element=lattice type=modelname=Zr fcc EAM_Dynamo_MendelevAckland_2007v3_Zr__MO_004835508849_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: -26.321578
         Iterations: 30
         Function evaluations: 62
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 6.580394576122925, 'space_group': 'Fm-3m', 'element': 'Zr', 'lattice_constant': 4.5378458619117765, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'Zr" "Zr" "Zr" "Zr', 'func_calls': 62}