../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Pt Ti A5B3_oI32_72_afj_bj a b/a c/a x3 x4 y4 x5 y5 standard 1 11.0446 0.4956902 0.76012712 0.25839945 0.60138062 0.20866449 0.64647289 0.70388394 MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002