../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_tP36_92_3b_ab a c/a x1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 standard 1 9.8049 0.98682292 0.29165881 0.47111002 0.9864849 0.27185857 0.23816979 0.92545676 0.14980005 0.29589841 0.17607592 0.12307408 0.3716088 0.028223423 0.14453316 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000