element=lattice type=modelname=Al diamond Sim_LAMMPS_SMTBQ_SallesPolitanoAmzallag_2016_AlO__SM_853967355976_000

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

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 38
         Function evaluations: 105
{'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': -0.0, 'space_group': 'Fd-3m', 'element': 'Al', 'lattice_constant': 26.375, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 38, 'warnflag': 0, 'species': 'Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al', 'func_calls': 105}