element=lattice type=modelname=Mo fcc SW_MX2_WenShirodkarPlechac_2017_MoS__MO_201919462778_001

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

Optimization terminated successfully.
         Current function value: -33.141636
         Iterations: 29
         Function evaluations: 59
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 8.285408915759628, 'space_group': 'Fm-3m', 'element': 'Mo', 'lattice_constant': 3.4375253468751907, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 29, 'warnflag': 0, 'species': 'Mo" "Mo" "Mo" "Mo', 'func_calls': 59}