../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_tI48_121_fij_j a c/a x1 x2 z2 x3 y3 z3 x4 y4 z4 standard 1 9.2332 0.89951479 0.71687036 0.35495678 0.27080158 0.56980927 0.82271627 0.80791471 0.43718971 0.79500142 0.68171618 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000