../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Al Pt A3B2_hP5_164_ad_d a c/a z2 z3 standard 1 4.2174 1.2341253 0.64850451 0.16876856 MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002