element=lattice type=modelname=Si diamond Tersoff_LAMMPS_Tersoff_PRB37_1988_Si__MO_245095684871_001 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -9.260824 Iterations: 32 Function evaluations: 65 {'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.0 0.5 0.5] [0.25 0.75 0.75] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.5 0.5 0.0] [0.75 0.75 0.25]]', 'repeat': 0, 'cohesive_energy': 4.630412163496893, 'space_group': 'Fd-3m', 'element': 'Si', 'lattice_constant': 5.431230753660202, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 32, 'warnflag': 0, 'species': 'Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si', 'func_calls': 65}