../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Pd Ti A2B_tI6_139_e_a a c/a z2 standard 1 3.2897 2.6349211 0.65869121 MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002