element: Al lattice type: fcc modelname: EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005 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: -13.448709 Iterations: 30 Function evaluations: 61 {'lattice_constant': 4.051526293158533, 'cohesive_energy': 3.3621773198649607, 'element': 'Al', 'species': 'Al" "Al" "Al" "Al', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 30, 'func_calls': 61, 'warnflag': 0, 'repeat': 0}