element=lattice type=modelname=Ni diamond EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Ni__MO_258836200237_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 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 Optimization terminated successfully. Current function value: -24.883783 Iterations: 31 Function evaluations: 64 {'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': 3.1104729022100996, 'space_group': 'Fd-3m', 'element': 'Ni', 'lattice_constant': 5.3836470425128935, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 31, 'warnflag': 0, 'species': 'Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni', 'func_calls': 64}