../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oF96_70_c2ef_h a b/a c/a x2 x3 y4 x5 y5 z5 standard 2 23.1196 0.44497742 0.24145746 0.077396289 0.46547469 0.34283661 0.5590892 0.77528365 0.089550361 20.9372 0.72641518 0.22804864 0.329187 0.78556907 0.24887005 0.30838116 0.05888263 0.36670251 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000