../../td/EquilibriumCrystalStructure__TD_457028483760_003/runner 
Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001



[{'prototype-label': {'source-value': 'A2B3_oC20_63_ac_cf'}, 'stoichiometric-species': {'source-value': ['Fe', 'O']}, 'a': {'source-value': 2.8526, 'source-unit': 'angstrom'}, 'parameter-values': {'source-value': [3.2612704, 2.4208091, 0.2525892, 0.90672289, 0.36062205, 0.93798884]}, 'library-prototype-label': {'source-value': 'A2B3_oC20_63_ac_cf-002'}, 'short-name': {'source-value': 'metal-oxide; Ga2O3, ICSD #162252'}, 'crystal-genome-source-structure-id': {'source-value': [['RD_077198079579_000']]}, 'duplicate_reference_data': []}]