element: W lattice type: diamond modelname: EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_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 "kim_model.compute" failed. Attempting to perform relaxation using initial lattice constant guess of 3.0 Angstroms Optimization terminated successfully. Current function value: -44.144787 Iterations: 33 Function evaluations: 69 {'lattice_constant': 6.080819141864785, 'cohesive_energy': 5.518098334785482, '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': 33, 'func_calls': 69, 'warnflag': 0, 'repeat': 0}