element=lattice type=modelname=Al fcc EAM_QuinticClampedSpline_ErcolessiAdams_1994_Al__MO_450093727396_002

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 2.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 3.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 3.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 3.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 3.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 4.0 Angstroms

Optimization terminated successfully.
         Current function value: -3.360000
         Iterations: 28
         Function evaluations: 58
{'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 3.3600000012955156, 'space_group': 'Fm-3m', 'element': 'Al', 'lattice_constant': 4.032082855701448, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 28, 'warnflag': 0, 'species': 'Al" "Al" "Al" "Al', 'func_calls': 58}