../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_tI48_98_2cef_g a c/a z1 z2 x3 x4 x5 y5 z5 standard 1 5.8086 3.9063285 0.55799706 0.81446766 0.22553953 0.73478507 0.25137136 0.87305647 0.56156261 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000