element=lattice type=modelname=Mo bcc 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: -16.772004
         Iterations: 25
         Function evaluations: 51
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 8.386001817430612, 'space_group': 'Im-3m', 'element': 'Mo', 'lattice_constant': 2.6534432098269463, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 25, 'warnflag': 0, 'species': 'Mo" "Mo', 'func_calls': 51}