../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner O Si A2B_oC72_63_def3g_2c2g a b/a c/a y1 y2 x4 y5 z5 x6 y6 x7 y7 x8 y8 x9 y9 x10 y10 standard 1 14.1001 1.2709342 0.37459309 0.38053741 0.72420645 0.73276095 0.32844391 0.9994081 0.40656221 0.93327103 0.59187686 0.27839884 0.22975944 0.876952 0.29368312 0.95204216 0.7059022 0.28869502 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000