element=lattice type=modelname=Ga bcc Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -2.841386 Iterations: 29 Function evaluations: 59 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 2.8413857695863904, 'space_group': 'Im-3m', 'element': 'Ga', 'lattice_constant': 3.1440063044428825, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 29, 'warnflag': 0, 'species': 'Ga" "Ga', 'func_calls': 59}