element=lattice type=modelname=Zr sc 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: -6.011004
         Iterations: 27
         Function evaluations: 55
{'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 6.011003578494475, 'space_group': 'Pm-3m', 'element': 'Zr', 'lattice_constant': 2.892431318759918, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 27, 'warnflag': 0, 'species': 'Zr', 'func_calls': 55}