../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hR36_167_d3e_f a c/a x2 x3 x4 x5 y5 z5 standard 1 18.495835 0.43159045 0.020579551 0.68021076 0.53326218 0.13879863 0.97185949 0.5430304 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000