../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Fe O A2B3_hR10_167_c_e a c/a x1 x2 standard 3 4.9060262 2.7005411 0.65105974 0.94598855 5.150373 2.7010883 0.64620856 0.55367123 4.9554583 2.5440558 0.33966521 0.56645737 Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000