element=lattice type=modelname=Mo bcc Sim_LAMMPS_ADP_StarikovKolotovaKuksin_2017_UMo__SM_682749584055_000

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

Optimization terminated successfully.
         Current function value: -13.760660
         Iterations: 28
         Function evaluations: 56
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 6.880330193088013, 'space_group': 'Im-3m', 'element': 'Mo', 'lattice_constant': 3.1491000205278397, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 28, 'warnflag': 0, 'species': 'Mo" "Mo', 'func_calls': 56}