../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Na A_hR3_166_ac a c/a x2 standard 1 3.6721039 7.3193751 0.22222213 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000