../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Fe O A2B3_oP20_60_d_cd a b/a c/a y1 x2 y2 z2 x3 y3 z3 standard 1 7.108 0.70741418 0.72540799 0.94957032 0.89541294 0.25601055 0.029220584 0.15255475 0.38575726 0.1043163 Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000