element=lattice type=modelname=Si bcc Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -3.576726 Iterations: 26 Function evaluations: 52 {'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.5]]', 'repeat': 0, 'cohesive_energy': 1.7883631762274739, 'space_group': 'Im-3m', 'element': 'Si', 'lattice_constant': 2.746184781193733, 'wyckoff_code': '2a', 'crystal_structure': 'bcc', 'iterations': 26, 'warnflag': 0, 'species': 'Si" "Si', 'func_calls': 52}