element: Sn lattice type: diamond modelname: Sim_LAMMPS_MEAM_VellaChenStillinger_2017_Sn__SM_629915663723_000 Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms Optimization terminated successfully. Current function value: -25.756462 Iterations: 33 Function evaluations: 66 {'lattice_constant': 6.303511045873165, 'cohesive_energy': 3.2195577174372785, 'element': 'Sn', 'species': 'Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn', 'crystal_structure': 'diamond', 'space_group': 'Fd-3m', 'wyckoff_code': '8a', 'basis_atoms': '[[0.0 0.0 0.0] [0.25 0.25 0.25] [0.5 0.5 0.0] [0.75 0.75 0.25] [0.5 0.0 0.5] [0.75 0.25 0.75] [0.0 0.5 0.5] [0.25 0.75 0.75]]', 'iterations': 33, 'func_calls': 66, 'warnflag': 0, 'repeat': 0}