../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Fe Si A5B3_hP16_193_dg_g a c/a x2 x3 standard 1 6.9378 0.68768197 0.76519901 0.39902109 Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000