element:
V
lattice type:
diamond
modelname:
EAM_Dynamo_Olsson_2009_V__MO_944449444863_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

Optimization terminated successfully.
         Current function value: -28.517019
         Iterations: 32
         Function evaluations: 68
{'lattice_constant': 5.437450236082083, 'cohesive_energy': 3.5646273842252794, 'element': 'V', 'species': 'V" "V" "V" "V" "V" "V" "V" "V', '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': 32, 'func_calls': 68, 'warnflag': 0, 'repeat': 0}