../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Pd Ti A3B2_oC20_63_cg_g a b/a c/a y1 x2 y2 x3 y3 standard 1 14.4661 0.32731697 0.32657731 0.26879299 0.30539841 0.7715998 0.39420828 0.26366438 MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002