../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Pt Ti A3B_hP16_194_gh_ac a c/a x4 standard 1 5.5878 1.6292995 0.83305759 MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002