../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Pd Ti AB_oP4_51_e_f a b/a c/a z1 z2 standard 1 4.7336 0.62506338 1.0172173 0.69364212 0.2051957 MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002