../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Ag O A3B_hP8_162_k_c a c/a x2 z2 standard 1 5.4927 0.90287108 0.69263322 0.72688523 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000