../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner C Pt AB_hP2_187_a_d a c/a standard 1 3.0042 0.95496305 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000