../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Pd Ti A3B_hP16_194_gh_ac a c/a x4 standard 1 5.5558 1.6459196 0.83327078 MEAM_LAMMPS_JeongParkDo_2018_PdTi__MO_086900950763_002