../../td/EquilibriumCrystalStructure__TD_457028483760_002/runner Ce A_oC4_63_c a b/a c/a y1 standard 1 3.2971 1.8039186 1.7323102 0.12463338 Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000