element=lattice type=modelname=Tb diamond EAM_Dynamo_Mendelev_2018_Tb__MO_522239651961_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

Optimization terminated successfully.
         Current function value: -22.610604
         Iterations: 33
         Function evaluations: 70
{'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': 2.8263254480559983, 'space_group': 'Fd-3m', 'element': 'Tb', 'lattice_constant': 7.31901831626892, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 33, 'warnflag': 0, 'species': 'Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb', 'func_calls': 70}