../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hR36_166_2fgh_i a c/a x1 x2 x3 x4 z4 x5 y5 z5 standard 1 18.341729 0.39545162 0.43632765 0.28420802 0.72413643 0.18764467 0.67474924 0.78935612 0.22947111 0.62867751 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000