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



[{'prototype-label': {'source-value': 'A2B8C6D7_mC92_15_2e_4f_2e2f_e3f'}, 'stoichiometric-species': {'source-value': ['C', 'H', 'N', 'O']}, 'a': {'source-value': 8.4873, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [1.7257667, 0.95356592, 76.0083, 0.11423067, 0.55940419, 0.21477929, 0.46788215, 0.78828735, 0.30342109, 0.92802422, 0.95443443, 0.39011233, 0.82482742, 0.85910214, 0.40904559, 0.067581493, 0.82891989, 0.55910348, 0.67130908, 0.80991174, 0.11098933, 0.92793615, 0.61971467, 0.38508263, 0.89453229, 0.86077231, 0.40215415, 0.24676394, 0.6821827, 0.19057575, 0.87624842, 0.50303627, 0.13219159, 0.01278729, 0.62076908]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_699899173096_000']]}, 'duplicate_reference_data': []}]