element: Ni lattice type: diamond modelname: EAM_Dynamo_FoilesHoyt_2006_Ni__MO_776437554506_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 Exception message: Calling kimpy function "compute" failed: the model does not provide an Extension routine! or the model's Extension routine returns error! 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 Exception message: Calling kimpy function "compute" failed: the model does not provide an Extension routine! or the model's Extension routine returns error! Attempting to perform relaxation using initial lattice constant guess of 3.5 Angstroms Optimization terminated successfully. Current function value: -24.541848 Iterations: 30 Function evaluations: 62 {'lattice_constant': 5.053641142696142, 'cohesive_energy': 3.067730996870756, 'element': 'Ni', 'species': 'Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni', 'crystal_structure': 'diamond', 'space_group': 'Fd-3m', 'wyckoff_code': '8a', '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]]', 'iterations': 30, 'func_calls': 62, 'warnflag': 0, 'repeat': 0}