element=lattice type=modelname=Fe diamond Sim_LAMMPS_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_000

Attempting to perform relaxation using initial lattice constant guess of 2.5 Angstroms

Optimization terminated successfully.
         Current function value: -21.650294
         Iterations: 33
         Function evaluations: 68
{'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]]', 'repeat': 0, 'cohesive_energy': 2.706286808746253, 'space_group': 'Fd-3m', 'element': 'Fe', 'lattice_constant': 5.413733392953873, 'wyckoff_code': '8a', 'crystal_structure': 'diamond', 'iterations': 33, 'warnflag': 0, 'species': 'Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe', 'func_calls': 68}