../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Fe Si AB2_tP3_123_a_h a c/a z2 standard 1 2.6773 1.9190602 0.27184568 Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000