../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner H Na O Si A3BC6D2_oF192_43_3b_b_6b_2b a b/a c/a x1 y1 z1 x2 y2 z2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 x7 y7 z7 x8 y8 z8 x9 y9 z9 x10 y10 z10 x11 y11 z11 x12 y12 z12 standard 1 18.3115 0.8922262 0.39348497 0.36286373 0.23380678 0.7453673 0.36939137 0.2445178 0.52623677 0.32401607 0.16275425 0.96596173 0.48697395 0.11010445 0.88614754 0.41280568 0.080704381 0.42903961 0.27396152 0.089172575 0.31542403 0.33412588 0.2412522 0.62849995 0.3936987 0.20835124 0.96317775 0.27523278 0.13014206 0.94951079 0.43477789 0.23486207 0.32231612 0.47570297 0.14736911 0.37460131 0.34167617 0.025210689 0.3703171 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000