../../td/EquilibriumCrystalStructure__TD_457028483760_003/runner Sim_LAMMPS_reaxFF_FthenakisPetsalakisTozzini_2022_CHON__SM_198543900691_000 [{'prototype-label': {'source-value': 'A2B9C3D3_oP68_33_2a_9a_3a_3a'}, 'stoichiometric-species': {'source-value': ['C', 'H', 'N', 'O']}, 'a': {'source-value': 14.0628, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [0.41522314, 0.56471684, 0.33164218, 0.42195396, 0.93935049, 0.40476398, 0.079945303, 0.80771984, 0.36006333, 0.52201424, 0.83429616, 0.33313145, 0.52368505, 0.05504208, 0.25912222, 0.36247444, 0.91360926, 0.43713273, 0.19118481, 0.71282606, 0.45132068, 0.93438908, 0.83479565, 0.33459197, 0.020359202, 0.76695468, 0.35589333, 0.16751825, 0.20471393, 0.29159219, 0.020852277, 0.063978613, 0.46240139, 0.27037641, 0.99999076, 0.10314774, 0.0054504892, 0.91805885, 0.39330068, 0.21597147, 0.96528373, 0.35979261, 0.066532438, 0.098682496, 0.086356083, 0.16789761, 0.020997443, 0.040244383, 0.94319664, 0.8141409, 0.1836891, 0.9057916, 0.92015908]}, 'crystal-genome-source-structure-id': {'source-value': [['RD_721420564438_000']]}, 'duplicate_reference_data': []}]