element=lattice type=modelname=Au bcc Sim_LAMMPS_ADP_StarikovLopanitsynaSmirnova_2018_SiAu__SM_985135773293_000

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

Optimization terminated successfully.
         Current function value: -7.742269
         Iterations: 29
         Function evaluations: 59
{'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 3.8711347127056643, 'space_group': 'Im-3m', 'element': 'Au', 'lattice_constant': 3.274186283349991, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 29, 'warnflag': 0, 'species': 'Au" "Au', 'func_calls': 59}