element=lattice type=modelname=Ga fcc 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: -10.686337 Iterations: 31 Function evaluations: 67 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 2.671584366538643, 'space_group': 'Fm-3m', 'element': 'Ga', 'lattice_constant': 3.9710893630981445, 'wyckoff_code': '4a', 'crystal_structure': 'fcc', 'iterations': 31, 'warnflag': 0, 'species': 'Ga" "Ga" "Ga" "Ga', 'func_calls': 67}