element=lattice type=modelname=Al fcc EAM_Dynamo_ErcolessiAdams_1994_Al__MO_123629422045_005

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: 26
         Function evaluations: 54
{'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': 3.3600000013133804, 'space_group': 'Fm-3m', 'element': 'Al', 'lattice_constant': 4.032081997394562, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 26, 'warnflag': 0, 'species': 'Al" "Al" "Al" "Al', 'func_calls': 54}