element=lattice type=modelname=Zr fcc EAM_Dynamo_Mendelev_Kramer_CuZr__MO_600021860456_004

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

* Error: at line 626 in EAM_Implementation.hpp
	Message: Particle has density value outside of embedding function interpolation domain
	KIM_STATUS_MSG: unsuccessful completion

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

* Error: at line 626 in EAM_Implementation.hpp
	Message: Particle has density value outside of embedding function interpolation domain
	KIM_STATUS_MSG: unsuccessful completion

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: -6.438777
         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': 6.438777009050879, 'space_group': 'Fm-3m', 'element': 'Zr', 'lattice_constant': 4.5445246316492565, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'Zr" "Zr" "Zr" "Zr', 'func_calls': 60}