element=lattice type=modelname=Zr bcc Sim_LAMMPS_ADP_SmirnovaStarikov_2017_ZrNb__SM_937902197407_000

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

Optimization terminated successfully.
         Current function value: -12.791105
         Iterations: 29
         Function evaluations: 58
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 6.395552557917498, 'space_group': 'Im-3m', 'element': 'Zr', 'lattice_constant': 3.5681609883904457, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 29, 'warnflag': 0, 'species': 'Zr" "Zr', 'func_calls': 58}