../../td/EquilibriumCrystalStructure__TD_457028483760_000/runner Ce A_hP2_194_c a c/a standard 1 3.2365 1.9351151 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000