element=lattice type=modelname=Nb diamond EAM_Dynamo_FellingerParkWilkins_2010_Nb__MO_102133002179_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


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


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


Attempting to perform relaxation using initial lattice constant guess of 4.5 Angstroms


Failed to perform relaxation using initial lattice constant guess of 4.5 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 5.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 5.0 Angstroms


Attempting to perform relaxation using initial lattice constant guess of 5.5 Angstroms

Optimization terminated successfully.
         Current function value: -9.707759
         Iterations: 26
         Function evaluations: 52
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': 4.85387962902441, 'space_group': 'Fd-3m', 'element': 'Nb', 'lattice_constant': 5.915250734984877, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 26, 'warnflag': 0, 'species': 'Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb', 'func_calls': 52}