element=lattice type=modelname=Ta diamond EAM_Dynamo_ZhouJohnsonWadley_2004_Ta__MO_130046220009_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

Optimization terminated successfully.
         Current function value: -41.875096
         Iterations: 31
         Function evaluations: 64
{'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': 5.234387014115904, 'space_group': 'Fd-3m', 'element': 'Ta', 'lattice_constant': 5.917276427149774, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 31, 'warnflag': 0, 'species': 'Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta', 'func_calls': 64}