element=lattice type=modelname=N sc 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: -2.231327 Iterations: 29 Function evaluations: 58 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 2.231326574481109, 'space_group': 'Pm-3m', 'element': 'N', 'lattice_constant': 1.837857186794281, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 29, 'warnflag': 0, 'species': 'N', 'func_calls': 58}