element=lattice type=modelname=Au fcc EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Au__MO_559016907324_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: -3.930000
         Iterations: 29
         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': 3.9300000001767987, 'space_group': 'Fm-3m', 'element': 'Au', 'lattice_constant': 4.080000042915343, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 29, 'warnflag': 0, 'species': 'Au" "Au" "Au" "Au', 'func_calls': 59}