element=lattice type=modelname=Na diamond Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Na__MO_707981543254_002 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -4.890097 Iterations: 36 Function evaluations: 74 {'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': 0.611262095622835, 'space_group': 'Fd-3m', 'element': 'Na', 'lattice_constant': 7.764330506324768, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 36, 'warnflag': 0, 'species': 'Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na', 'func_calls': 74}