../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Mg Si A2B_hP6_194_ac_d a c/a standard 1 4.6422 1.3036707 Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000