../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner C A_hR10_166_5c a c/a x1 x2 x3 x4 x5 standard 1 2.520284 12.343259 0.02482583 0.10867917 0.15836583 0.37486231 0.42531454 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000