../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al Pd AB5_oP24_62_c_5c a b/a c/a x1 z1 x2 z2 x3 z3 x4 z4 x5 z5 x6 z6 standard 1 10.8451 0.3703147 0.75421158 0.082272996 0.11911481 0.2960876 0.78786714 0.0414814 0.78580356 0.33887903 0.45906783 0.069998985 0.4296433 0.31584445 0.11759371 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000