element=lattice type=modelname=Zr diamond EAM_Dynamo_Mendelev_NiZr__MO_149104665840_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: -9.345889
         Iterations: 33
         Function evaluations: 71
{'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': 4.672944283548334, 'space_group': 'Fd-3m', 'element': 'Zr', 'lattice_constant': 6.1486082673072815, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 33, 'warnflag': 0, 'species': 'Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr', 'func_calls': 71}