element: Cl lattice type: sc modelname: Sim_LAMMPS_ReaxFF_BrugnoliMiyataniAkaji_SiCeNaClHO_2023__SM_282799919035_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -0.002431 Iterations: 33 Function evaluations: 67 {'lattice_constant': 5.719072669744492, 'cohesive_energy': 0.0024310407315379593, 'element': 'Cl', 'species': 'Cl', 'crystal_structure': 'sc', 'space_group': 'Pm-3m', 'wyckoff_code': '1a', 'basis_atoms': '[[0.0 0.0 0.0]]', 'iterations': 33, 'func_calls': 67, 'warnflag': 0, 'repeat': 0}