element=lattice type=modelname=Mo fcc Sim_LAMMPS_SNAP_ChenDengTran_2017_Mo__SM_003882782678_000

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

Optimization terminated successfully.
         Current function value: -88.444218
         Iterations: 30
         Function evaluations: 61
{'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': 22.11105449661889, 'space_group': 'Fm-3m', 'element': 'Mo', 'lattice_constant': 4.0423780381679535, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 30, 'warnflag': 0, 'species': 'Mo" "Mo" "Mo" "Mo', 'func_calls': 61}