../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Fe Si AB2_oC48_64_df_2g a b/a c/a x1 y2 z2 x3 y3 z3 x4 y4 z4 standard 1 9.8779 0.78117819 0.78998573 0.21624666 0.19293808 0.81591147 0.12823921 0.72690822 0.94929435 0.87298184 0.45617005 0.77278118 Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000