element:
Fe
lattice type:
fcc
modelname:
EAM_Magnetic2GQuintic_ChiesaDerletDudarev_2011_Fe__MO_140444321607_002

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

Optimization terminated successfully.
         Current function value: -55.009214
         Iterations: 30
         Function evaluations: 61
{'lattice_constant': 3.662545010447502, 'cohesive_energy': 13.752303513346758, 'element': 'Fe', 'species': 'Fe" "Fe" "Fe" "Fe', 'crystal_structure': 'fcc', 'space_group': 'Fm-3m', 'wyckoff_code': '4a', 'basis_atoms': '[[0.0 0.0 0.0] [0.5 0.5 0.0] [0.5 0.0 0.5] [0.0 0.5 0.5]]', 'iterations': 30, 'func_calls': 61, 'warnflag': 0, 'repeat': 0}
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions
 Potential info: proved magnetic potential with 5th order knot functions