../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Fe O A2B3_oP40_33_4a_6a a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 standard 1 5.2225 1.7160555 1.8387362 0.31329433 0.34467309 0.14531544 0.32582744 0.029303822 0.35890346 0.31664296 0.66068595 0.37153969 0.17858437 0.8505704 0.060612529 0.97429808 0.01392579 0.99531722 0.013327093 0.32360957 0.99112222 0.023258967 0.66890397 0.0020672327 0.15946543 0.49655363 0.26692549 0.16075042 0.8393471 0.26129745 0.15547153 0.1681559 0.23439927 Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000