../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cu Mg AB2_oF48_70_e_ef a b/a c/a x1 x2 y3 standard 1 22.1695 0.36500147 0.076961591 0.80038325 0.035567123 0.50381643 Sim_LAMMPS_MEAM_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__SM_656517352485_000