../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Pt A3B2_hP10_164_abcd_2d a c/a z3 z4 z5 z6 standard 1 4.1124 2.6878951 0.22831489 0.33657854 0.10567094 0.59254441 MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002