../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_cI72_199_2bc_c a x1 x2 x3 y3 z3 x4 y4 z4 standard 1 10.1728 0.58143307 0.82403591 0.00554944 0.90046439 0.11216416 0.86610193 0.98215625 0.096318836 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000