../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oP36_60_3d_cd a b/a c/a y1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 standard 1 8.8081 1.2141438 0.55606771 0.72451015 0.80771218 0.040369478 0.12906703 0.60498374 0.30737472 0.045011411 0.89406112 0.36137916 0.95104446 0.22077286 0.084386976 0.05596462 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000