element: W lattice type: diamond modelname: EAM_Dynamo_Olsson_2009_W__MO_670013535154_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 Optimization terminated successfully. Current function value: -45.991596 Iterations: 32 Function evaluations: 66 {'lattice_constant': 6.25459814071656, 'cohesive_energy': 5.748949477813617, 'element': 'W', 'species': 'W" "W" "W" "W" "W" "W" "W" "W', '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': 32, 'func_calls': 66, 'warnflag': 0, 'repeat': 0}