Converts a structure to a LammpsData object with no force field
    parameters and topologies.

    Args:
        structure (Structure): Input structure.
        ff_elements ([str]): List of strings of elements that must be
            present due to force field settings but not necessarily in
            the structure. Default to None.
        atom_style (str): Choose between "atomic" (neutral) and
            "charge" (charged). Default to "charge".

    Returns:
        LammpsData

def structure_2_lmpdata(structure, ff_elements=None, atom_style="charge"):
    """
    Converts a structure to a LammpsData object with no force field
    parameters and topologies.

    Args:
        structure (Structure): Input structure.
        ff_elements ([str]): List of strings of elements that must be
            present due to force field settings but not necessarily in
            the structure. Default to None.
        atom_style (str): Choose between "atomic" (neutral) and
            "charge" (charged). Default to "charge".

    Returns:
        LammpsData

    """
    s = structure.get_sorted_structure()

    a, b, c = s.lattice.abc
    m = s.lattice.matrix
    xhi = a
    xy = np.dot(m[1], m[0] / xhi)
    yhi = np.sqrt(b ** 2 - xy ** 2)
    xz = np.dot(m[2], m[0] / xhi)
    yz = (np.dot(m[1], m[2]) - xy * xz) / yhi
    zhi = np.sqrt(c ** 2 - xz ** 2 - yz ** 2)
    box_bounds = [[0.0, xhi], [0.0, yhi], [0.0, zhi]]
    box_tilt = [xy, xz, yz]
    box_tilt = None if not any(box_tilt) else box_tilt
    box = LammpsBox(box_bounds, box_tilt)
    new_latt = Lattice([[xhi, 0, 0], [xy, yhi, 0], [xz, yz, zhi]])
    s.lattice = new_latt

    symbols = list(s.symbol_set)
    if ff_elements:
        symbols.extend(ff_elements)
    elements = sorted(Element(el) for el in set(symbols))
    mass_info = [tuple([i.symbol] * 2) for i in elements]
    ff = ForceField(mass_info)
    topo = Topology(s)
    return LammpsData.from_ff_and_topologies(box=box, ff=ff, topologies=[topo],
                                             atom_style=atom_style)