element: Zr lattice type: fcc modelname: EAM_Mendelev_2019_CuZr__MO_945018740343_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -25.752455 Iterations: 31 Function evaluations: 66 {'lattice_constant': 4.544677734375, 'cohesive_energy': 6.4381136605682, 'element': 'Zr', 'species': 'Zr" "Zr" "Zr" "Zr', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 31, 'func_calls': 66, 'warnflag': 0, 'repeat': 0}