element=lattice type=modelname=Nb fcc EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_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


Failed to perform relaxation using initial lattice constant guess of 3.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 3.5 Angstroms

Optimization terminated successfully.
         Current function value: -7.159402
         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': 7.159402360423609, 'space_group': 'Fm-3m', 'element': 'Nb', 'lattice_constant': 4.315002001076937, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'Nb" "Nb" "Nb" "Nb', 'func_calls': 61}