../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Ag O A2B_hP3_164_d_a a c/a z2 standard 1 3.4707 1.2934278 0.72446215 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000