element=lattice type=modelname=Au bcc EAM_Dynamo_GrocholaRusso_2005_Au__MO_557267801129_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

Optimization terminated successfully.
         Current function value: -7.726898
         Iterations: 26
         Function evaluations: 52
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 3.8634492076710223, 'space_group': 'Im-3m', 'element': 'Au', 'lattice_constant': 3.221804362535477, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 26, 'warnflag': 0, 'species': 'Au" "Au', 'func_calls': 52}