../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Pd Ti A2B_oI6_71_e_a a b/a c/a x2 standard 1 8.6976 0.38747471 0.36961921 0.34142748 MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002