element=lattice type=modelname=Nb diamond EAM_Dynamo_FellingerParkWilkins_2010_Nb__MO_102133002179_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 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 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 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 Attempting to perform relaxation using initial lattice constant guess of 4.5 Angstroms Failed to perform relaxation using initial lattice constant guess of 4.5 Angstroms Attempting to perform relaxation using initial lattice constant guess of 5.0 Angstroms Failed to perform relaxation using initial lattice constant guess of 5.0 Angstroms Attempting to perform relaxation using initial lattice constant guess of 5.5 Angstroms Optimization terminated successfully. Current function value: -38.831037 Iterations: 27 Function evaluations: 55 {'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]]', 'repeat': 0, 'cohesive_energy': 4.853879629024429, 'space_group': 'Fd-3m', 'element': 'Nb', 'lattice_constant': 5.915250743180515, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 27, 'warnflag': 0, 'species': 'Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb', 'func_calls': 55}