../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Al Pt A3B5_oP16_55_ah_cgh a b/a c/a x3 y3 x4 y4 x5 y5 standard 1 5.4265 1.9859209 0.73459873 0.92081273 0.77049895 0.67210799 0.858283 0.70178863 0.60629175 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000