element=lattice type=modelname=Al fcc EAM_Dynamo_LiuErcolessiAdams_2004_Al__MO_051157671505_000

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


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


Attempting to perform relaxation using initial lattice constant guess of 4.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 4.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 5.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 5.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 5.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 5.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 6.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 6.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 6.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 6.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 7.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 7.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 7.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 7.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 8.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 8.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 8.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 8.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 9.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 9.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 9.5 Angstroms

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 27
         Function evaluations: 80
{'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': -0.0, 'space_group': 'Fm-3m', 'element': 'Al', 'lattice_constant': 9.5, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 27, 'warnflag': 0, 'species': 'Al" "Al" "Al" "Al', 'func_calls': 80}