../../td/EquilibriumCrystalStructure__TD_457028483760_001/runner O Si A2B_hP9_180_i_d a c/a x2 standard 1 5.1077 1.0935059 0.20837965 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000