element=lattice type=modelname=Ca diamond Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_002

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -6.968480
         Iterations: 35
         Function evaluations: 75
{'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': 0.8710600254315034, 'space_group': 'Fd-3m', 'element': 'Ca', 'lattice_constant': 8.31394636631012, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 35, 'warnflag': 0, 'species': 'Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca', 'func_calls': 75}