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



[{'prototype-label': {'source-value': 'A2B_cP72_205_2d_d'}, 'stoichiometric-species': {'source-value': ['C', 'N']}, 'a': {'source-value': 11.056, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [0.092523766, 0.91221875, 0.99547365, 0.18592766, 0.82371183, 0.99079663, 0.26210555, 0.7509167, 0.98631112]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_858211538641_000']]}, 'duplicate_reference_data': ['RD_364112726847_000', 'RD_241618801957_000']}]