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



[{'prototype-label': {'source-value': 'AB_oP16_61_c_c'}, 'stoichiometric-species': {'source-value': ['C', 'N']}, 'a': {'source-value': 6.4135, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [1.1080689, 1.1273252, 0.91282667, 0.031712263, 0.95422764, 0.7646566, 0.085501238, 0.87642873]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_623839344561_000']]}, 'duplicate_reference_data': []}]