element: Pb lattice type: diamond modelname: EAM_Dynamo_WangZhuXiang_2018pot2_Pb__MO_961101070310_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 Failed to perform relaxation using initial lattice constant guess of 3.5 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 4.0 Angstroms Failed to perform relaxation using initial lattice constant guess of 4.0 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 4.5 Angstroms Optimization terminated successfully. Current function value: -12.460620 Iterations: 31 Function evaluations: 63 {'lattice_constant': 7.189844231307507, 'cohesive_energy': 1.5575774751096207, 'element': 'Pb', 'species': 'Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb', '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': 31, 'func_calls': 63, 'warnflag': 0, 'repeat': 0}