../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner C Pt AB_cF8_216_a_c a standard 1 4.7065 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000