnitNDArray([ 0.        , 17.16869429,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 202,
  element: 'H',
  position: UnitNDArray([ 0.        , 15.53571429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 203,
  element: 'H',
  position: UnitNDArray([ 0.        , 17.16869429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 204,
  element: 'O',
  position: UnitNDArray([ 0.        , 16.35220429,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 209,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 16.35220429, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 15.53571429, 12.42857143]) Ang,
  max: UnitNDArray([ 0.        , 17.16869429, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 206,
  element: 'H',
  position: UnitNDArray([ 0.        , 15.53571429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 207,
  element: 'H',
  position: UnitNDArray([ 0.        , 17.16869429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 208,
  element: 'O',
  position: UnitNDArray([ 0.        , 16.35220429, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 213,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 16.35220429, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 15.53571429, 15.53571429]) Ang,
  max: UnitNDArray([ 0.        , 17.16869429, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 210,
  element: 'H',
  position: UnitNDArray([ 0.        , 15.53571429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 211,
  element: 'H',
  position: UnitNDArray([ 0.        , 17.16869429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 212,
  element: 'O',
  position: UnitNDArray([ 0.        , 16.35220429, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 217,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 16.35220429, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 15.53571429, 18.64285714]) Ang,
  max: UnitNDArray([ 0.        , 17.16869429, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 214,
  element: 'H',
  position: UnitNDArray([ 0.        , 15.53571429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 215,
  element: 'H',
  position: UnitNDArray([ 0.        , 17.16869429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 216,
  element: 'O',
  position: UnitNDArray([ 0.        , 16.35220429, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 221,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 19.45934714,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 18.64285714,  0.        ]) Ang,
  max: UnitNDArray([ 0.        , 20.27583714,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 218,
  element: 'H',
  position: UnitNDArray([ 0.        , 18.64285714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 219,
  element: 'H',
  position: UnitNDArray([ 0.        , 20.27583714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 220,
  element: 'O',
  position: UnitNDArray([ 0.        , 19.45934714,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 225,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 19.45934714,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 18.64285714,  3.10714286]) Ang,
  max: UnitNDArray([ 0.        , 20.27583714,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 222,
  element: 'H',
  position: UnitNDArray([ 0.        , 18.64285714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 223,
  element: 'H',
  position: UnitNDArray([ 0.        , 20.27583714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 224,
  element: 'O',
  position: UnitNDArray([ 0.        , 19.45934714,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 229,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 19.45934714,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 18.64285714,  6.21428571]) Ang,
  max: UnitNDArray([ 0.        , 20.27583714,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 226,
  element: 'H',
  position: UnitNDArray([ 0.        , 18.64285714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 227,
  element: 'H',
  position: UnitNDArray([ 0.        , 20.27583714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 228,
  element: 'O',
  position: UnitNDArray([ 0.        , 19.45934714,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 233,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 19.45934714,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 18.64285714,  9.32142857]) Ang,
  max: UnitNDArray([ 0.        , 20.27583714,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 230,
  element: 'H',
  position: UnitNDArray([ 0.        , 18.64285714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 231,
  element: 'H',
  position: UnitNDArray([ 0.        , 20.27583714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 232,
  element: 'O',
  position: UnitNDArray([ 0.        , 19.45934714,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 237,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 19.45934714, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 18.64285714, 12.42857143]) Ang,
  max: UnitNDArray([ 0.        , 20.27583714, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 234,
  element: 'H',
  position: UnitNDArray([ 0.        , 18.64285714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 235,
  element: 'H',
  position: UnitNDArray([ 0.        , 20.27583714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 236,
  element: 'O',
  position: UnitNDArray([ 0.        , 19.45934714, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 241,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 19.45934714, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 18.64285714, 15.53571429]) Ang,
  max: UnitNDArray([ 0.        , 20.27583714, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 238,
  element: 'H',
  position: UnitNDArray([ 0.        , 18.64285714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 239,
  element: 'H',
  position: UnitNDArray([ 0.        , 20.27583714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 240,
  element: 'O',
  position: UnitNDArray([ 0.        , 19.45934714, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 245,
  formula: 'H2O',
  position: UnitNDArray([ 0.        , 19.45934714, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 0.        , 18.64285714, 18.64285714]) Ang,
  max: UnitNDArray([ 0.        , 20.27583714, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 242,
  element: 'H',
  position: UnitNDArray([ 0.        , 18.64285714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 243,
  element: 'H',
  position: UnitNDArray([ 0.        , 20.27583714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 244,
  element: 'O',
  position: UnitNDArray([ 0.        , 19.45934714, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 249,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 0.81649   , 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 0.        , 0.        ]) Ang,
  max: UnitNDArray([3.10714286, 1.63298   , 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 246,
  element: 'H',
  position: UnitNDArray([3.10714286, 0.        , 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 247,
  element: 'H',
  position: UnitNDArray([3.10714286, 1.63298   , 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 248,
  element: 'O',
  position: UnitNDArray([3.10714286, 0.81649   , 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 253,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 0.81649   , 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 0.        , 3.10714286]) Ang,
  max: UnitNDArray([3.10714286, 1.63298   , 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 250,
  element: 'H',
  position: UnitNDArray([3.10714286, 0.        , 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 251,
  element: 'H',
  position: UnitNDArray([3.10714286, 1.63298   , 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 252,
  element: 'O',
  position: UnitNDArray([3.10714286, 0.81649   , 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 257,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 0.81649   , 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 0.        , 6.21428571]) Ang,
  max: UnitNDArray([3.10714286, 1.63298   , 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 254,
  element: 'H',
  position: UnitNDArray([3.10714286, 0.        , 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 255,
  element: 'H',
  position: UnitNDArray([3.10714286, 1.63298   , 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 256,
  element: 'O',
  position: UnitNDArray([3.10714286, 0.81649   , 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 261,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 0.81649   , 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 0.        , 9.32142857]) Ang,
  max: UnitNDArray([3.10714286, 1.63298   , 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 258,
  element: 'H',
  position: UnitNDArray([3.10714286, 0.        , 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 259,
  element: 'H',
  position: UnitNDArray([3.10714286, 1.63298   , 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 260,
  element: 'O',
  position: UnitNDArray([3.10714286, 0.81649   , 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 265,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286,  0.81649   , 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  0.        , 12.42857143]) Ang,
  max: UnitNDArray([ 3.10714286,  1.63298   , 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 262,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  0.        , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 263,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  1.63298   , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 264,
  element: 'O',
  position: UnitNDArray([ 3.10714286,  0.81649   , 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 269,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286,  0.81649   , 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  0.        , 15.53571429]) Ang,
  max: UnitNDArray([ 3.10714286,  1.63298   , 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 266,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  0.        , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 267,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  1.63298   , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 268,
  element: 'O',
  position: UnitNDArray([ 3.10714286,  0.81649   , 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 273,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286,  0.81649   , 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  0.        , 18.64285714]) Ang,
  max: UnitNDArray([ 3.10714286,  1.63298   , 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 270,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  0.        , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 271,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  1.63298   , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 272,
  element: 'O',
  position: UnitNDArray([ 3.10714286,  0.81649   , 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 277,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 3.92363286, 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 3.10714286, 0.        ]) Ang,
  max: UnitNDArray([3.10714286, 4.74012286, 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 274,
  element: 'H',
  position: UnitNDArray([3.10714286, 3.10714286, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 275,
  element: 'H',
  position: UnitNDArray([3.10714286, 4.74012286, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 276,
  element: 'O',
  position: UnitNDArray([3.10714286, 3.92363286, 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 281,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 3.92363286, 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 3.10714286, 3.10714286]) Ang,
  max: UnitNDArray([3.10714286, 4.74012286, 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 278,
  element: 'H',
  position: UnitNDArray([3.10714286, 3.10714286, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 279,
  element: 'H',
  position: UnitNDArray([3.10714286, 4.74012286, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 280,
  element: 'O',
  position: UnitNDArray([3.10714286, 3.92363286, 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 285,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 3.92363286, 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 3.10714286, 6.21428571]) Ang,
  max: UnitNDArray([3.10714286, 4.74012286, 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 282,
  element: 'H',
  position: UnitNDArray([3.10714286, 3.10714286, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 283,
  element: 'H',
  position: UnitNDArray([3.10714286, 4.74012286, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 284,
  element: 'O',
  position: UnitNDArray([3.10714286, 3.92363286, 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 289,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 3.92363286, 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 3.10714286, 9.32142857]) Ang,
  max: UnitNDArray([3.10714286, 4.74012286, 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 286,
  element: 'H',
  position: UnitNDArray([3.10714286, 3.10714286, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 287,
  element: 'H',
  position: UnitNDArray([3.10714286, 4.74012286, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 288,
  element: 'O',
  position: UnitNDArray([3.10714286, 3.92363286, 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 293,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286,  3.92363286, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  3.10714286, 12.42857143]) Ang,
  max: UnitNDArray([ 3.10714286,  4.74012286, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 290,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  3.10714286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 291,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  4.74012286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 292,
  element: 'O',
  position: UnitNDArray([ 3.10714286,  3.92363286, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 297,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286,  3.92363286, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  3.10714286, 15.53571429]) Ang,
  max: UnitNDArray([ 3.10714286,  4.74012286, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 294,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  3.10714286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 295,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  4.74012286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 296,
  element: 'O',
  position: UnitNDArray([ 3.10714286,  3.92363286, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 301,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286,  3.92363286, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  3.10714286, 18.64285714]) Ang,
  max: UnitNDArray([ 3.10714286,  4.74012286, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 298,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  3.10714286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 299,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  4.74012286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 300,
  element: 'O',
  position: UnitNDArray([ 3.10714286,  3.92363286, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 305,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 7.03077571, 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 6.21428571, 0.        ]) Ang,
  max: UnitNDArray([3.10714286, 7.84726571, 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 302,
  element: 'H',
  position: UnitNDArray([3.10714286, 6.21428571, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 303,
  element: 'H',
  position: UnitNDArray([3.10714286, 7.84726571, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 304,
  element: 'O',
  position: UnitNDArray([3.10714286, 7.03077571, 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 309,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 7.03077571, 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 6.21428571, 3.10714286]) Ang,
  max: UnitNDArray([3.10714286, 7.84726571, 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 306,
  element: 'H',
  position: UnitNDArray([3.10714286, 6.21428571, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 307,
  element: 'H',
  position: UnitNDArray([3.10714286, 7.84726571, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 308,
  element: 'O',
  position: UnitNDArray([3.10714286, 7.03077571, 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 313,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 7.03077571, 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 6.21428571, 6.21428571]) Ang,
  max: UnitNDArray([3.10714286, 7.84726571, 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 310,
  element: 'H',
  position: UnitNDArray([3.10714286, 6.21428571, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 311,
  element: 'H',
  position: UnitNDArray([3.10714286, 7.84726571, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 312,
  element: 'O',
  position: UnitNDArray([3.10714286, 7.03077571, 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 317,
  formula: 'H2O',
  position: UnitNDArray([3.10714286, 7.03077571, 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 6.21428571, 9.32142857]) Ang,
  max: UnitNDArray([3.10714286, 7.84726571, 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 314,
  element: 'H',
  position: UnitNDArray([3.10714286, 6.21428571, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 315,
  element: 'H',
  position: UnitNDArray([3.10714286, 7.84726571, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 316,
  element: 'O',
  position: UnitNDArray([3.10714286, 7.03077571, 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 321,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286,  7.03077571, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  6.21428571, 12.42857143]) Ang,
  max: UnitNDArray([ 3.10714286,  7.84726571, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 318,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  6.21428571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 319,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  7.84726571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 320,
  element: 'O',
  position: UnitNDArray([ 3.10714286,  7.03077571, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 325,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286,  7.03077571, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  6.21428571, 15.53571429]) Ang,
  max: UnitNDArray([ 3.10714286,  7.84726571, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 322,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  6.21428571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 323,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  7.84726571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 324,
  element: 'O',
  position: UnitNDArray([ 3.10714286,  7.03077571, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 329,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286,  7.03077571, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  6.21428571, 18.64285714]) Ang,
  max: UnitNDArray([ 3.10714286,  7.84726571, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 326,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  6.21428571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 327,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  7.84726571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 328,
  element: 'O',
  position: UnitNDArray([ 3.10714286,  7.03077571, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 333,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 10.13791857,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 9.32142857, 0.        ]) Ang,
  max: UnitNDArray([ 3.10714286, 10.95440857,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 330,
  element: 'H',
  position: UnitNDArray([3.10714286, 9.32142857, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 331,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 10.95440857,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 332,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 10.13791857,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 337,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 10.13791857,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 9.32142857, 3.10714286]) Ang,
  max: UnitNDArray([ 3.10714286, 10.95440857,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 334,
  element: 'H',
  position: UnitNDArray([3.10714286, 9.32142857, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 335,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 10.95440857,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 336,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 10.13791857,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 341,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 10.13791857,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 9.32142857, 6.21428571]) Ang,
  max: UnitNDArray([ 3.10714286, 10.95440857,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 338,
  element: 'H',
  position: UnitNDArray([3.10714286, 9.32142857, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 339,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 10.95440857,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 340,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 10.13791857,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 345,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 10.13791857,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([3.10714286, 9.32142857, 9.32142857]) Ang,
  max: UnitNDArray([ 3.10714286, 10.95440857,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 342,
  element: 'H',
  position: UnitNDArray([3.10714286, 9.32142857, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 343,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 10.95440857,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 344,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 10.13791857,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 349,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 10.13791857, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  9.32142857, 12.42857143]) Ang,
  max: UnitNDArray([ 3.10714286, 10.95440857, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 346,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  9.32142857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 347,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 10.95440857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 348,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 10.13791857, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 353,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 10.13791857, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  9.32142857, 15.53571429]) Ang,
  max: UnitNDArray([ 3.10714286, 10.95440857, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 350,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  9.32142857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 351,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 10.95440857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 352,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 10.13791857, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 357,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 10.13791857, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286,  9.32142857, 18.64285714]) Ang,
  max: UnitNDArray([ 3.10714286, 10.95440857, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 354,
  element: 'H',
  position: UnitNDArray([ 3.10714286,  9.32142857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 355,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 10.95440857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 356,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 10.13791857, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 361,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 13.24506143,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 12.42857143,  0.        ]) Ang,
  max: UnitNDArray([ 3.10714286, 14.06155143,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 358,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 12.42857143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 359,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 14.06155143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 360,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 13.24506143,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 365,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 13.24506143,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 12.42857143,  3.10714286]) Ang,
  max: UnitNDArray([ 3.10714286, 14.06155143,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 362,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 12.42857143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 363,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 14.06155143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 364,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 13.24506143,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 369,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 13.24506143,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 12.42857143,  6.21428571]) Ang,
  max: UnitNDArray([ 3.10714286, 14.06155143,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 366,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 12.42857143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 367,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 14.06155143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 368,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 13.24506143,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 373,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 13.24506143,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 12.42857143,  9.32142857]) Ang,
  max: UnitNDArray([ 3.10714286, 14.06155143,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 370,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 12.42857143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 371,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 14.06155143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 372,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 13.24506143,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 377,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 13.24506143, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 12.42857143, 12.42857143]) Ang,
  max: UnitNDArray([ 3.10714286, 14.06155143, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 374,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 12.42857143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 375,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 14.06155143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 376,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 13.24506143, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 381,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 13.24506143, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 12.42857143, 15.53571429]) Ang,
  max: UnitNDArray([ 3.10714286, 14.06155143, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 378,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 12.42857143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 379,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 14.06155143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 380,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 13.24506143, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 385,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 13.24506143, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 12.42857143, 18.64285714]) Ang,
  max: UnitNDArray([ 3.10714286, 14.06155143, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 382,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 12.42857143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 383,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 14.06155143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 384,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 13.24506143, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 389,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 16.35220429,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 15.53571429,  0.        ]) Ang,
  max: UnitNDArray([ 3.10714286, 17.16869429,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 386,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 15.53571429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 387,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 17.16869429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 388,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 16.35220429,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 393,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 16.35220429,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 15.53571429,  3.10714286]) Ang,
  max: UnitNDArray([ 3.10714286, 17.16869429,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 390,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 15.53571429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 391,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 17.16869429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 392,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 16.35220429,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 397,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 16.35220429,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 15.53571429,  6.21428571]) Ang,
  max: UnitNDArray([ 3.10714286, 17.16869429,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 394,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 15.53571429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 395,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 17.16869429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 396,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 16.35220429,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 401,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 16.35220429,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 15.53571429,  9.32142857]) Ang,
  max: UnitNDArray([ 3.10714286, 17.16869429,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 398,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 15.53571429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 399,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 17.16869429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 400,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 16.35220429,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 405,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 16.35220429, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 15.53571429, 12.42857143]) Ang,
  max: UnitNDArray([ 3.10714286, 17.16869429, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 402,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 15.53571429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 403,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 17.16869429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 404,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 16.35220429, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 409,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 16.35220429, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 15.53571429, 15.53571429]) Ang,
  max: UnitNDArray([ 3.10714286, 17.16869429, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 406,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 15.53571429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 407,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 17.16869429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 408,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 16.35220429, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 413,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 16.35220429, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 15.53571429, 18.64285714]) Ang,
  max: UnitNDArray([ 3.10714286, 17.16869429, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 410,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 15.53571429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 411,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 17.16869429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 412,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 16.35220429, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 417,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 19.45934714,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 18.64285714,  0.        ]) Ang,
  max: UnitNDArray([ 3.10714286, 20.27583714,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 414,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 18.64285714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 415,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 20.27583714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 416,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 19.45934714,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 421,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 19.45934714,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 18.64285714,  3.10714286]) Ang,
  max: UnitNDArray([ 3.10714286, 20.27583714,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 418,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 18.64285714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 419,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 20.27583714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 420,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 19.45934714,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 425,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 19.45934714,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 18.64285714,  6.21428571]) Ang,
  max: UnitNDArray([ 3.10714286, 20.27583714,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 422,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 18.64285714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 423,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 20.27583714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 424,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 19.45934714,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 429,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 19.45934714,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 18.64285714,  9.32142857]) Ang,
  max: UnitNDArray([ 3.10714286, 20.27583714,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 426,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 18.64285714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 427,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 20.27583714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 428,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 19.45934714,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 433,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 19.45934714, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 18.64285714, 12.42857143]) Ang,
  max: UnitNDArray([ 3.10714286, 20.27583714, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 430,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 18.64285714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 431,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 20.27583714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 432,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 19.45934714, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 437,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 19.45934714, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 18.64285714, 15.53571429]) Ang,
  max: UnitNDArray([ 3.10714286, 20.27583714, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 434,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 18.64285714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 435,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 20.27583714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 436,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 19.45934714, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 441,
  formula: 'H2O',
  position: UnitNDArray([ 3.10714286, 19.45934714, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 3.10714286, 18.64285714, 18.64285714]) Ang,
  max: UnitNDArray([ 3.10714286, 20.27583714, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 438,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 18.64285714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 439,
  element: 'H',
  position: UnitNDArray([ 3.10714286, 20.27583714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 440,
  element: 'O',
  position: UnitNDArray([ 3.10714286, 19.45934714, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 445,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 0.81649   , 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 0.        , 0.        ]) Ang,
  max: UnitNDArray([6.21428571, 1.63298   , 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 442,
  element: 'H',
  position: UnitNDArray([6.21428571, 0.        , 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 443,
  element: 'H',
  position: UnitNDArray([6.21428571, 1.63298   , 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 444,
  element: 'O',
  position: UnitNDArray([6.21428571, 0.81649   , 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 449,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 0.81649   , 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 0.        , 3.10714286]) Ang,
  max: UnitNDArray([6.21428571, 1.63298   , 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 446,
  element: 'H',
  position: UnitNDArray([6.21428571, 0.        , 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 447,
  element: 'H',
  position: UnitNDArray([6.21428571, 1.63298   , 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 448,
  element: 'O',
  position: UnitNDArray([6.21428571, 0.81649   , 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 453,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 0.81649   , 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 0.        , 6.21428571]) Ang,
  max: UnitNDArray([6.21428571, 1.63298   , 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 450,
  element: 'H',
  position: UnitNDArray([6.21428571, 0.        , 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 451,
  element: 'H',
  position: UnitNDArray([6.21428571, 1.63298   , 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 452,
  element: 'O',
  position: UnitNDArray([6.21428571, 0.81649   , 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 457,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 0.81649   , 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 0.        , 9.32142857]) Ang,
  max: UnitNDArray([6.21428571, 1.63298   , 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 454,
  element: 'H',
  position: UnitNDArray([6.21428571, 0.        , 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 455,
  element: 'H',
  position: UnitNDArray([6.21428571, 1.63298   , 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 456,
  element: 'O',
  position: UnitNDArray([6.21428571, 0.81649   , 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 461,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571,  0.81649   , 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  0.        , 12.42857143]) Ang,
  max: UnitNDArray([ 6.21428571,  1.63298   , 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 458,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  0.        , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 459,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  1.63298   , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 460,
  element: 'O',
  position: UnitNDArray([ 6.21428571,  0.81649   , 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 465,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571,  0.81649   , 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  0.        , 15.53571429]) Ang,
  max: UnitNDArray([ 6.21428571,  1.63298   , 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 462,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  0.        , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 463,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  1.63298   , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 464,
  element: 'O',
  position: UnitNDArray([ 6.21428571,  0.81649   , 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 469,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571,  0.81649   , 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  0.        , 18.64285714]) Ang,
  max: UnitNDArray([ 6.21428571,  1.63298   , 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 466,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  0.        , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 467,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  1.63298   , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 468,
  element: 'O',
  position: UnitNDArray([ 6.21428571,  0.81649   , 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 473,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 3.92363286, 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 3.10714286, 0.        ]) Ang,
  max: UnitNDArray([6.21428571, 4.74012286, 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 470,
  element: 'H',
  position: UnitNDArray([6.21428571, 3.10714286, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 471,
  element: 'H',
  position: UnitNDArray([6.21428571, 4.74012286, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 472,
  element: 'O',
  position: UnitNDArray([6.21428571, 3.92363286, 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 477,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 3.92363286, 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 3.10714286, 3.10714286]) Ang,
  max: UnitNDArray([6.21428571, 4.74012286, 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 474,
  element: 'H',
  position: UnitNDArray([6.21428571, 3.10714286, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 475,
  element: 'H',
  position: UnitNDArray([6.21428571, 4.74012286, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 476,
  element: 'O',
  position: UnitNDArray([6.21428571, 3.92363286, 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 481,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 3.92363286, 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 3.10714286, 6.21428571]) Ang,
  max: UnitNDArray([6.21428571, 4.74012286, 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 478,
  element: 'H',
  position: UnitNDArray([6.21428571, 3.10714286, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 479,
  element: 'H',
  position: UnitNDArray([6.21428571, 4.74012286, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 480,
  element: 'O',
  position: UnitNDArray([6.21428571, 3.92363286, 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 485,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 3.92363286, 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 3.10714286, 9.32142857]) Ang,
  max: UnitNDArray([6.21428571, 4.74012286, 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 482,
  element: 'H',
  position: UnitNDArray([6.21428571, 3.10714286, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 483,
  element: 'H',
  position: UnitNDArray([6.21428571, 4.74012286, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 484,
  element: 'O',
  position: UnitNDArray([6.21428571, 3.92363286, 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 489,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571,  3.92363286, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  3.10714286, 12.42857143]) Ang,
  max: UnitNDArray([ 6.21428571,  4.74012286, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 486,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  3.10714286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 487,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  4.74012286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 488,
  element: 'O',
  position: UnitNDArray([ 6.21428571,  3.92363286, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 493,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571,  3.92363286, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  3.10714286, 15.53571429]) Ang,
  max: UnitNDArray([ 6.21428571,  4.74012286, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 490,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  3.10714286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 491,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  4.74012286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 492,
  element: 'O',
  position: UnitNDArray([ 6.21428571,  3.92363286, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 497,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571,  3.92363286, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  3.10714286, 18.64285714]) Ang,
  max: UnitNDArray([ 6.21428571,  4.74012286, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 494,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  3.10714286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 495,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  4.74012286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 496,
  element: 'O',
  position: UnitNDArray([ 6.21428571,  3.92363286, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 501,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 7.03077571, 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 6.21428571, 0.        ]) Ang,
  max: UnitNDArray([6.21428571, 7.84726571, 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 498,
  element: 'H',
  position: UnitNDArray([6.21428571, 6.21428571, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 499,
  element: 'H',
  position: UnitNDArray([6.21428571, 7.84726571, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 500,
  element: 'O',
  position: UnitNDArray([6.21428571, 7.03077571, 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 505,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 7.03077571, 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 6.21428571, 3.10714286]) Ang,
  max: UnitNDArray([6.21428571, 7.84726571, 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 502,
  element: 'H',
  position: UnitNDArray([6.21428571, 6.21428571, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 503,
  element: 'H',
  position: UnitNDArray([6.21428571, 7.84726571, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 504,
  element: 'O',
  position: UnitNDArray([6.21428571, 7.03077571, 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 509,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 7.03077571, 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 6.21428571, 6.21428571]) Ang,
  max: UnitNDArray([6.21428571, 7.84726571, 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 506,
  element: 'H',
  position: UnitNDArray([6.21428571, 6.21428571, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 507,
  element: 'H',
  position: UnitNDArray([6.21428571, 7.84726571, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 508,
  element: 'O',
  position: UnitNDArray([6.21428571, 7.03077571, 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 513,
  formula: 'H2O',
  position: UnitNDArray([6.21428571, 7.03077571, 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 6.21428571, 9.32142857]) Ang,
  max: UnitNDArray([6.21428571, 7.84726571, 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 510,
  element: 'H',
  position: UnitNDArray([6.21428571, 6.21428571, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 511,
  element: 'H',
  position: UnitNDArray([6.21428571, 7.84726571, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 512,
  element: 'O',
  position: UnitNDArray([6.21428571, 7.03077571, 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 517,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571,  7.03077571, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  6.21428571, 12.42857143]) Ang,
  max: UnitNDArray([ 6.21428571,  7.84726571, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 514,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  6.21428571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 515,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  7.84726571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 516,
  element: 'O',
  position: UnitNDArray([ 6.21428571,  7.03077571, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 521,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571,  7.03077571, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  6.21428571, 15.53571429]) Ang,
  max: UnitNDArray([ 6.21428571,  7.84726571, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 518,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  6.21428571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 519,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  7.84726571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 520,
  element: 'O',
  position: UnitNDArray([ 6.21428571,  7.03077571, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 525,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571,  7.03077571, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  6.21428571, 18.64285714]) Ang,
  max: UnitNDArray([ 6.21428571,  7.84726571, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 522,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  6.21428571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 523,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  7.84726571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 524,
  element: 'O',
  position: UnitNDArray([ 6.21428571,  7.03077571, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 529,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 10.13791857,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 9.32142857, 0.        ]) Ang,
  max: UnitNDArray([ 6.21428571, 10.95440857,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 526,
  element: 'H',
  position: UnitNDArray([6.21428571, 9.32142857, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 527,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 10.95440857,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 528,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 10.13791857,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 533,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 10.13791857,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 9.32142857, 3.10714286]) Ang,
  max: UnitNDArray([ 6.21428571, 10.95440857,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 530,
  element: 'H',
  position: UnitNDArray([6.21428571, 9.32142857, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 531,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 10.95440857,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 532,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 10.13791857,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 537,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 10.13791857,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 9.32142857, 6.21428571]) Ang,
  max: UnitNDArray([ 6.21428571, 10.95440857,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 534,
  element: 'H',
  position: UnitNDArray([6.21428571, 9.32142857, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 535,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 10.95440857,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 536,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 10.13791857,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 541,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 10.13791857,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([6.21428571, 9.32142857, 9.32142857]) Ang,
  max: UnitNDArray([ 6.21428571, 10.95440857,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 538,
  element: 'H',
  position: UnitNDArray([6.21428571, 9.32142857, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 539,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 10.95440857,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 540,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 10.13791857,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 545,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 10.13791857, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  9.32142857, 12.42857143]) Ang,
  max: UnitNDArray([ 6.21428571, 10.95440857, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 542,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  9.32142857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 543,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 10.95440857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 544,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 10.13791857, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 549,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 10.13791857, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  9.32142857, 15.53571429]) Ang,
  max: UnitNDArray([ 6.21428571, 10.95440857, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 546,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  9.32142857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 547,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 10.95440857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 548,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 10.13791857, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 553,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 10.13791857, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571,  9.32142857, 18.64285714]) Ang,
  max: UnitNDArray([ 6.21428571, 10.95440857, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 550,
  element: 'H',
  position: UnitNDArray([ 6.21428571,  9.32142857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 551,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 10.95440857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 552,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 10.13791857, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 557,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 13.24506143,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 12.42857143,  0.        ]) Ang,
  max: UnitNDArray([ 6.21428571, 14.06155143,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 554,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 12.42857143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 555,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 14.06155143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 556,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 13.24506143,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 561,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 13.24506143,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 12.42857143,  3.10714286]) Ang,
  max: UnitNDArray([ 6.21428571, 14.06155143,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 558,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 12.42857143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 559,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 14.06155143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 560,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 13.24506143,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 565,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 13.24506143,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 12.42857143,  6.21428571]) Ang,
  max: UnitNDArray([ 6.21428571, 14.06155143,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 562,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 12.42857143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 563,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 14.06155143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 564,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 13.24506143,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 569,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 13.24506143,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 12.42857143,  9.32142857]) Ang,
  max: UnitNDArray([ 6.21428571, 14.06155143,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 566,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 12.42857143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 567,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 14.06155143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 568,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 13.24506143,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 573,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 13.24506143, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 12.42857143, 12.42857143]) Ang,
  max: UnitNDArray([ 6.21428571, 14.06155143, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 570,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 12.42857143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 571,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 14.06155143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 572,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 13.24506143, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 577,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 13.24506143, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 12.42857143, 15.53571429]) Ang,
  max: UnitNDArray([ 6.21428571, 14.06155143, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 574,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 12.42857143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 575,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 14.06155143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 576,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 13.24506143, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 581,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 13.24506143, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 12.42857143, 18.64285714]) Ang,
  max: UnitNDArray([ 6.21428571, 14.06155143, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 578,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 12.42857143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 579,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 14.06155143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 580,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 13.24506143, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 585,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 16.35220429,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 15.53571429,  0.        ]) Ang,
  max: UnitNDArray([ 6.21428571, 17.16869429,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 582,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 15.53571429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 583,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 17.16869429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 584,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 16.35220429,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 589,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 16.35220429,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 15.53571429,  3.10714286]) Ang,
  max: UnitNDArray([ 6.21428571, 17.16869429,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 586,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 15.53571429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 587,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 17.16869429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 588,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 16.35220429,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 593,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 16.35220429,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 15.53571429,  6.21428571]) Ang,
  max: UnitNDArray([ 6.21428571, 17.16869429,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 590,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 15.53571429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 591,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 17.16869429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 592,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 16.35220429,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 597,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 16.35220429,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 15.53571429,  9.32142857]) Ang,
  max: UnitNDArray([ 6.21428571, 17.16869429,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 594,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 15.53571429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 595,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 17.16869429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 596,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 16.35220429,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 601,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 16.35220429, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 15.53571429, 12.42857143]) Ang,
  max: UnitNDArray([ 6.21428571, 17.16869429, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 598,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 15.53571429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 599,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 17.16869429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 600,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 16.35220429, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 605,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 16.35220429, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 15.53571429, 15.53571429]) Ang,
  max: UnitNDArray([ 6.21428571, 17.16869429, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 602,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 15.53571429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 603,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 17.16869429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 604,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 16.35220429, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 609,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 16.35220429, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 15.53571429, 18.64285714]) Ang,
  max: UnitNDArray([ 6.21428571, 17.16869429, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 606,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 15.53571429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 607,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 17.16869429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 608,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 16.35220429, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 613,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 19.45934714,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 18.64285714,  0.        ]) Ang,
  max: UnitNDArray([ 6.21428571, 20.27583714,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 610,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 18.64285714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 611,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 20.27583714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 612,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 19.45934714,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 617,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 19.45934714,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 18.64285714,  3.10714286]) Ang,
  max: UnitNDArray([ 6.21428571, 20.27583714,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 614,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 18.64285714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 615,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 20.27583714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 616,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 19.45934714,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 621,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 19.45934714,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 18.64285714,  6.21428571]) Ang,
  max: UnitNDArray([ 6.21428571, 20.27583714,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 618,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 18.64285714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 619,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 20.27583714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 620,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 19.45934714,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 625,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 19.45934714,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 18.64285714,  9.32142857]) Ang,
  max: UnitNDArray([ 6.21428571, 20.27583714,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 622,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 18.64285714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 623,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 20.27583714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 624,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 19.45934714,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 629,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 19.45934714, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 18.64285714, 12.42857143]) Ang,
  max: UnitNDArray([ 6.21428571, 20.27583714, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 626,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 18.64285714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 627,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 20.27583714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 628,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 19.45934714, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 633,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 19.45934714, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 18.64285714, 15.53571429]) Ang,
  max: UnitNDArray([ 6.21428571, 20.27583714, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 630,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 18.64285714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 631,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 20.27583714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 632,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 19.45934714, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 637,
  formula: 'H2O',
  position: UnitNDArray([ 6.21428571, 19.45934714, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 6.21428571, 18.64285714, 18.64285714]) Ang,
  max: UnitNDArray([ 6.21428571, 20.27583714, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 634,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 18.64285714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 635,
  element: 'H',
  position: UnitNDArray([ 6.21428571, 20.27583714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 636,
  element: 'O',
  position: UnitNDArray([ 6.21428571, 19.45934714, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 641,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 0.81649   , 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 0.        , 0.        ]) Ang,
  max: UnitNDArray([9.32142857, 1.63298   , 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 638,
  element: 'H',
  position: UnitNDArray([9.32142857, 0.        , 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 639,
  element: 'H',
  position: UnitNDArray([9.32142857, 1.63298   , 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 640,
  element: 'O',
  position: UnitNDArray([9.32142857, 0.81649   , 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 645,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 0.81649   , 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 0.        , 3.10714286]) Ang,
  max: UnitNDArray([9.32142857, 1.63298   , 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 642,
  element: 'H',
  position: UnitNDArray([9.32142857, 0.        , 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 643,
  element: 'H',
  position: UnitNDArray([9.32142857, 1.63298   , 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 644,
  element: 'O',
  position: UnitNDArray([9.32142857, 0.81649   , 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 649,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 0.81649   , 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 0.        , 6.21428571]) Ang,
  max: UnitNDArray([9.32142857, 1.63298   , 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 646,
  element: 'H',
  position: UnitNDArray([9.32142857, 0.        , 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 647,
  element: 'H',
  position: UnitNDArray([9.32142857, 1.63298   , 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 648,
  element: 'O',
  position: UnitNDArray([9.32142857, 0.81649   , 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 653,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 0.81649   , 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 0.        , 9.32142857]) Ang,
  max: UnitNDArray([9.32142857, 1.63298   , 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 650,
  element: 'H',
  position: UnitNDArray([9.32142857, 0.        , 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 651,
  element: 'H',
  position: UnitNDArray([9.32142857, 1.63298   , 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 652,
  element: 'O',
  position: UnitNDArray([9.32142857, 0.81649   , 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 657,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857,  0.81649   , 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  0.        , 12.42857143]) Ang,
  max: UnitNDArray([ 9.32142857,  1.63298   , 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 654,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  0.        , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 655,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  1.63298   , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 656,
  element: 'O',
  position: UnitNDArray([ 9.32142857,  0.81649   , 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 661,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857,  0.81649   , 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  0.        , 15.53571429]) Ang,
  max: UnitNDArray([ 9.32142857,  1.63298   , 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 658,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  0.        , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 659,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  1.63298   , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 660,
  element: 'O',
  position: UnitNDArray([ 9.32142857,  0.81649   , 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 665,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857,  0.81649   , 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  0.        , 18.64285714]) Ang,
  max: UnitNDArray([ 9.32142857,  1.63298   , 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 662,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  0.        , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 663,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  1.63298   , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 664,
  element: 'O',
  position: UnitNDArray([ 9.32142857,  0.81649   , 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 669,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 3.92363286, 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 3.10714286, 0.        ]) Ang,
  max: UnitNDArray([9.32142857, 4.74012286, 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 666,
  element: 'H',
  position: UnitNDArray([9.32142857, 3.10714286, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 667,
  element: 'H',
  position: UnitNDArray([9.32142857, 4.74012286, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 668,
  element: 'O',
  position: UnitNDArray([9.32142857, 3.92363286, 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 673,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 3.92363286, 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 3.10714286, 3.10714286]) Ang,
  max: UnitNDArray([9.32142857, 4.74012286, 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 670,
  element: 'H',
  position: UnitNDArray([9.32142857, 3.10714286, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 671,
  element: 'H',
  position: UnitNDArray([9.32142857, 4.74012286, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 672,
  element: 'O',
  position: UnitNDArray([9.32142857, 3.92363286, 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 677,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 3.92363286, 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 3.10714286, 6.21428571]) Ang,
  max: UnitNDArray([9.32142857, 4.74012286, 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 674,
  element: 'H',
  position: UnitNDArray([9.32142857, 3.10714286, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 675,
  element: 'H',
  position: UnitNDArray([9.32142857, 4.74012286, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 676,
  element: 'O',
  position: UnitNDArray([9.32142857, 3.92363286, 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 681,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 3.92363286, 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 3.10714286, 9.32142857]) Ang,
  max: UnitNDArray([9.32142857, 4.74012286, 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 678,
  element: 'H',
  position: UnitNDArray([9.32142857, 3.10714286, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 679,
  element: 'H',
  position: UnitNDArray([9.32142857, 4.74012286, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 680,
  element: 'O',
  position: UnitNDArray([9.32142857, 3.92363286, 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 685,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857,  3.92363286, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  3.10714286, 12.42857143]) Ang,
  max: UnitNDArray([ 9.32142857,  4.74012286, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 682,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  3.10714286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 683,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  4.74012286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 684,
  element: 'O',
  position: UnitNDArray([ 9.32142857,  3.92363286, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 689,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857,  3.92363286, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  3.10714286, 15.53571429]) Ang,
  max: UnitNDArray([ 9.32142857,  4.74012286, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 686,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  3.10714286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 687,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  4.74012286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 688,
  element: 'O',
  position: UnitNDArray([ 9.32142857,  3.92363286, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 693,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857,  3.92363286, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  3.10714286, 18.64285714]) Ang,
  max: UnitNDArray([ 9.32142857,  4.74012286, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 690,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  3.10714286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 691,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  4.74012286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 692,
  element: 'O',
  position: UnitNDArray([ 9.32142857,  3.92363286, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 697,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 7.03077571, 0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 6.21428571, 0.        ]) Ang,
  max: UnitNDArray([9.32142857, 7.84726571, 0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 694,
  element: 'H',
  position: UnitNDArray([9.32142857, 6.21428571, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 695,
  element: 'H',
  position: UnitNDArray([9.32142857, 7.84726571, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 696,
  element: 'O',
  position: UnitNDArray([9.32142857, 7.03077571, 0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 701,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 7.03077571, 3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 6.21428571, 3.10714286]) Ang,
  max: UnitNDArray([9.32142857, 7.84726571, 3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 698,
  element: 'H',
  position: UnitNDArray([9.32142857, 6.21428571, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 699,
  element: 'H',
  position: UnitNDArray([9.32142857, 7.84726571, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 700,
  element: 'O',
  position: UnitNDArray([9.32142857, 7.03077571, 3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 705,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 7.03077571, 6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 6.21428571, 6.21428571]) Ang,
  max: UnitNDArray([9.32142857, 7.84726571, 6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 702,
  element: 'H',
  position: UnitNDArray([9.32142857, 6.21428571, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 703,
  element: 'H',
  position: UnitNDArray([9.32142857, 7.84726571, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 704,
  element: 'O',
  position: UnitNDArray([9.32142857, 7.03077571, 6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 709,
  formula: 'H2O',
  position: UnitNDArray([9.32142857, 7.03077571, 9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 6.21428571, 9.32142857]) Ang,
  max: UnitNDArray([9.32142857, 7.84726571, 9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 706,
  element: 'H',
  position: UnitNDArray([9.32142857, 6.21428571, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 707,
  element: 'H',
  position: UnitNDArray([9.32142857, 7.84726571, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 708,
  element: 'O',
  position: UnitNDArray([9.32142857, 7.03077571, 9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 713,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857,  7.03077571, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  6.21428571, 12.42857143]) Ang,
  max: UnitNDArray([ 9.32142857,  7.84726571, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 710,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  6.21428571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 711,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  7.84726571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 712,
  element: 'O',
  position: UnitNDArray([ 9.32142857,  7.03077571, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 717,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857,  7.03077571, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  6.21428571, 15.53571429]) Ang,
  max: UnitNDArray([ 9.32142857,  7.84726571, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 714,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  6.21428571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 715,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  7.84726571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 716,
  element: 'O',
  position: UnitNDArray([ 9.32142857,  7.03077571, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 721,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857,  7.03077571, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  6.21428571, 18.64285714]) Ang,
  max: UnitNDArray([ 9.32142857,  7.84726571, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 718,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  6.21428571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 719,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  7.84726571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 720,
  element: 'O',
  position: UnitNDArray([ 9.32142857,  7.03077571, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 725,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 10.13791857,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 9.32142857, 0.        ]) Ang,
  max: UnitNDArray([ 9.32142857, 10.95440857,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 722,
  element: 'H',
  position: UnitNDArray([9.32142857, 9.32142857, 0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 723,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 10.95440857,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 724,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 10.13791857,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 729,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 10.13791857,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 9.32142857, 3.10714286]) Ang,
  max: UnitNDArray([ 9.32142857, 10.95440857,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 726,
  element: 'H',
  position: UnitNDArray([9.32142857, 9.32142857, 3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 727,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 10.95440857,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 728,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 10.13791857,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 733,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 10.13791857,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 9.32142857, 6.21428571]) Ang,
  max: UnitNDArray([ 9.32142857, 10.95440857,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 730,
  element: 'H',
  position: UnitNDArray([9.32142857, 9.32142857, 6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 731,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 10.95440857,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 732,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 10.13791857,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 737,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 10.13791857,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([9.32142857, 9.32142857, 9.32142857]) Ang,
  max: UnitNDArray([ 9.32142857, 10.95440857,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 734,
  element: 'H',
  position: UnitNDArray([9.32142857, 9.32142857, 9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 735,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 10.95440857,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 736,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 10.13791857,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 741,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 10.13791857, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  9.32142857, 12.42857143]) Ang,
  max: UnitNDArray([ 9.32142857, 10.95440857, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 738,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  9.32142857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 739,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 10.95440857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 740,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 10.13791857, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 745,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 10.13791857, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  9.32142857, 15.53571429]) Ang,
  max: UnitNDArray([ 9.32142857, 10.95440857, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 742,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  9.32142857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 743,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 10.95440857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 744,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 10.13791857, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 749,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 10.13791857, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857,  9.32142857, 18.64285714]) Ang,
  max: UnitNDArray([ 9.32142857, 10.95440857, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 746,
  element: 'H',
  position: UnitNDArray([ 9.32142857,  9.32142857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 747,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 10.95440857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 748,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 10.13791857, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 753,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 13.24506143,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 12.42857143,  0.        ]) Ang,
  max: UnitNDArray([ 9.32142857, 14.06155143,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 750,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 12.42857143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 751,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 14.06155143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 752,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 13.24506143,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 757,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 13.24506143,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 12.42857143,  3.10714286]) Ang,
  max: UnitNDArray([ 9.32142857, 14.06155143,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 754,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 12.42857143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 755,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 14.06155143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 756,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 13.24506143,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 761,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 13.24506143,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 12.42857143,  6.21428571]) Ang,
  max: UnitNDArray([ 9.32142857, 14.06155143,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 758,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 12.42857143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 759,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 14.06155143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 760,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 13.24506143,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 765,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 13.24506143,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 12.42857143,  9.32142857]) Ang,
  max: UnitNDArray([ 9.32142857, 14.06155143,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 762,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 12.42857143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 763,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 14.06155143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 764,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 13.24506143,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 769,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 13.24506143, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 12.42857143, 12.42857143]) Ang,
  max: UnitNDArray([ 9.32142857, 14.06155143, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 766,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 12.42857143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 767,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 14.06155143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 768,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 13.24506143, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 773,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 13.24506143, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 12.42857143, 15.53571429]) Ang,
  max: UnitNDArray([ 9.32142857, 14.06155143, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 770,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 12.42857143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 771,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 14.06155143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 772,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 13.24506143, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 777,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 13.24506143, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 12.42857143, 18.64285714]) Ang,
  max: UnitNDArray([ 9.32142857, 14.06155143, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 774,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 12.42857143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 775,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 14.06155143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 776,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 13.24506143, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 781,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 16.35220429,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 15.53571429,  0.        ]) Ang,
  max: UnitNDArray([ 9.32142857, 17.16869429,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 778,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 15.53571429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 779,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 17.16869429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 780,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 16.35220429,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 785,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 16.35220429,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 15.53571429,  3.10714286]) Ang,
  max: UnitNDArray([ 9.32142857, 17.16869429,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 782,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 15.53571429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 783,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 17.16869429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 784,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 16.35220429,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 789,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 16.35220429,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 15.53571429,  6.21428571]) Ang,
  max: UnitNDArray([ 9.32142857, 17.16869429,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 786,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 15.53571429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 787,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 17.16869429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 788,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 16.35220429,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 793,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 16.35220429,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 15.53571429,  9.32142857]) Ang,
  max: UnitNDArray([ 9.32142857, 17.16869429,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 790,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 15.53571429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 791,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 17.16869429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 792,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 16.35220429,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 797,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 16.35220429, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 15.53571429, 12.42857143]) Ang,
  max: UnitNDArray([ 9.32142857, 17.16869429, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 794,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 15.53571429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 795,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 17.16869429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 796,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 16.35220429, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 801,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 16.35220429, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 15.53571429, 15.53571429]) Ang,
  max: UnitNDArray([ 9.32142857, 17.16869429, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 798,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 15.53571429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 799,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 17.16869429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 800,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 16.35220429, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 805,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 16.35220429, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 15.53571429, 18.64285714]) Ang,
  max: UnitNDArray([ 9.32142857, 17.16869429, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 802,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 15.53571429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 803,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 17.16869429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 804,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 16.35220429, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 809,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 19.45934714,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 18.64285714,  0.        ]) Ang,
  max: UnitNDArray([ 9.32142857, 20.27583714,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 806,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 18.64285714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 807,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 20.27583714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 808,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 19.45934714,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 813,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 19.45934714,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 18.64285714,  3.10714286]) Ang,
  max: UnitNDArray([ 9.32142857, 20.27583714,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 810,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 18.64285714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 811,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 20.27583714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 812,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 19.45934714,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 817,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 19.45934714,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 18.64285714,  6.21428571]) Ang,
  max: UnitNDArray([ 9.32142857, 20.27583714,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 814,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 18.64285714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 815,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 20.27583714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 816,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 19.45934714,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 821,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 19.45934714,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 18.64285714,  9.32142857]) Ang,
  max: UnitNDArray([ 9.32142857, 20.27583714,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 818,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 18.64285714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 819,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 20.27583714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 820,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 19.45934714,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 825,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 19.45934714, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 18.64285714, 12.42857143]) Ang,
  max: UnitNDArray([ 9.32142857, 20.27583714, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 822,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 18.64285714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 823,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 20.27583714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 824,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 19.45934714, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 829,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 19.45934714, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 18.64285714, 15.53571429]) Ang,
  max: UnitNDArray([ 9.32142857, 20.27583714, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 826,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 18.64285714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 827,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 20.27583714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 828,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 19.45934714, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 833,
  formula: 'H2O',
  position: UnitNDArray([ 9.32142857, 19.45934714, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([ 9.32142857, 18.64285714, 18.64285714]) Ang,
  max: UnitNDArray([ 9.32142857, 20.27583714, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 830,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 18.64285714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 831,
  element: 'H',
  position: UnitNDArray([ 9.32142857, 20.27583714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 832,
  element: 'O',
  position: UnitNDArray([ 9.32142857, 19.45934714, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 837,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  0.81649   ,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  0.        ,  0.        ]) Ang,
  max: UnitNDArray([12.42857143,  1.63298   ,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 834,
  element: 'H',
  position: UnitNDArray([12.42857143,  0.        ,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 835,
  element: 'H',
  position: UnitNDArray([12.42857143,  1.63298   ,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 836,
  element: 'O',
  position: UnitNDArray([12.42857143,  0.81649   ,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 841,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  0.81649   ,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  0.        ,  3.10714286]) Ang,
  max: UnitNDArray([12.42857143,  1.63298   ,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 838,
  element: 'H',
  position: UnitNDArray([12.42857143,  0.        ,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 839,
  element: 'H',
  position: UnitNDArray([12.42857143,  1.63298   ,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 840,
  element: 'O',
  position: UnitNDArray([12.42857143,  0.81649   ,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 845,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  0.81649   ,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  0.        ,  6.21428571]) Ang,
  max: UnitNDArray([12.42857143,  1.63298   ,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 842,
  element: 'H',
  position: UnitNDArray([12.42857143,  0.        ,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 843,
  element: 'H',
  position: UnitNDArray([12.42857143,  1.63298   ,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 844,
  element: 'O',
  position: UnitNDArray([12.42857143,  0.81649   ,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 849,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  0.81649   ,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  0.        ,  9.32142857]) Ang,
  max: UnitNDArray([12.42857143,  1.63298   ,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 846,
  element: 'H',
  position: UnitNDArray([12.42857143,  0.        ,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 847,
  element: 'H',
  position: UnitNDArray([12.42857143,  1.63298   ,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 848,
  element: 'O',
  position: UnitNDArray([12.42857143,  0.81649   ,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 853,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  0.81649   , 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  0.        , 12.42857143]) Ang,
  max: UnitNDArray([12.42857143,  1.63298   , 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 850,
  element: 'H',
  position: UnitNDArray([12.42857143,  0.        , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 851,
  element: 'H',
  position: UnitNDArray([12.42857143,  1.63298   , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 852,
  element: 'O',
  position: UnitNDArray([12.42857143,  0.81649   , 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 857,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  0.81649   , 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  0.        , 15.53571429]) Ang,
  max: UnitNDArray([12.42857143,  1.63298   , 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 854,
  element: 'H',
  position: UnitNDArray([12.42857143,  0.        , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 855,
  element: 'H',
  position: UnitNDArray([12.42857143,  1.63298   , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 856,
  element: 'O',
  position: UnitNDArray([12.42857143,  0.81649   , 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 861,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  0.81649   , 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  0.        , 18.64285714]) Ang,
  max: UnitNDArray([12.42857143,  1.63298   , 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 858,
  element: 'H',
  position: UnitNDArray([12.42857143,  0.        , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 859,
  element: 'H',
  position: UnitNDArray([12.42857143,  1.63298   , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 860,
  element: 'O',
  position: UnitNDArray([12.42857143,  0.81649   , 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 865,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  3.92363286,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  3.10714286,  0.        ]) Ang,
  max: UnitNDArray([12.42857143,  4.74012286,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 862,
  element: 'H',
  position: UnitNDArray([12.42857143,  3.10714286,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 863,
  element: 'H',
  position: UnitNDArray([12.42857143,  4.74012286,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 864,
  element: 'O',
  position: UnitNDArray([12.42857143,  3.92363286,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 869,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  3.92363286,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  3.10714286,  3.10714286]) Ang,
  max: UnitNDArray([12.42857143,  4.74012286,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 866,
  element: 'H',
  position: UnitNDArray([12.42857143,  3.10714286,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 867,
  element: 'H',
  position: UnitNDArray([12.42857143,  4.74012286,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 868,
  element: 'O',
  position: UnitNDArray([12.42857143,  3.92363286,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 873,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  3.92363286,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  3.10714286,  6.21428571]) Ang,
  max: UnitNDArray([12.42857143,  4.74012286,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 870,
  element: 'H',
  position: UnitNDArray([12.42857143,  3.10714286,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 871,
  element: 'H',
  position: UnitNDArray([12.42857143,  4.74012286,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 872,
  element: 'O',
  position: UnitNDArray([12.42857143,  3.92363286,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 877,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  3.92363286,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  3.10714286,  9.32142857]) Ang,
  max: UnitNDArray([12.42857143,  4.74012286,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 874,
  element: 'H',
  position: UnitNDArray([12.42857143,  3.10714286,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 875,
  element: 'H',
  position: UnitNDArray([12.42857143,  4.74012286,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 876,
  element: 'O',
  position: UnitNDArray([12.42857143,  3.92363286,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 881,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  3.92363286, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  3.10714286, 12.42857143]) Ang,
  max: UnitNDArray([12.42857143,  4.74012286, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 878,
  element: 'H',
  position: UnitNDArray([12.42857143,  3.10714286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 879,
  element: 'H',
  position: UnitNDArray([12.42857143,  4.74012286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 880,
  element: 'O',
  position: UnitNDArray([12.42857143,  3.92363286, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 885,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  3.92363286, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  3.10714286, 15.53571429]) Ang,
  max: UnitNDArray([12.42857143,  4.74012286, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 882,
  element: 'H',
  position: UnitNDArray([12.42857143,  3.10714286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 883,
  element: 'H',
  position: UnitNDArray([12.42857143,  4.74012286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 884,
  element: 'O',
  position: UnitNDArray([12.42857143,  3.92363286, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 889,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  3.92363286, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  3.10714286, 18.64285714]) Ang,
  max: UnitNDArray([12.42857143,  4.74012286, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 886,
  element: 'H',
  position: UnitNDArray([12.42857143,  3.10714286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 887,
  element: 'H',
  position: UnitNDArray([12.42857143,  4.74012286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 888,
  element: 'O',
  position: UnitNDArray([12.42857143,  3.92363286, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 893,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  7.03077571,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  6.21428571,  0.        ]) Ang,
  max: UnitNDArray([12.42857143,  7.84726571,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 890,
  element: 'H',
  position: UnitNDArray([12.42857143,  6.21428571,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 891,
  element: 'H',
  position: UnitNDArray([12.42857143,  7.84726571,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 892,
  element: 'O',
  position: UnitNDArray([12.42857143,  7.03077571,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 897,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  7.03077571,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  6.21428571,  3.10714286]) Ang,
  max: UnitNDArray([12.42857143,  7.84726571,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 894,
  element: 'H',
  position: UnitNDArray([12.42857143,  6.21428571,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 895,
  element: 'H',
  position: UnitNDArray([12.42857143,  7.84726571,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 896,
  element: 'O',
  position: UnitNDArray([12.42857143,  7.03077571,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 901,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  7.03077571,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  6.21428571,  6.21428571]) Ang,
  max: UnitNDArray([12.42857143,  7.84726571,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 898,
  element: 'H',
  position: UnitNDArray([12.42857143,  6.21428571,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 899,
  element: 'H',
  position: UnitNDArray([12.42857143,  7.84726571,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 900,
  element: 'O',
  position: UnitNDArray([12.42857143,  7.03077571,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 905,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  7.03077571,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  6.21428571,  9.32142857]) Ang,
  max: UnitNDArray([12.42857143,  7.84726571,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 902,
  element: 'H',
  position: UnitNDArray([12.42857143,  6.21428571,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 903,
  element: 'H',
  position: UnitNDArray([12.42857143,  7.84726571,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 904,
  element: 'O',
  position: UnitNDArray([12.42857143,  7.03077571,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 909,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  7.03077571, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  6.21428571, 12.42857143]) Ang,
  max: UnitNDArray([12.42857143,  7.84726571, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 906,
  element: 'H',
  position: UnitNDArray([12.42857143,  6.21428571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 907,
  element: 'H',
  position: UnitNDArray([12.42857143,  7.84726571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 908,
  element: 'O',
  position: UnitNDArray([12.42857143,  7.03077571, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 913,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  7.03077571, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  6.21428571, 15.53571429]) Ang,
  max: UnitNDArray([12.42857143,  7.84726571, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 910,
  element: 'H',
  position: UnitNDArray([12.42857143,  6.21428571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 911,
  element: 'H',
  position: UnitNDArray([12.42857143,  7.84726571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 912,
  element: 'O',
  position: UnitNDArray([12.42857143,  7.03077571, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 917,
  formula: 'H2O',
  position: UnitNDArray([12.42857143,  7.03077571, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  6.21428571, 18.64285714]) Ang,
  max: UnitNDArray([12.42857143,  7.84726571, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 914,
  element: 'H',
  position: UnitNDArray([12.42857143,  6.21428571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 915,
  element: 'H',
  position: UnitNDArray([12.42857143,  7.84726571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 916,
  element: 'O',
  position: UnitNDArray([12.42857143,  7.03077571, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 921,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 10.13791857,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  9.32142857,  0.        ]) Ang,
  max: UnitNDArray([12.42857143, 10.95440857,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 918,
  element: 'H',
  position: UnitNDArray([12.42857143,  9.32142857,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 919,
  element: 'H',
  position: UnitNDArray([12.42857143, 10.95440857,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 920,
  element: 'O',
  position: UnitNDArray([12.42857143, 10.13791857,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 925,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 10.13791857,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  9.32142857,  3.10714286]) Ang,
  max: UnitNDArray([12.42857143, 10.95440857,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 922,
  element: 'H',
  position: UnitNDArray([12.42857143,  9.32142857,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 923,
  element: 'H',
  position: UnitNDArray([12.42857143, 10.95440857,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 924,
  element: 'O',
  position: UnitNDArray([12.42857143, 10.13791857,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 929,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 10.13791857,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  9.32142857,  6.21428571]) Ang,
  max: UnitNDArray([12.42857143, 10.95440857,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 926,
  element: 'H',
  position: UnitNDArray([12.42857143,  9.32142857,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 927,
  element: 'H',
  position: UnitNDArray([12.42857143, 10.95440857,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 928,
  element: 'O',
  position: UnitNDArray([12.42857143, 10.13791857,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 933,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 10.13791857,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  9.32142857,  9.32142857]) Ang,
  max: UnitNDArray([12.42857143, 10.95440857,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 930,
  element: 'H',
  position: UnitNDArray([12.42857143,  9.32142857,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 931,
  element: 'H',
  position: UnitNDArray([12.42857143, 10.95440857,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 932,
  element: 'O',
  position: UnitNDArray([12.42857143, 10.13791857,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 937,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 10.13791857, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  9.32142857, 12.42857143]) Ang,
  max: UnitNDArray([12.42857143, 10.95440857, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 934,
  element: 'H',
  position: UnitNDArray([12.42857143,  9.32142857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 935,
  element: 'H',
  position: UnitNDArray([12.42857143, 10.95440857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 936,
  element: 'O',
  position: UnitNDArray([12.42857143, 10.13791857, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 941,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 10.13791857, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  9.32142857, 15.53571429]) Ang,
  max: UnitNDArray([12.42857143, 10.95440857, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 938,
  element: 'H',
  position: UnitNDArray([12.42857143,  9.32142857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 939,
  element: 'H',
  position: UnitNDArray([12.42857143, 10.95440857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 940,
  element: 'O',
  position: UnitNDArray([12.42857143, 10.13791857, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 945,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 10.13791857, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143,  9.32142857, 18.64285714]) Ang,
  max: UnitNDArray([12.42857143, 10.95440857, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 942,
  element: 'H',
  position: UnitNDArray([12.42857143,  9.32142857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 943,
  element: 'H',
  position: UnitNDArray([12.42857143, 10.95440857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 944,
  element: 'O',
  position: UnitNDArray([12.42857143, 10.13791857, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 949,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 13.24506143,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 12.42857143,  0.        ]) Ang,
  max: UnitNDArray([12.42857143, 14.06155143,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 946,
  element: 'H',
  position: UnitNDArray([12.42857143, 12.42857143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 947,
  element: 'H',
  position: UnitNDArray([12.42857143, 14.06155143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 948,
  element: 'O',
  position: UnitNDArray([12.42857143, 13.24506143,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 953,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 13.24506143,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 12.42857143,  3.10714286]) Ang,
  max: UnitNDArray([12.42857143, 14.06155143,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 950,
  element: 'H',
  position: UnitNDArray([12.42857143, 12.42857143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 951,
  element: 'H',
  position: UnitNDArray([12.42857143, 14.06155143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 952,
  element: 'O',
  position: UnitNDArray([12.42857143, 13.24506143,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 957,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 13.24506143,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 12.42857143,  6.21428571]) Ang,
  max: UnitNDArray([12.42857143, 14.06155143,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 954,
  element: 'H',
  position: UnitNDArray([12.42857143, 12.42857143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 955,
  element: 'H',
  position: UnitNDArray([12.42857143, 14.06155143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 956,
  element: 'O',
  position: UnitNDArray([12.42857143, 13.24506143,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 961,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 13.24506143,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 12.42857143,  9.32142857]) Ang,
  max: UnitNDArray([12.42857143, 14.06155143,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 958,
  element: 'H',
  position: UnitNDArray([12.42857143, 12.42857143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 959,
  element: 'H',
  position: UnitNDArray([12.42857143, 14.06155143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 960,
  element: 'O',
  position: UnitNDArray([12.42857143, 13.24506143,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 965,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 13.24506143, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 12.42857143, 12.42857143]) Ang,
  max: UnitNDArray([12.42857143, 14.06155143, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 962,
  element: 'H',
  position: UnitNDArray([12.42857143, 12.42857143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 963,
  element: 'H',
  position: UnitNDArray([12.42857143, 14.06155143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 964,
  element: 'O',
  position: UnitNDArray([12.42857143, 13.24506143, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 969,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 13.24506143, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 12.42857143, 15.53571429]) Ang,
  max: UnitNDArray([12.42857143, 14.06155143, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 966,
  element: 'H',
  position: UnitNDArray([12.42857143, 12.42857143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 967,
  element: 'H',
  position: UnitNDArray([12.42857143, 14.06155143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 968,
  element: 'O',
  position: UnitNDArray([12.42857143, 13.24506143, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 973,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 13.24506143, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 12.42857143, 18.64285714]) Ang,
  max: UnitNDArray([12.42857143, 14.06155143, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 970,
  element: 'H',
  position: UnitNDArray([12.42857143, 12.42857143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 971,
  element: 'H',
  position: UnitNDArray([12.42857143, 14.06155143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 972,
  element: 'O',
  position: UnitNDArray([12.42857143, 13.24506143, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 977,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 16.35220429,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 15.53571429,  0.        ]) Ang,
  max: UnitNDArray([12.42857143, 17.16869429,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 974,
  element: 'H',
  position: UnitNDArray([12.42857143, 15.53571429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 975,
  element: 'H',
  position: UnitNDArray([12.42857143, 17.16869429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 976,
  element: 'O',
  position: UnitNDArray([12.42857143, 16.35220429,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 981,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 16.35220429,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 15.53571429,  3.10714286]) Ang,
  max: UnitNDArray([12.42857143, 17.16869429,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 978,
  element: 'H',
  position: UnitNDArray([12.42857143, 15.53571429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 979,
  element: 'H',
  position: UnitNDArray([12.42857143, 17.16869429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 980,
  element: 'O',
  position: UnitNDArray([12.42857143, 16.35220429,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 985,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 16.35220429,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 15.53571429,  6.21428571]) Ang,
  max: UnitNDArray([12.42857143, 17.16869429,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 982,
  element: 'H',
  position: UnitNDArray([12.42857143, 15.53571429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 983,
  element: 'H',
  position: UnitNDArray([12.42857143, 17.16869429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 984,
  element: 'O',
  position: UnitNDArray([12.42857143, 16.35220429,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 989,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 16.35220429,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 15.53571429,  9.32142857]) Ang,
  max: UnitNDArray([12.42857143, 17.16869429,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 986,
  element: 'H',
  position: UnitNDArray([12.42857143, 15.53571429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 987,
  element: 'H',
  position: UnitNDArray([12.42857143, 17.16869429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 988,
  element: 'O',
  position: UnitNDArray([12.42857143, 16.35220429,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 993,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 16.35220429, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 15.53571429, 12.42857143]) Ang,
  max: UnitNDArray([12.42857143, 17.16869429, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 990,
  element: 'H',
  position: UnitNDArray([12.42857143, 15.53571429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 991,
  element: 'H',
  position: UnitNDArray([12.42857143, 17.16869429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 992,
  element: 'O',
  position: UnitNDArray([12.42857143, 16.35220429, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 997,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 16.35220429, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 15.53571429, 15.53571429]) Ang,
  max: UnitNDArray([12.42857143, 17.16869429, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 994,
  element: 'H',
  position: UnitNDArray([12.42857143, 15.53571429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 995,
  element: 'H',
  position: UnitNDArray([12.42857143, 17.16869429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 996,
  element: 'O',
  position: UnitNDArray([12.42857143, 16.35220429, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1001,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 16.35220429, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 15.53571429, 18.64285714]) Ang,
  max: UnitNDArray([12.42857143, 17.16869429, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 998,
  element: 'H',
  position: UnitNDArray([12.42857143, 15.53571429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 999,
  element: 'H',
  position: UnitNDArray([12.42857143, 17.16869429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1000,
  element: 'O',
  position: UnitNDArray([12.42857143, 16.35220429, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1005,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 19.45934714,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 18.64285714,  0.        ]) Ang,
  max: UnitNDArray([12.42857143, 20.27583714,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1002,
  element: 'H',
  position: UnitNDArray([12.42857143, 18.64285714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1003,
  element: 'H',
  position: UnitNDArray([12.42857143, 20.27583714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1004,
  element: 'O',
  position: UnitNDArray([12.42857143, 19.45934714,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1009,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 19.45934714,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 18.64285714,  3.10714286]) Ang,
  max: UnitNDArray([12.42857143, 20.27583714,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1006,
  element: 'H',
  position: UnitNDArray([12.42857143, 18.64285714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1007,
  element: 'H',
  position: UnitNDArray([12.42857143, 20.27583714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1008,
  element: 'O',
  position: UnitNDArray([12.42857143, 19.45934714,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1013,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 19.45934714,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 18.64285714,  6.21428571]) Ang,
  max: UnitNDArray([12.42857143, 20.27583714,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1010,
  element: 'H',
  position: UnitNDArray([12.42857143, 18.64285714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1011,
  element: 'H',
  position: UnitNDArray([12.42857143, 20.27583714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1012,
  element: 'O',
  position: UnitNDArray([12.42857143, 19.45934714,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1017,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 19.45934714,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 18.64285714,  9.32142857]) Ang,
  max: UnitNDArray([12.42857143, 20.27583714,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1014,
  element: 'H',
  position: UnitNDArray([12.42857143, 18.64285714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1015,
  element: 'H',
  position: UnitNDArray([12.42857143, 20.27583714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1016,
  element: 'O',
  position: UnitNDArray([12.42857143, 19.45934714,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1021,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 19.45934714, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 18.64285714, 12.42857143]) Ang,
  max: UnitNDArray([12.42857143, 20.27583714, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1018,
  element: 'H',
  position: UnitNDArray([12.42857143, 18.64285714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1019,
  element: 'H',
  position: UnitNDArray([12.42857143, 20.27583714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1020,
  element: 'O',
  position: UnitNDArray([12.42857143, 19.45934714, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1025,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 19.45934714, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 18.64285714, 15.53571429]) Ang,
  max: UnitNDArray([12.42857143, 20.27583714, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1022,
  element: 'H',
  position: UnitNDArray([12.42857143, 18.64285714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1023,
  element: 'H',
  position: UnitNDArray([12.42857143, 20.27583714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1024,
  element: 'O',
  position: UnitNDArray([12.42857143, 19.45934714, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1029,
  formula: 'H2O',
  position: UnitNDArray([12.42857143, 19.45934714, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([12.42857143, 18.64285714, 18.64285714]) Ang,
  max: UnitNDArray([12.42857143, 20.27583714, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1026,
  element: 'H',
  position: UnitNDArray([12.42857143, 18.64285714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1027,
  element: 'H',
  position: UnitNDArray([12.42857143, 20.27583714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1028,
  element: 'O',
  position: UnitNDArray([12.42857143, 19.45934714, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1033,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  0.81649   ,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  0.        ,  0.        ]) Ang,
  max: UnitNDArray([15.53571429,  1.63298   ,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1030,
  element: 'H',
  position: UnitNDArray([15.53571429,  0.        ,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1031,
  element: 'H',
  position: UnitNDArray([15.53571429,  1.63298   ,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1032,
  element: 'O',
  position: UnitNDArray([15.53571429,  0.81649   ,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1037,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  0.81649   ,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  0.        ,  3.10714286]) Ang,
  max: UnitNDArray([15.53571429,  1.63298   ,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1034,
  element: 'H',
  position: UnitNDArray([15.53571429,  0.        ,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1035,
  element: 'H',
  position: UnitNDArray([15.53571429,  1.63298   ,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1036,
  element: 'O',
  position: UnitNDArray([15.53571429,  0.81649   ,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1041,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  0.81649   ,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  0.        ,  6.21428571]) Ang,
  max: UnitNDArray([15.53571429,  1.63298   ,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1038,
  element: 'H',
  position: UnitNDArray([15.53571429,  0.        ,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1039,
  element: 'H',
  position: UnitNDArray([15.53571429,  1.63298   ,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1040,
  element: 'O',
  position: UnitNDArray([15.53571429,  0.81649   ,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1045,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  0.81649   ,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  0.        ,  9.32142857]) Ang,
  max: UnitNDArray([15.53571429,  1.63298   ,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1042,
  element: 'H',
  position: UnitNDArray([15.53571429,  0.        ,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1043,
  element: 'H',
  position: UnitNDArray([15.53571429,  1.63298   ,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1044,
  element: 'O',
  position: UnitNDArray([15.53571429,  0.81649   ,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1049,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  0.81649   , 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  0.        , 12.42857143]) Ang,
  max: UnitNDArray([15.53571429,  1.63298   , 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1046,
  element: 'H',
  position: UnitNDArray([15.53571429,  0.        , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1047,
  element: 'H',
  position: UnitNDArray([15.53571429,  1.63298   , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1048,
  element: 'O',
  position: UnitNDArray([15.53571429,  0.81649   , 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1053,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  0.81649   , 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  0.        , 15.53571429]) Ang,
  max: UnitNDArray([15.53571429,  1.63298   , 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1050,
  element: 'H',
  position: UnitNDArray([15.53571429,  0.        , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1051,
  element: 'H',
  position: UnitNDArray([15.53571429,  1.63298   , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1052,
  element: 'O',
  position: UnitNDArray([15.53571429,  0.81649   , 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1057,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  0.81649   , 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  0.        , 18.64285714]) Ang,
  max: UnitNDArray([15.53571429,  1.63298   , 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1054,
  element: 'H',
  position: UnitNDArray([15.53571429,  0.        , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1055,
  element: 'H',
  position: UnitNDArray([15.53571429,  1.63298   , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1056,
  element: 'O',
  position: UnitNDArray([15.53571429,  0.81649   , 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1061,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  3.92363286,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  3.10714286,  0.        ]) Ang,
  max: UnitNDArray([15.53571429,  4.74012286,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1058,
  element: 'H',
  position: UnitNDArray([15.53571429,  3.10714286,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1059,
  element: 'H',
  position: UnitNDArray([15.53571429,  4.74012286,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1060,
  element: 'O',
  position: UnitNDArray([15.53571429,  3.92363286,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1065,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  3.92363286,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  3.10714286,  3.10714286]) Ang,
  max: UnitNDArray([15.53571429,  4.74012286,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1062,
  element: 'H',
  position: UnitNDArray([15.53571429,  3.10714286,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1063,
  element: 'H',
  position: UnitNDArray([15.53571429,  4.74012286,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1064,
  element: 'O',
  position: UnitNDArray([15.53571429,  3.92363286,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1069,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  3.92363286,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  3.10714286,  6.21428571]) Ang,
  max: UnitNDArray([15.53571429,  4.74012286,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1066,
  element: 'H',
  position: UnitNDArray([15.53571429,  3.10714286,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1067,
  element: 'H',
  position: UnitNDArray([15.53571429,  4.74012286,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1068,
  element: 'O',
  position: UnitNDArray([15.53571429,  3.92363286,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1073,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  3.92363286,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  3.10714286,  9.32142857]) Ang,
  max: UnitNDArray([15.53571429,  4.74012286,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1070,
  element: 'H',
  position: UnitNDArray([15.53571429,  3.10714286,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1071,
  element: 'H',
  position: UnitNDArray([15.53571429,  4.74012286,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1072,
  element: 'O',
  position: UnitNDArray([15.53571429,  3.92363286,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1077,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  3.92363286, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  3.10714286, 12.42857143]) Ang,
  max: UnitNDArray([15.53571429,  4.74012286, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1074,
  element: 'H',
  position: UnitNDArray([15.53571429,  3.10714286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1075,
  element: 'H',
  position: UnitNDArray([15.53571429,  4.74012286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1076,
  element: 'O',
  position: UnitNDArray([15.53571429,  3.92363286, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1081,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  3.92363286, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  3.10714286, 15.53571429]) Ang,
  max: UnitNDArray([15.53571429,  4.74012286, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1078,
  element: 'H',
  position: UnitNDArray([15.53571429,  3.10714286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1079,
  element: 'H',
  position: UnitNDArray([15.53571429,  4.74012286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1080,
  element: 'O',
  position: UnitNDArray([15.53571429,  3.92363286, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1085,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  3.92363286, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  3.10714286, 18.64285714]) Ang,
  max: UnitNDArray([15.53571429,  4.74012286, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1082,
  element: 'H',
  position: UnitNDArray([15.53571429,  3.10714286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1083,
  element: 'H',
  position: UnitNDArray([15.53571429,  4.74012286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1084,
  element: 'O',
  position: UnitNDArray([15.53571429,  3.92363286, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1089,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  7.03077571,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  6.21428571,  0.        ]) Ang,
  max: UnitNDArray([15.53571429,  7.84726571,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1086,
  element: 'H',
  position: UnitNDArray([15.53571429,  6.21428571,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1087,
  element: 'H',
  position: UnitNDArray([15.53571429,  7.84726571,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1088,
  element: 'O',
  position: UnitNDArray([15.53571429,  7.03077571,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1093,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  7.03077571,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  6.21428571,  3.10714286]) Ang,
  max: UnitNDArray([15.53571429,  7.84726571,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1090,
  element: 'H',
  position: UnitNDArray([15.53571429,  6.21428571,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1091,
  element: 'H',
  position: UnitNDArray([15.53571429,  7.84726571,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1092,
  element: 'O',
  position: UnitNDArray([15.53571429,  7.03077571,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1097,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  7.03077571,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  6.21428571,  6.21428571]) Ang,
  max: UnitNDArray([15.53571429,  7.84726571,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1094,
  element: 'H',
  position: UnitNDArray([15.53571429,  6.21428571,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1095,
  element: 'H',
  position: UnitNDArray([15.53571429,  7.84726571,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1096,
  element: 'O',
  position: UnitNDArray([15.53571429,  7.03077571,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1101,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  7.03077571,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  6.21428571,  9.32142857]) Ang,
  max: UnitNDArray([15.53571429,  7.84726571,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1098,
  element: 'H',
  position: UnitNDArray([15.53571429,  6.21428571,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1099,
  element: 'H',
  position: UnitNDArray([15.53571429,  7.84726571,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1100,
  element: 'O',
  position: UnitNDArray([15.53571429,  7.03077571,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1105,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  7.03077571, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  6.21428571, 12.42857143]) Ang,
  max: UnitNDArray([15.53571429,  7.84726571, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1102,
  element: 'H',
  position: UnitNDArray([15.53571429,  6.21428571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1103,
  element: 'H',
  position: UnitNDArray([15.53571429,  7.84726571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1104,
  element: 'O',
  position: UnitNDArray([15.53571429,  7.03077571, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1109,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  7.03077571, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  6.21428571, 15.53571429]) Ang,
  max: UnitNDArray([15.53571429,  7.84726571, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1106,
  element: 'H',
  position: UnitNDArray([15.53571429,  6.21428571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1107,
  element: 'H',
  position: UnitNDArray([15.53571429,  7.84726571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1108,
  element: 'O',
  position: UnitNDArray([15.53571429,  7.03077571, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1113,
  formula: 'H2O',
  position: UnitNDArray([15.53571429,  7.03077571, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  6.21428571, 18.64285714]) Ang,
  max: UnitNDArray([15.53571429,  7.84726571, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1110,
  element: 'H',
  position: UnitNDArray([15.53571429,  6.21428571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1111,
  element: 'H',
  position: UnitNDArray([15.53571429,  7.84726571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1112,
  element: 'O',
  position: UnitNDArray([15.53571429,  7.03077571, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1117,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 10.13791857,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  9.32142857,  0.        ]) Ang,
  max: UnitNDArray([15.53571429, 10.95440857,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1114,
  element: 'H',
  position: UnitNDArray([15.53571429,  9.32142857,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1115,
  element: 'H',
  position: UnitNDArray([15.53571429, 10.95440857,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1116,
  element: 'O',
  position: UnitNDArray([15.53571429, 10.13791857,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1121,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 10.13791857,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  9.32142857,  3.10714286]) Ang,
  max: UnitNDArray([15.53571429, 10.95440857,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1118,
  element: 'H',
  position: UnitNDArray([15.53571429,  9.32142857,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1119,
  element: 'H',
  position: UnitNDArray([15.53571429, 10.95440857,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1120,
  element: 'O',
  position: UnitNDArray([15.53571429, 10.13791857,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1125,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 10.13791857,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  9.32142857,  6.21428571]) Ang,
  max: UnitNDArray([15.53571429, 10.95440857,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1122,
  element: 'H',
  position: UnitNDArray([15.53571429,  9.32142857,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1123,
  element: 'H',
  position: UnitNDArray([15.53571429, 10.95440857,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1124,
  element: 'O',
  position: UnitNDArray([15.53571429, 10.13791857,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1129,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 10.13791857,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  9.32142857,  9.32142857]) Ang,
  max: UnitNDArray([15.53571429, 10.95440857,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1126,
  element: 'H',
  position: UnitNDArray([15.53571429,  9.32142857,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1127,
  element: 'H',
  position: UnitNDArray([15.53571429, 10.95440857,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1128,
  element: 'O',
  position: UnitNDArray([15.53571429, 10.13791857,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1133,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 10.13791857, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  9.32142857, 12.42857143]) Ang,
  max: UnitNDArray([15.53571429, 10.95440857, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1130,
  element: 'H',
  position: UnitNDArray([15.53571429,  9.32142857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1131,
  element: 'H',
  position: UnitNDArray([15.53571429, 10.95440857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1132,
  element: 'O',
  position: UnitNDArray([15.53571429, 10.13791857, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1137,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 10.13791857, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  9.32142857, 15.53571429]) Ang,
  max: UnitNDArray([15.53571429, 10.95440857, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1134,
  element: 'H',
  position: UnitNDArray([15.53571429,  9.32142857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1135,
  element: 'H',
  position: UnitNDArray([15.53571429, 10.95440857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1136,
  element: 'O',
  position: UnitNDArray([15.53571429, 10.13791857, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1141,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 10.13791857, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429,  9.32142857, 18.64285714]) Ang,
  max: UnitNDArray([15.53571429, 10.95440857, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1138,
  element: 'H',
  position: UnitNDArray([15.53571429,  9.32142857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1139,
  element: 'H',
  position: UnitNDArray([15.53571429, 10.95440857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1140,
  element: 'O',
  position: UnitNDArray([15.53571429, 10.13791857, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1145,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 13.24506143,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 12.42857143,  0.        ]) Ang,
  max: UnitNDArray([15.53571429, 14.06155143,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1142,
  element: 'H',
  position: UnitNDArray([15.53571429, 12.42857143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1143,
  element: 'H',
  position: UnitNDArray([15.53571429, 14.06155143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1144,
  element: 'O',
  position: UnitNDArray([15.53571429, 13.24506143,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1149,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 13.24506143,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 12.42857143,  3.10714286]) Ang,
  max: UnitNDArray([15.53571429, 14.06155143,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1146,
  element: 'H',
  position: UnitNDArray([15.53571429, 12.42857143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1147,
  element: 'H',
  position: UnitNDArray([15.53571429, 14.06155143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1148,
  element: 'O',
  position: UnitNDArray([15.53571429, 13.24506143,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1153,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 13.24506143,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 12.42857143,  6.21428571]) Ang,
  max: UnitNDArray([15.53571429, 14.06155143,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1150,
  element: 'H',
  position: UnitNDArray([15.53571429, 12.42857143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1151,
  element: 'H',
  position: UnitNDArray([15.53571429, 14.06155143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1152,
  element: 'O',
  position: UnitNDArray([15.53571429, 13.24506143,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1157,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 13.24506143,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 12.42857143,  9.32142857]) Ang,
  max: UnitNDArray([15.53571429, 14.06155143,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1154,
  element: 'H',
  position: UnitNDArray([15.53571429, 12.42857143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1155,
  element: 'H',
  position: UnitNDArray([15.53571429, 14.06155143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1156,
  element: 'O',
  position: UnitNDArray([15.53571429, 13.24506143,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1161,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 13.24506143, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 12.42857143, 12.42857143]) Ang,
  max: UnitNDArray([15.53571429, 14.06155143, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1158,
  element: 'H',
  position: UnitNDArray([15.53571429, 12.42857143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1159,
  element: 'H',
  position: UnitNDArray([15.53571429, 14.06155143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1160,
  element: 'O',
  position: UnitNDArray([15.53571429, 13.24506143, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1165,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 13.24506143, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 12.42857143, 15.53571429]) Ang,
  max: UnitNDArray([15.53571429, 14.06155143, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1162,
  element: 'H',
  position: UnitNDArray([15.53571429, 12.42857143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1163,
  element: 'H',
  position: UnitNDArray([15.53571429, 14.06155143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1164,
  element: 'O',
  position: UnitNDArray([15.53571429, 13.24506143, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1169,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 13.24506143, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 12.42857143, 18.64285714]) Ang,
  max: UnitNDArray([15.53571429, 14.06155143, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1166,
  element: 'H',
  position: UnitNDArray([15.53571429, 12.42857143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1167,
  element: 'H',
  position: UnitNDArray([15.53571429, 14.06155143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1168,
  element: 'O',
  position: UnitNDArray([15.53571429, 13.24506143, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1173,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 16.35220429,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 15.53571429,  0.        ]) Ang,
  max: UnitNDArray([15.53571429, 17.16869429,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1170,
  element: 'H',
  position: UnitNDArray([15.53571429, 15.53571429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1171,
  element: 'H',
  position: UnitNDArray([15.53571429, 17.16869429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1172,
  element: 'O',
  position: UnitNDArray([15.53571429, 16.35220429,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1177,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 16.35220429,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 15.53571429,  3.10714286]) Ang,
  max: UnitNDArray([15.53571429, 17.16869429,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1174,
  element: 'H',
  position: UnitNDArray([15.53571429, 15.53571429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1175,
  element: 'H',
  position: UnitNDArray([15.53571429, 17.16869429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1176,
  element: 'O',
  position: UnitNDArray([15.53571429, 16.35220429,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1181,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 16.35220429,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 15.53571429,  6.21428571]) Ang,
  max: UnitNDArray([15.53571429, 17.16869429,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1178,
  element: 'H',
  position: UnitNDArray([15.53571429, 15.53571429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1179,
  element: 'H',
  position: UnitNDArray([15.53571429, 17.16869429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1180,
  element: 'O',
  position: UnitNDArray([15.53571429, 16.35220429,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1185,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 16.35220429,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 15.53571429,  9.32142857]) Ang,
  max: UnitNDArray([15.53571429, 17.16869429,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1182,
  element: 'H',
  position: UnitNDArray([15.53571429, 15.53571429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1183,
  element: 'H',
  position: UnitNDArray([15.53571429, 17.16869429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1184,
  element: 'O',
  position: UnitNDArray([15.53571429, 16.35220429,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1189,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 16.35220429, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 15.53571429, 12.42857143]) Ang,
  max: UnitNDArray([15.53571429, 17.16869429, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1186,
  element: 'H',
  position: UnitNDArray([15.53571429, 15.53571429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1187,
  element: 'H',
  position: UnitNDArray([15.53571429, 17.16869429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1188,
  element: 'O',
  position: UnitNDArray([15.53571429, 16.35220429, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1193,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 16.35220429, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 15.53571429, 15.53571429]) Ang,
  max: UnitNDArray([15.53571429, 17.16869429, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1190,
  element: 'H',
  position: UnitNDArray([15.53571429, 15.53571429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1191,
  element: 'H',
  position: UnitNDArray([15.53571429, 17.16869429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1192,
  element: 'O',
  position: UnitNDArray([15.53571429, 16.35220429, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1197,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 16.35220429, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 15.53571429, 18.64285714]) Ang,
  max: UnitNDArray([15.53571429, 17.16869429, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1194,
  element: 'H',
  position: UnitNDArray([15.53571429, 15.53571429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1195,
  element: 'H',
  position: UnitNDArray([15.53571429, 17.16869429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1196,
  element: 'O',
  position: UnitNDArray([15.53571429, 16.35220429, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1201,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 19.45934714,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 18.64285714,  0.        ]) Ang,
  max: UnitNDArray([15.53571429, 20.27583714,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1198,
  element: 'H',
  position: UnitNDArray([15.53571429, 18.64285714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1199,
  element: 'H',
  position: UnitNDArray([15.53571429, 20.27583714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1200,
  element: 'O',
  position: UnitNDArray([15.53571429, 19.45934714,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1205,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 19.45934714,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 18.64285714,  3.10714286]) Ang,
  max: UnitNDArray([15.53571429, 20.27583714,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1202,
  element: 'H',
  position: UnitNDArray([15.53571429, 18.64285714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1203,
  element: 'H',
  position: UnitNDArray([15.53571429, 20.27583714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1204,
  element: 'O',
  position: UnitNDArray([15.53571429, 19.45934714,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1209,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 19.45934714,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 18.64285714,  6.21428571]) Ang,
  max: UnitNDArray([15.53571429, 20.27583714,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1206,
  element: 'H',
  position: UnitNDArray([15.53571429, 18.64285714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1207,
  element: 'H',
  position: UnitNDArray([15.53571429, 20.27583714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1208,
  element: 'O',
  position: UnitNDArray([15.53571429, 19.45934714,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1213,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 19.45934714,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 18.64285714,  9.32142857]) Ang,
  max: UnitNDArray([15.53571429, 20.27583714,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1210,
  element: 'H',
  position: UnitNDArray([15.53571429, 18.64285714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1211,
  element: 'H',
  position: UnitNDArray([15.53571429, 20.27583714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1212,
  element: 'O',
  position: UnitNDArray([15.53571429, 19.45934714,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1217,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 19.45934714, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 18.64285714, 12.42857143]) Ang,
  max: UnitNDArray([15.53571429, 20.27583714, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1214,
  element: 'H',
  position: UnitNDArray([15.53571429, 18.64285714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1215,
  element: 'H',
  position: UnitNDArray([15.53571429, 20.27583714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1216,
  element: 'O',
  position: UnitNDArray([15.53571429, 19.45934714, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1221,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 19.45934714, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 18.64285714, 15.53571429]) Ang,
  max: UnitNDArray([15.53571429, 20.27583714, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1218,
  element: 'H',
  position: UnitNDArray([15.53571429, 18.64285714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1219,
  element: 'H',
  position: UnitNDArray([15.53571429, 20.27583714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1220,
  element: 'O',
  position: UnitNDArray([15.53571429, 19.45934714, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1225,
  formula: 'H2O',
  position: UnitNDArray([15.53571429, 19.45934714, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([15.53571429, 18.64285714, 18.64285714]) Ang,
  max: UnitNDArray([15.53571429, 20.27583714, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1222,
  element: 'H',
  position: UnitNDArray([15.53571429, 18.64285714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1223,
  element: 'H',
  position: UnitNDArray([15.53571429, 20.27583714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1224,
  element: 'O',
  position: UnitNDArray([15.53571429, 19.45934714, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1229,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  0.81649   ,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  0.        ,  0.        ]) Ang,
  max: UnitNDArray([18.64285714,  1.63298   ,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1226,
  element: 'H',
  position: UnitNDArray([18.64285714,  0.        ,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1227,
  element: 'H',
  position: UnitNDArray([18.64285714,  1.63298   ,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1228,
  element: 'O',
  position: UnitNDArray([18.64285714,  0.81649   ,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1233,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  0.81649   ,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  0.        ,  3.10714286]) Ang,
  max: UnitNDArray([18.64285714,  1.63298   ,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1230,
  element: 'H',
  position: UnitNDArray([18.64285714,  0.        ,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1231,
  element: 'H',
  position: UnitNDArray([18.64285714,  1.63298   ,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1232,
  element: 'O',
  position: UnitNDArray([18.64285714,  0.81649   ,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1237,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  0.81649   ,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  0.        ,  6.21428571]) Ang,
  max: UnitNDArray([18.64285714,  1.63298   ,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1234,
  element: 'H',
  position: UnitNDArray([18.64285714,  0.        ,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1235,
  element: 'H',
  position: UnitNDArray([18.64285714,  1.63298   ,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1236,
  element: 'O',
  position: UnitNDArray([18.64285714,  0.81649   ,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1241,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  0.81649   ,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  0.        ,  9.32142857]) Ang,
  max: UnitNDArray([18.64285714,  1.63298   ,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1238,
  element: 'H',
  position: UnitNDArray([18.64285714,  0.        ,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1239,
  element: 'H',
  position: UnitNDArray([18.64285714,  1.63298   ,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1240,
  element: 'O',
  position: UnitNDArray([18.64285714,  0.81649   ,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1245,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  0.81649   , 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  0.        , 12.42857143]) Ang,
  max: UnitNDArray([18.64285714,  1.63298   , 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1242,
  element: 'H',
  position: UnitNDArray([18.64285714,  0.        , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1243,
  element: 'H',
  position: UnitNDArray([18.64285714,  1.63298   , 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1244,
  element: 'O',
  position: UnitNDArray([18.64285714,  0.81649   , 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1249,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  0.81649   , 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  0.        , 15.53571429]) Ang,
  max: UnitNDArray([18.64285714,  1.63298   , 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1246,
  element: 'H',
  position: UnitNDArray([18.64285714,  0.        , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1247,
  element: 'H',
  position: UnitNDArray([18.64285714,  1.63298   , 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1248,
  element: 'O',
  position: UnitNDArray([18.64285714,  0.81649   , 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1253,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  0.81649   , 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  0.        , 18.64285714]) Ang,
  max: UnitNDArray([18.64285714,  1.63298   , 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1250,
  element: 'H',
  position: UnitNDArray([18.64285714,  0.        , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1251,
  element: 'H',
  position: UnitNDArray([18.64285714,  1.63298   , 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1252,
  element: 'O',
  position: UnitNDArray([18.64285714,  0.81649   , 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1257,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  3.92363286,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  3.10714286,  0.        ]) Ang,
  max: UnitNDArray([18.64285714,  4.74012286,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1254,
  element: 'H',
  position: UnitNDArray([18.64285714,  3.10714286,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1255,
  element: 'H',
  position: UnitNDArray([18.64285714,  4.74012286,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1256,
  element: 'O',
  position: UnitNDArray([18.64285714,  3.92363286,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1261,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  3.92363286,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  3.10714286,  3.10714286]) Ang,
  max: UnitNDArray([18.64285714,  4.74012286,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1258,
  element: 'H',
  position: UnitNDArray([18.64285714,  3.10714286,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1259,
  element: 'H',
  position: UnitNDArray([18.64285714,  4.74012286,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1260,
  element: 'O',
  position: UnitNDArray([18.64285714,  3.92363286,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1265,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  3.92363286,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  3.10714286,  6.21428571]) Ang,
  max: UnitNDArray([18.64285714,  4.74012286,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1262,
  element: 'H',
  position: UnitNDArray([18.64285714,  3.10714286,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1263,
  element: 'H',
  position: UnitNDArray([18.64285714,  4.74012286,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1264,
  element: 'O',
  position: UnitNDArray([18.64285714,  3.92363286,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1269,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  3.92363286,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  3.10714286,  9.32142857]) Ang,
  max: UnitNDArray([18.64285714,  4.74012286,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1266,
  element: 'H',
  position: UnitNDArray([18.64285714,  3.10714286,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1267,
  element: 'H',
  position: UnitNDArray([18.64285714,  4.74012286,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1268,
  element: 'O',
  position: UnitNDArray([18.64285714,  3.92363286,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1273,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  3.92363286, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  3.10714286, 12.42857143]) Ang,
  max: UnitNDArray([18.64285714,  4.74012286, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1270,
  element: 'H',
  position: UnitNDArray([18.64285714,  3.10714286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1271,
  element: 'H',
  position: UnitNDArray([18.64285714,  4.74012286, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1272,
  element: 'O',
  position: UnitNDArray([18.64285714,  3.92363286, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1277,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  3.92363286, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  3.10714286, 15.53571429]) Ang,
  max: UnitNDArray([18.64285714,  4.74012286, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1274,
  element: 'H',
  position: UnitNDArray([18.64285714,  3.10714286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1275,
  element: 'H',
  position: UnitNDArray([18.64285714,  4.74012286, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1276,
  element: 'O',
  position: UnitNDArray([18.64285714,  3.92363286, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1281,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  3.92363286, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  3.10714286, 18.64285714]) Ang,
  max: UnitNDArray([18.64285714,  4.74012286, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1278,
  element: 'H',
  position: UnitNDArray([18.64285714,  3.10714286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1279,
  element: 'H',
  position: UnitNDArray([18.64285714,  4.74012286, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1280,
  element: 'O',
  position: UnitNDArray([18.64285714,  3.92363286, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1285,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  7.03077571,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  6.21428571,  0.        ]) Ang,
  max: UnitNDArray([18.64285714,  7.84726571,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1282,
  element: 'H',
  position: UnitNDArray([18.64285714,  6.21428571,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1283,
  element: 'H',
  position: UnitNDArray([18.64285714,  7.84726571,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1284,
  element: 'O',
  position: UnitNDArray([18.64285714,  7.03077571,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1289,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  7.03077571,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  6.21428571,  3.10714286]) Ang,
  max: UnitNDArray([18.64285714,  7.84726571,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1286,
  element: 'H',
  position: UnitNDArray([18.64285714,  6.21428571,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1287,
  element: 'H',
  position: UnitNDArray([18.64285714,  7.84726571,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1288,
  element: 'O',
  position: UnitNDArray([18.64285714,  7.03077571,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1293,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  7.03077571,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  6.21428571,  6.21428571]) Ang,
  max: UnitNDArray([18.64285714,  7.84726571,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1290,
  element: 'H',
  position: UnitNDArray([18.64285714,  6.21428571,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1291,
  element: 'H',
  position: UnitNDArray([18.64285714,  7.84726571,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1292,
  element: 'O',
  position: UnitNDArray([18.64285714,  7.03077571,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1297,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  7.03077571,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  6.21428571,  9.32142857]) Ang,
  max: UnitNDArray([18.64285714,  7.84726571,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1294,
  element: 'H',
  position: UnitNDArray([18.64285714,  6.21428571,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1295,
  element: 'H',
  position: UnitNDArray([18.64285714,  7.84726571,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1296,
  element: 'O',
  position: UnitNDArray([18.64285714,  7.03077571,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1301,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  7.03077571, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  6.21428571, 12.42857143]) Ang,
  max: UnitNDArray([18.64285714,  7.84726571, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1298,
  element: 'H',
  position: UnitNDArray([18.64285714,  6.21428571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1299,
  element: 'H',
  position: UnitNDArray([18.64285714,  7.84726571, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1300,
  element: 'O',
  position: UnitNDArray([18.64285714,  7.03077571, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1305,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  7.03077571, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  6.21428571, 15.53571429]) Ang,
  max: UnitNDArray([18.64285714,  7.84726571, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1302,
  element: 'H',
  position: UnitNDArray([18.64285714,  6.21428571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1303,
  element: 'H',
  position: UnitNDArray([18.64285714,  7.84726571, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1304,
  element: 'O',
  position: UnitNDArray([18.64285714,  7.03077571, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1309,
  formula: 'H2O',
  position: UnitNDArray([18.64285714,  7.03077571, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  6.21428571, 18.64285714]) Ang,
  max: UnitNDArray([18.64285714,  7.84726571, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1306,
  element: 'H',
  position: UnitNDArray([18.64285714,  6.21428571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1307,
  element: 'H',
  position: UnitNDArray([18.64285714,  7.84726571, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1308,
  element: 'O',
  position: UnitNDArray([18.64285714,  7.03077571, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1313,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 10.13791857,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  9.32142857,  0.        ]) Ang,
  max: UnitNDArray([18.64285714, 10.95440857,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1310,
  element: 'H',
  position: UnitNDArray([18.64285714,  9.32142857,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1311,
  element: 'H',
  position: UnitNDArray([18.64285714, 10.95440857,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1312,
  element: 'O',
  position: UnitNDArray([18.64285714, 10.13791857,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1317,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 10.13791857,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  9.32142857,  3.10714286]) Ang,
  max: UnitNDArray([18.64285714, 10.95440857,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1314,
  element: 'H',
  position: UnitNDArray([18.64285714,  9.32142857,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1315,
  element: 'H',
  position: UnitNDArray([18.64285714, 10.95440857,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1316,
  element: 'O',
  position: UnitNDArray([18.64285714, 10.13791857,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1321,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 10.13791857,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  9.32142857,  6.21428571]) Ang,
  max: UnitNDArray([18.64285714, 10.95440857,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1318,
  element: 'H',
  position: UnitNDArray([18.64285714,  9.32142857,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1319,
  element: 'H',
  position: UnitNDArray([18.64285714, 10.95440857,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1320,
  element: 'O',
  position: UnitNDArray([18.64285714, 10.13791857,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1325,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 10.13791857,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  9.32142857,  9.32142857]) Ang,
  max: UnitNDArray([18.64285714, 10.95440857,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1322,
  element: 'H',
  position: UnitNDArray([18.64285714,  9.32142857,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1323,
  element: 'H',
  position: UnitNDArray([18.64285714, 10.95440857,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1324,
  element: 'O',
  position: UnitNDArray([18.64285714, 10.13791857,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1329,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 10.13791857, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  9.32142857, 12.42857143]) Ang,
  max: UnitNDArray([18.64285714, 10.95440857, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1326,
  element: 'H',
  position: UnitNDArray([18.64285714,  9.32142857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1327,
  element: 'H',
  position: UnitNDArray([18.64285714, 10.95440857, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1328,
  element: 'O',
  position: UnitNDArray([18.64285714, 10.13791857, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1333,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 10.13791857, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  9.32142857, 15.53571429]) Ang,
  max: UnitNDArray([18.64285714, 10.95440857, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1330,
  element: 'H',
  position: UnitNDArray([18.64285714,  9.32142857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1331,
  element: 'H',
  position: UnitNDArray([18.64285714, 10.95440857, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1332,
  element: 'O',
  position: UnitNDArray([18.64285714, 10.13791857, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1337,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 10.13791857, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714,  9.32142857, 18.64285714]) Ang,
  max: UnitNDArray([18.64285714, 10.95440857, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1334,
  element: 'H',
  position: UnitNDArray([18.64285714,  9.32142857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1335,
  element: 'H',
  position: UnitNDArray([18.64285714, 10.95440857, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1336,
  element: 'O',
  position: UnitNDArray([18.64285714, 10.13791857, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1341,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 13.24506143,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 12.42857143,  0.        ]) Ang,
  max: UnitNDArray([18.64285714, 14.06155143,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1338,
  element: 'H',
  position: UnitNDArray([18.64285714, 12.42857143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1339,
  element: 'H',
  position: UnitNDArray([18.64285714, 14.06155143,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1340,
  element: 'O',
  position: UnitNDArray([18.64285714, 13.24506143,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1345,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 13.24506143,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 12.42857143,  3.10714286]) Ang,
  max: UnitNDArray([18.64285714, 14.06155143,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1342,
  element: 'H',
  position: UnitNDArray([18.64285714, 12.42857143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1343,
  element: 'H',
  position: UnitNDArray([18.64285714, 14.06155143,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1344,
  element: 'O',
  position: UnitNDArray([18.64285714, 13.24506143,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1349,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 13.24506143,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 12.42857143,  6.21428571]) Ang,
  max: UnitNDArray([18.64285714, 14.06155143,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1346,
  element: 'H',
  position: UnitNDArray([18.64285714, 12.42857143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1347,
  element: 'H',
  position: UnitNDArray([18.64285714, 14.06155143,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1348,
  element: 'O',
  position: UnitNDArray([18.64285714, 13.24506143,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1353,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 13.24506143,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 12.42857143,  9.32142857]) Ang,
  max: UnitNDArray([18.64285714, 14.06155143,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1350,
  element: 'H',
  position: UnitNDArray([18.64285714, 12.42857143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1351,
  element: 'H',
  position: UnitNDArray([18.64285714, 14.06155143,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1352,
  element: 'O',
  position: UnitNDArray([18.64285714, 13.24506143,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1357,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 13.24506143, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 12.42857143, 12.42857143]) Ang,
  max: UnitNDArray([18.64285714, 14.06155143, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1354,
  element: 'H',
  position: UnitNDArray([18.64285714, 12.42857143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1355,
  element: 'H',
  position: UnitNDArray([18.64285714, 14.06155143, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1356,
  element: 'O',
  position: UnitNDArray([18.64285714, 13.24506143, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1361,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 13.24506143, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 12.42857143, 15.53571429]) Ang,
  max: UnitNDArray([18.64285714, 14.06155143, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1358,
  element: 'H',
  position: UnitNDArray([18.64285714, 12.42857143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1359,
  element: 'H',
  position: UnitNDArray([18.64285714, 14.06155143, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1360,
  element: 'O',
  position: UnitNDArray([18.64285714, 13.24506143, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1365,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 13.24506143, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 12.42857143, 18.64285714]) Ang,
  max: UnitNDArray([18.64285714, 14.06155143, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1362,
  element: 'H',
  position: UnitNDArray([18.64285714, 12.42857143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1363,
  element: 'H',
  position: UnitNDArray([18.64285714, 14.06155143, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1364,
  element: 'O',
  position: UnitNDArray([18.64285714, 13.24506143, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1369,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 16.35220429,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 15.53571429,  0.        ]) Ang,
  max: UnitNDArray([18.64285714, 17.16869429,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1366,
  element: 'H',
  position: UnitNDArray([18.64285714, 15.53571429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1367,
  element: 'H',
  position: UnitNDArray([18.64285714, 17.16869429,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1368,
  element: 'O',
  position: UnitNDArray([18.64285714, 16.35220429,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1373,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 16.35220429,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 15.53571429,  3.10714286]) Ang,
  max: UnitNDArray([18.64285714, 17.16869429,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1370,
  element: 'H',
  position: UnitNDArray([18.64285714, 15.53571429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1371,
  element: 'H',
  position: UnitNDArray([18.64285714, 17.16869429,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1372,
  element: 'O',
  position: UnitNDArray([18.64285714, 16.35220429,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1377,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 16.35220429,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 15.53571429,  6.21428571]) Ang,
  max: UnitNDArray([18.64285714, 17.16869429,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1374,
  element: 'H',
  position: UnitNDArray([18.64285714, 15.53571429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1375,
  element: 'H',
  position: UnitNDArray([18.64285714, 17.16869429,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1376,
  element: 'O',
  position: UnitNDArray([18.64285714, 16.35220429,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1381,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 16.35220429,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 15.53571429,  9.32142857]) Ang,
  max: UnitNDArray([18.64285714, 17.16869429,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1378,
  element: 'H',
  position: UnitNDArray([18.64285714, 15.53571429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1379,
  element: 'H',
  position: UnitNDArray([18.64285714, 17.16869429,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1380,
  element: 'O',
  position: UnitNDArray([18.64285714, 16.35220429,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1385,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 16.35220429, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 15.53571429, 12.42857143]) Ang,
  max: UnitNDArray([18.64285714, 17.16869429, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1382,
  element: 'H',
  position: UnitNDArray([18.64285714, 15.53571429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1383,
  element: 'H',
  position: UnitNDArray([18.64285714, 17.16869429, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1384,
  element: 'O',
  position: UnitNDArray([18.64285714, 16.35220429, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1389,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 16.35220429, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 15.53571429, 15.53571429]) Ang,
  max: UnitNDArray([18.64285714, 17.16869429, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1386,
  element: 'H',
  position: UnitNDArray([18.64285714, 15.53571429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1387,
  element: 'H',
  position: UnitNDArray([18.64285714, 17.16869429, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1388,
  element: 'O',
  position: UnitNDArray([18.64285714, 16.35220429, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1393,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 16.35220429, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 15.53571429, 18.64285714]) Ang,
  max: UnitNDArray([18.64285714, 17.16869429, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1390,
  element: 'H',
  position: UnitNDArray([18.64285714, 15.53571429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1391,
  element: 'H',
  position: UnitNDArray([18.64285714, 17.16869429, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1392,
  element: 'O',
  position: UnitNDArray([18.64285714, 16.35220429, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1397,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 19.45934714,  0.51275077]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 18.64285714,  0.        ]) Ang,
  max: UnitNDArray([18.64285714, 20.27583714,  0.57736   ]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1394,
  element: 'H',
  position: UnitNDArray([18.64285714, 18.64285714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1395,
  element: 'H',
  position: UnitNDArray([18.64285714, 20.27583714,  0.        ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1396,
  element: 'O',
  position: UnitNDArray([18.64285714, 19.45934714,  0.57736   ]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1401,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 19.45934714,  3.61989363]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 18.64285714,  3.10714286]) Ang,
  max: UnitNDArray([18.64285714, 20.27583714,  3.68450286]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1398,
  element: 'H',
  position: UnitNDArray([18.64285714, 18.64285714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1399,
  element: 'H',
  position: UnitNDArray([18.64285714, 20.27583714,  3.10714286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1400,
  element: 'O',
  position: UnitNDArray([18.64285714, 19.45934714,  3.68450286]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1405,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 19.45934714,  6.72703648]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 18.64285714,  6.21428571]) Ang,
  max: UnitNDArray([18.64285714, 20.27583714,  6.79164571]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1402,
  element: 'H',
  position: UnitNDArray([18.64285714, 18.64285714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1403,
  element: 'H',
  position: UnitNDArray([18.64285714, 20.27583714,  6.21428571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1404,
  element: 'O',
  position: UnitNDArray([18.64285714, 19.45934714,  6.79164571]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1409,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 19.45934714,  9.83417934]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 18.64285714,  9.32142857]) Ang,
  max: UnitNDArray([18.64285714, 20.27583714,  9.89878857]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1406,
  element: 'H',
  position: UnitNDArray([18.64285714, 18.64285714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1407,
  element: 'H',
  position: UnitNDArray([18.64285714, 20.27583714,  9.32142857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1408,
  element: 'O',
  position: UnitNDArray([18.64285714, 19.45934714,  9.89878857]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1413,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 19.45934714, 12.9413222 ]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 18.64285714, 12.42857143]) Ang,
  max: UnitNDArray([18.64285714, 20.27583714, 13.00593143]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1410,
  element: 'H',
  position: UnitNDArray([18.64285714, 18.64285714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1411,
  element: 'H',
  position: UnitNDArray([18.64285714, 20.27583714, 12.42857143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1412,
  element: 'O',
  position: UnitNDArray([18.64285714, 19.45934714, 13.00593143]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1417,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 19.45934714, 16.04846505]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 18.64285714, 15.53571429]) Ang,
  max: UnitNDArray([18.64285714, 20.27583714, 16.11307429]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1414,
  element: 'H',
  position: UnitNDArray([18.64285714, 18.64285714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1415,
  element: 'H',
  position: UnitNDArray([18.64285714, 20.27583714, 15.53571429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1416,
  element: 'O',
  position: UnitNDArray([18.64285714, 19.45934714, 16.11307429]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>, <Molecule
 {name: 'water',
  ID: 1421,
  formula: 'H2O',
  position: UnitNDArray([18.64285714, 19.45934714, 19.15560791]) Ang,
  velocity: UnitNDArray([0, 0, 0]) Ang / fs,
  bounding_box: <BoundingBox
 {min: UnitNDArray([18.64285714, 18.64285714, 18.64285714]) Ang,
  max: UnitNDArray([18.64285714, 20.27583714, 19.22021714]) Ang,
  volume: 0.0 Ang ^ 3}>,
  atoms: [<Atom
 {name: 'H',
  ID: 1418,
  element: 'H',
  position: UnitNDArray([18.64285714, 18.64285714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'H',
  ID: 1419,
  element: 'H',
  position: UnitNDArray([18.64285714, 20.27583714, 18.64285714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>, <Atom
 {name: 'O',
  ID: 1420,
  element: 'O',
  position: UnitNDArray([18.64285714, 19.45934714, 19.22021714]) Ang,
  velocity: UnitNDArray([0., 0., 0.]) Ang / fs}>]}>]

Configuration of interactions

[33]:
print('There are {0} total interactions in the Universe:\n{1}'
      ''.format(universe.n_interactions, universe.interactions))
There are 1032 total interactions in the Universe:
[<Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <BondAngle
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 109.47 deg,
         unit: 'deg',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 383.0 kJ / mol rad ^ 2,
         unit: 'kJ / mol rad ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'BondAngle',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equilibrium_state',
         value: 1.0 Ang,
         unit: 'Ang',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ,
       <Parameter
        {name: 'potential_strength',
         value: 4637.0 kJ / mol Ang ^ 2,
         unit: 'kJ / mol Ang ^ 2',
         fixed: False,
         constraints: None,
         interactions_name: 'Bond',
         functions_name: 'HarmonicPotential',
         tied: False}>                       ], dtype=object)}>,
  constrained: True}>, <Bond
 {function: <HarmonicPotential
 {parameters: array([<Parameter
        {name: 'equil