element=lattice type=modelname=Ca fcc Pair_Morse_Shifted_GirifalcoWeizer_MedCutoff_Ca__MO_562200212426_001 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -1.832204 Iterations: 32 Function evaluations: 65 {'basis_atoms': '[[0.0 0.0 0.0] [0.0 0.5 0.5] [0.5 0.0 0.5] [0.5 0.5 0.0]]', 'repeat': 0, 'cohesive_energy': 1.8322037441456425, 'space_group': 'Fm-3m', 'element': 'Ca', 'lattice_constant': 5.5721513405442238, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 32, 'warnflag': 0, 'species': 'Ca" "Ca" "Ca" "Ca', 'func_calls': 65}