../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al Pd AB_hR26_148_a2f_b2f a c/a x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 standard 1 15.732393 0.33556832 0.5574733 0.84810628 0.59879838 0.25162269 0.65374741 0.096413033 0.056906892 0.34500705 0.098395144 0.75098957 0.15501208 0.59773116 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000