element=lattice type=modelname=Ni fcc EAM_Dynamo_ZhouJohnsonWadley_2004_Ni__MO_110256178378_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: -17.799989
         Iterations: 35
         Function evaluations: 70
{'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': 4.449997280438176, 'space_group': 'Fm-3m', 'element': 'Ni', 'lattice_constant': 3.5196183800697334, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 35, 'warnflag': 0, 'species': 'Ni" "Ni" "Ni" "Ni', 'func_calls': 70}