../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Fe O A3B4_mP28_10_acehmno_2m2n2o a b/a c/a beta x5 z5 x6 z6 x7 z7 x8 z8 x9 z9 x10 z10 x11 y11 z11 x12 y12 z12 x13 y13 z13 standard 1 8.5614 0.70451094 0.70434742 90.1726 0.37389854 0.75109717 0.7590439 0.98767972 0.23806418 0.4894185 0.1183548 0.74726632 0.75416724 0.98815327 0.24707914 0.48395959 0.25124914 0.7481416 0.24665059 0.0074964933 0.76677982 0.25555674 0.48960413 0.74751138 0.24974757 Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000