../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Fe O A3B4_oI28_74_ace_hi a b/a c/a z3 y4 z4 x5 z5 standard 1 6.0373 1.0079837 1.427244 0.63042091 0.50535252 0.76159956 0.26606879 0.50043523 Sim_LAMMPS_ReaxFF_AryanpourVanDuinKubicki_2010_FeHO__SM_222964216001_001