../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner Na O Si A2B3C_oC24_36_b_ab_a a b/a c/a y1 z1 y2 z2 x3 y3 z3 x4 y4 z4 standard 1 10.6166 0.57931918 0.4579338 0.91521239 0.88806025 0.84233416 0.55077816 0.33470307 0.16077174 0.014325286 0.37022628 0.21212096 0.49526244 Sim_LAMMPS_IFF_PCFF_HeinzMishraLinEmami_2015Ver1v5_FccmetalsMineralsSolventsPolymers__SM_039297821658_000