element:
Ca
lattice type:
bcc
modelname:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Ca__MO_562200212426_003

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

Optimization terminated successfully.
         Current function value: -3.650573
         Iterations: 31
         Function evaluations: 64
{'lattice_constant': 4.419419944286346, 'cohesive_energy': 1.8252864878889044, 'element': 'Ca', 'species': 'Ca" "Ca', 'crystal_structure': 'bcc', 'space_group': 'Im-3m', 'wyckoff_code': '2a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'iterations': 31, 'func_calls': 64, 'warnflag': 0, 'repeat': 0}