../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_oP24_19_4a_2a a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 standard 1 7.2487 0.9996965 1.0061804 0.57779435 0.67725861 0.6125175 0.18276746 0.070077944 0.63461906 0.62549865 0.1164156 0.18068362 0.10562964 0.64068751 0.076462409 0.99307762 0.48004391 0.97044983 0.22077858 0.75218988 0.23092196 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000