element=lattice type=modelname=Ta diamond EAM_Dynamo_LiSiegelAdams_2003_Ta__MO_103054252769_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: -11.630700
         Iterations: 28
         Function evaluations: 57
{'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': 5.815350076469335, 'space_group': 'Fd-3m', 'element': 'Ta', 'lattice_constant': 6.266486221551897, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 28, 'warnflag': 0, 'species': 'Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta" "Ta', 'func_calls': 57}