element=lattice type=modelname=Si fcc ThreeBodyCluster_KP_KaxirasPandey_1988_Si__MO_072486242437_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -14.796561 Iterations: 31 Function evaluations: 63 {'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]]', 'repeat': 0, 'cohesive_energy': 3.6991402742328714, 'space_group': 'Fm-3m', 'element': 'Si', 'lattice_constant': 4.2803633734583855, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 31, 'warnflag': 0, 'species': 'Si" "Si" "Si" "Si', 'func_calls': 63}