../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Na A_hP2_194_c a c/a standard 1 3.669 1.6326519 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000