element=lattice type=modelname=Al fcc EAM_Dynamo_ZhouWadleyJohnson_2001_Al__MO_049243498555_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

Optimization terminated successfully.
         Current function value: -3.579999
         Iterations: 28
         Function evaluations: 59
{'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': 3.5799986599289864, 'space_group': 'Fm-3m', 'element': 'Al', 'lattice_constant': 4.081654834747315, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 28, 'warnflag': 0, 'species': 'Al" "Al" "Al" "Al', 'func_calls': 59}