../../td/EquilibriumCrystalStructure__TD_457028483760_003/runner Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 [{'prototype-label': {'source-value': 'A2B8C6D3_mP76_14_2e_8e_6e_3e'}, 'stoichiometric-species': {'source-value': ['C', 'H', 'N', 'O']}, 'a': {'source-value': 6.9569, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [1.7206083, 2.1102071, 132.882, 0.84992275, 0.92035537, 0.1444291, 0.962181, 0.83008692, 0.043092705, 0.59791889, 0.85539854, 0.15964054, 0.53741868, 0.8141208, 0.026765715, 0.87246185, 0.99939667, 0.27643151, 0.14600579, 0.011827624, 0.2899805, 0.06259851, 0.6627052, 0.07508879, 0.95516801, 0.71520272, 0.14250986, 0.99456703, 0.92288307, 0.93695448, 0.94548202, 0.77819132, 0.90657665, 0.99784869, 0.84304374, 0.96413235, 0.96631745, 0.72515852, 0.077772184, 0.93725933, 0.92209044, 0.086211877, 0.95200989, 0.99344017, 0.23717793, 0.6538394, 0.8532572, 0.1102447, 0.60420545, 0.9491863, 0.3342471, 0.59854607, 0.8560867, 0.29023983, 0.71684794, 0.032622826, 0.33252802, 0.50381398, 0.95948905, 0.37931986]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_141515948663_000']]}, 'duplicate_reference_data': []}]