element=lattice type=modelname=Al diamond Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_Al__SM_404097633924_000

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

Optimization terminated successfully.
         Current function value: -20.477884
         Iterations: 34
         Function evaluations: 69
{'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': 2.5597355023940143, 'space_group': 'Fd-3m', 'element': 'Al', 'lattice_constant': 5.912506215274334, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 34, 'warnflag': 0, 'species': 'Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al', 'func_calls': 69}