../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al Cu A3B2_hP5_164_ad_d a c/a z2 z3 standard 1 4.1367 1.2167912 0.6472319 0.1573935 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000