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



[{'prototype-label': {'source-value': 'A2BC2_mP20_11_4e_2e_4e'}, 'stoichiometric-species': {'source-value': ['C', 'H', 'O']}, 'a': {'source-value': 6.2174, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [0.91419243, 0.99874546, 90.0979, 0.097038926, 0.79652128, 0.30541244, 0.89531951, 0.41068245, 0.68483054, 0.19379718, 0.58089939, 0.77801289, 0.7614316, 0.26739185, 0.21538768, 0.90580805, 0.87706109, 0.38326238, 0.087910201, 0.59923792, 0.61577829, 0.1218019, 0.39309693]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_225219372220_000']]}, 'duplicate_reference_data': []}]