../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al Pt AB2_oP24_51_afj_cf2ij a b/a c/a z3 z4 x5 z5 x6 z6 x7 z7 x8 z8 standard 1 16.3621 0.24056814 0.33424194 0.20782942 0.73012655 0.84403786 0.051512221 0.83236812 0.55590079 0.90774611 0.31354974 0.93170079 0.7991004 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000