../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Pt Ti A8B_tI18_139_hi_a a c/a x2 x3 standard 1 8.3895 0.46865725 0.66233709 0.6706825 MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002