element: Al lattice type: diamond modelname: EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -21.947606 Iterations: 33 Function evaluations: 68 {'lattice_constant': 6.016909897327423, 'cohesive_energy': 2.7434507540990487, 'element': 'Al', 'species': 'Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al', 'crystal_structure': 'diamond', 'space_group': 'Fd-3m', 'wyckoff_code': '8a', 'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'iterations': 33, 'func_calls': 68, 'warnflag': 0, 'repeat': 0}