../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al Pt A3B2_hP5_164_ad_d a c/a z2 z3 standard 1 4.2174 1.2341253 0.64850451 0.16876856 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000