../../td/EquilibriumCrystalStructure__TD_457028483760_003/runner 
Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000



[{'prototype-label': {'source-value': 'A2B10C2D5_oP38_18_c_5c_c_a2c'}, 'stoichiometric-species': {'source-value': ['C', 'H', 'N', 'O']}, 'a': {'source-value': 8.0174, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [1.2858034, 0.4833113, 0.19409424, 0.90702808, 0.47598852, 0.070202081, 0.9020535, 0.019411385, 0.044083369, 0.52277478, 0.23093938, 0.26783714, 0.56673788, 0.35172311, 0.56389021, 0.71324147, 0.30099841, 0.27417955, 0.65155603, 0.20036088, 0.6041027, 0.61332131, 0.27174555, 0.42924508, 0.79499855, 0.55888524, 0.13969828, 0.88128151, 0.35691894, 0.0039016867]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_449945751302_000']]}, 'duplicate_reference_data': ['RD_116794051317_000', 'RD_589885144890_000', 'RD_515886279582_000', 'RD_367847708517_000']}]