element=lattice type=modelname=U diamond EAM_Dynamo_SmirnovaStarikov_U__MO_649864794085_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


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: -21.988853
         Iterations: 26
         Function evaluations: 53
{'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': 2.748606593923497, 'space_group': 'Fd-3m', 'element': 'U', 'lattice_constant': 5.834533274918796, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 26, 'warnflag': 0, 'species': 'U" "U" "U" "U" "U" "U" "U" "U', 'func_calls': 53}