../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Cl O Si A2B3C2_hR28_148_cf_2f_cf a c/a x1 x2 x3 y3 z3 x4 y4 z4 x5 y5 z5 x6 y6 z6 standard 1 12.914855 1.0446938 0.64915585 0.7987657 0.85882145 0.24288998 0.55282457 0.82786707 0.96287248 0.72505719 0.87176936 0.23990936 0.89432783 0.91896771 0.13751542 0.74289766 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000