../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Na A_hP4_194_ac a c/a standard 1 4.463 1.4525207 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000