../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O A_mC4_12_i a b/a c/a beta x1 z1 standard 2 6.1332 0.61429596 0.89643253 135.4539 0.097219577 0.15969399 4.8144 0.81652958 0.98066218 141.8659 0.18473196 0.088770687 Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_000