../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Ag A_hP2_194_c a c/a standard 1 2.933 1.6373338 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000