../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oC108_65_ehnopq2r_gopr a b/a c/a x2 x3 y4 z4 x5 z5 x6 z6 x7 y7 x8 y8 x9 y9 x10 y10 z10 x11 y11 z11 x12 y12 z12 standard 1 18.9729 0.75999979 0.40039741 0.7313336 0.82631928 0.78368714 0.2456277 0.78028656 0.17541145 0.85088729 0.29483481 0.18054065 0.40976881 0.8271807 0.70205104 0.90283408 0.77766497 0.3984943 0.40905487 0.25170356 0.86964889 0.73249458 0.17602802 0.91769339 0.80116456 0.29383603 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000