../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Cu Pt AB7_cF32_225_a_bd a standard 1 7.8365 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000