element=lattice type=modelname=Al fcc EAM_Dynamo_ZhouJohnsonWadley_2004_Al__MO_131650261510_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

Optimization terminated successfully.
         Current function value: -14.320010
         Iterations: 31
         Function evaluations: 65
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 3.5800024715199545, 'space_group': 'Fm-3m', 'element': 'Al', 'lattice_constant': 4.050180745124819, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 31, 'warnflag': 0, 'species': 'Al" "Al" "Al" "Al', 'func_calls': 65}