../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oI108_71_egkl2n2o_hlno a b/a c/a x1 y2 y3 y5 z5 y6 z6 x7 y7 x8 y8 x9 y9 x10 y10 z10 x11 y11 z11 x12 y12 z12 standard 1 14.3344 1.3363726 0.52776538 0.28813351 0.25009714 0.65337261 0.70188128 0.67655793 0.22705716 0.20681202 0.71781097 0.65583024 0.40882094 0.10381604 0.29895378 0.083541868 0.090985543 0.17961002 0.25077624 0.74891487 0.61416299 0.67630327 0.70199044 0.67522333 0.79350697 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000