element:
Al
lattice type:
fcc
modelname:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000

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


Failed to perform relaxation using initial lattice constant guess of 2.5 Angstroms
Exception message:
Calling kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!


Attempting to perform relaxation using initial lattice constant guess of 3.0 Angstroms


Failed to perform relaxation using initial lattice constant guess of 3.0 Angstroms
Exception message:
Calling kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!


Attempting to perform relaxation using initial lattice constant guess of 3.5 Angstroms

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 28
         Function evaluations: 58
{'lattice_constant': 4.050000405311585, 'cohesive_energy': 3.3600000191039014, 'element': 'Al', 'species': 'Al" "Al" "Al" "Al', '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': 28, 'func_calls': 58, 'warnflag': 0, 'repeat': 0}