element=lattice type=modelname=Si sc Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -4.345084 Iterations: 25 Function evaluations: 51 {'basis_atoms': '[[0.0 0.0 0.0]]', 'repeat': 0, 'cohesive_energy': 4.345084474935835, 'space_group': 'Pm-3m', 'element': 'Si', 'lattice_constant': 2.500754863023758, 'wyckoff_code': '1a', 'crystal_structure': 'sc', 'iterations': 25, 'warnflag': 0, 'species': 'Si', 'func_calls': 51}