element=lattice type=modelname=Nb diamond EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_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


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


Attempting to perform relaxation using initial lattice constant guess of 4.0 Angstroms

Optimization terminated successfully.
         Current function value: -45.290728
         Iterations: 30
         Function evaluations: 62
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'repeat': 0, 'cohesive_energy': 5.661341015492145, 'space_group': 'Fd-3m', 'element': 'Nb', 'lattice_constant': 5.538046455383305, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 30, 'warnflag': 0, 'species': 'Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb', 'func_calls': 62}