Element = Lattice = Model = Element: Nb
Lattice: hcp
Model: EAM_Dynamo_FellingerParkWilkins_2010_Nb__MO_102133002179_005
Computed model cutoff of 4.750000008791711 Angstroms
Computed isolated atomic energy of 0.0 eV for species Nb

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.939793358091265, total energy = -27.616899317573406

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.93979336898774, total energy = -27.616899317573406

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9397933706641197, total energy = -27.616899317573385

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.9397933707834465, total energy = -27.616899317573406

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9397933612344787, total energy = -27.61689931757339

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.939793369732797, total energy = -27.616899317573374

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9397933585220017, total energy = -27.616899317573388

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.939793358056341, total energy = -27.61689931757339

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 3.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9397933596046637, total energy = -27.61689931757338

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.939793359488249, total energy = -27.616899317573395

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9397933582775275, total energy = -27.616899317573377

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.93979336] Angstroms and c = 3.84052996082489 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.939793357975163, c = 4.800662467254083, total energy = -27.616899317573402

Attempting to perform relaxation using initial lattice constant guess of a = [2.93979336] Angstroms and c = 4.080563083376446 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 76
         Function evaluations: 163
Results for this minimization:
  a = 2.9397933598077963, c = 4.8006624415052706, total energy = -27.6168993175734

Attempting to perform relaxation using initial lattice constant guess of a = [2.93979336] Angstroms and c = 4.320596205928002 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.939793391231934, c = 4.8006623669585915, total energy = -27.6168993175734

Attempting to perform relaxation using initial lattice constant guess of a = [2.93979336] Angstroms and c = 4.560629328479558 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.93979332846909, c = 4.800662533327337, total energy = -27.616899317573377

Attempting to perform relaxation using initial lattice constant guess of a = [2.93979336] Angstroms and c = 4.800662451031114 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.939793358091265, c = 4.800662451031114, total energy = -27.616899317573402

Attempting to perform relaxation using initial lattice constant guess of a = [2.93979336] Angstroms and c = 5.04069557358267 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.939793376634955, c = 4.800662408376315, total energy = -27.616899317573402

Attempting to perform relaxation using initial lattice constant guess of a = [2.93979336] Angstroms and c = 5.280728696134226 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.9397933185333005, c = 4.800662596221496, total energy = -27.616899317573363

Attempting to perform relaxation using initial lattice constant guess of a = [2.93979336] Angstroms and c = 5.520761818685782 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.939793349465241, c = 4.800662508798354, total energy = -27.616899317573402

Attempting to perform relaxation using initial lattice constant guess of a = [2.93979336] Angstroms and c = 5.760794941237338 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.616899
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 2.9397933680396973, c = 4.800662428223597, total energy = -27.616899317573402

==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = [2.93979336] Angstroms, c = [4.80066245] Angstroms, c/a = 1.632993

 Total energy: -27.616899317573406 eV

 Cohesive energy: -6.9042248293933515 eV/atom

==============================================================================
==============================================================================