element=lattice type=modelname=W fcc EAM_Dynamo_ZhouWadleyJohnson_2001NISTretabulation_W__MO_914556822329_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: -8.596944
         Iterations: 30
         Function evaluations: 61
{'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': 8.59694370247719, 'space_group': 'Fm-3m', 'element': 'W', 'lattice_constant': 4.122200077772141, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'W" "W" "W" "W', 'func_calls': 61}