element=lattice type=modelname=Zr fcc EAM_Dynamo_MendelevAckland_2007_Zr__MO_537826574817_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

Optimization terminated successfully.
         Current function value: -6.580395
         Iterations: 30
         Function evaluations: 60
{'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 6.58039457948139, 'space_group': 'Fm-3m', 'element': 'Zr', 'lattice_constant': 4.537839183211329, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'Zr" "Zr" "Zr" "Zr', 'func_calls': 60}