../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner C A_hP12_194_e2f a c/a z1 z2 z3 standard 1 2.5213 4.9308293 0.18686753 0.52076763 0.6450971 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000