../../td/EquilibriumCrystalStructure__TD_457028483760_000/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 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000