element=lattice type=modelname=W diamond Pair_Morse_Shifted_GirifalcoWeizer_HighCutoff_W__MO_646516726498_001 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -7.186271 Iterations: 33 Function evaluations: 67 {'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': 3.5931354755671494, 'space_group': 'Fd-3m', 'element': 'W', 'lattice_constant': 6.2106997966766357, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 33, 'warnflag': 0, 'species': 'W" "W" "W" "W" "W" "W" "W" "W', 'func_calls': 67}