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



[{'prototype-label': {'source-value': 'A2B2C2D_oP28_62_2c_2c_2c_c'}, 'stoichiometric-species': {'source-value': ['C', 'H', 'N', 'O']}, 'a': {'source-value': 8.498, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [0.69088021, 0.84652859, 0.23824088, 0.40103041, 0.12707497, 0.55921041, 0.42311463, 0.58621989, 0.47690476, 0.34984254, 0.38922867, 0.44908152, 0.029477738, 0.67275155, 0.18283483, 0.24090239]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_245273803065_000']]}, 'duplicate_reference_data': []}]