../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hP36_162_2ijk_l a c/a x1 x2 x3 x4 z4 x5 y5 z5 standard 1 11.7334 0.37841546 0.18506348 0.41899331 0.2528736 0.3778118 0.65251892 0.31148063 0.46102213 0.21748308 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000