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



[{'prototype-label': {'source-value': 'A2B8C2D3_oP60_33_2a_8a_2a_3a'}, 'stoichiometric-species': {'source-value': ['C', 'H', 'N', 'O']}, 'a': {'source-value': 10.0092, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [0.99696279, 0.58779922, 0.68691123, 0.43746514, 0.51896554, 0.71395007, 0.56366939, 0.87826171, 0.73877602, 0.40895898, 0.36257694, 0.59725778, 0.49539958, 0.47831656, 0.66121931, 0.3474838, 0.61611508, 0.80687377, 0.60623289, 0.57206579, 0.86499379, 0.46766254, 0.69825546, 0.78750107, 0.61879088, 0.9793786, 0.68248778, 0.47340845, 0.96970412, 0.62769556, 0.62737604, 0.83961232, 0.52998349, 0.79500019, 0.42786654, 0.77682682, 0.52145274, 0.66056026, 0.48901769, 0.89370861, 0.30602198, 0.45102464, 0.74310966, 0.57130468, 0.64759124, 0.75195863, 0.40299444]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_493193640538_000']]}, 'duplicate_reference_data': []}]