../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner O Si A2B_hR18_166_def_h a c/a x3 x4 z4 standard 1 14.494826 0.34911994 0.17719566 0.80624867 0.18497582 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000