Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: EAM_Dynamo_BonnyCastinBullens_2013_FeW__MO_737567242631_000
Computed model cutoff of 5.299091464579121 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

==============================================================================
==============================================================================
 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))

Optimization terminated successfully.
         Current function value: -16.017760
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.584979832172394, total energy = -16.01775960909818

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

Optimization terminated successfully.
         Current function value: -16.017760
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5849798321723956, total energy = -16.017759609098185

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

Optimization terminated successfully.
         Current function value: -16.017760
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.584979865327478, total energy = -16.017759609098164

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

Optimization terminated successfully.
         Current function value: -16.017760
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5849798571784053, total energy = -16.017759609098185

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

Optimization terminated successfully.
         Current function value: -16.017760
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.584979771077632, total energy = -16.017759609098075

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: -16.017760
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.584979832172394, total energy = -16.017759609098174

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: -16.017760
         Iterations: 33
         Function evaluations: 75
Results for this minimization:
  a = 2.5849798344075685, total energy = -16.017759609098142

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: -16.017760
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.584979832172394, total energy = -16.01775960909818

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: -16.017760
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.584979874826967, total energy = -16.01775960909819

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: -16.017760
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.584979832172393, total energy = -16.017759609098178

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: -16.017760
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.584979832172394, total energy = -16.017759609098178

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: -16.017760
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5849798448383794, total energy = -16.01775960909816

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: -16.017760
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.584979863464831, total energy = -16.017759609098164

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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 3.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -16.017760
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.584979832172394, total energy = -16.01775960909818

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: -16.017760
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.584979816258416, total energy = -16.017759609098153

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

Optimization terminated successfully.
         Current function value: -16.017760
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.584979832172393, total energy = -16.01775960909817

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

Optimization terminated successfully.
         Current function value: -16.017760
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.584979832172395, total energy = -16.017759609098185

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

Optimization terminated successfully.
         Current function value: -16.017760
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5849798684939707, total energy = -16.017759609098157

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

Optimization terminated successfully.
         Current function value: -16.017760
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5849799048664863, total energy = -16.017759609098157

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...


Attempting to perform relaxation using initial lattice constant guess of a = 5.0 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 = 5.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.125 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 = 5.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.25 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 = 5.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.375 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 = 5.375 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 = [2.58497987] Angstroms and c = 3.37700356730112 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.019708
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.620636424589379, c = 4.145280542065061, total energy = -16.01970811814336

Attempting to perform relaxation using initial lattice constant guess of a = [2.58497987] Angstroms and c = 3.58806629025744 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.019708
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.620636511691941, c = 4.145280376695347, total energy = -16.019708118143363

Attempting to perform relaxation using initial lattice constant guess of a = [2.58497987] Angstroms and c = 3.7991290132137596 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.019708
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.620636469645307, c = 4.145280374416135, total energy = -16.019708118143352

Attempting to perform relaxation using initial lattice constant guess of a = [2.58497987] Angstroms and c = 4.010191736170079 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.019708
         Iterations: 69
         Function evaluations: 154
Results for this minimization:
  a = 2.6206364622115643, c = 4.1452804964825365, total energy = -16.01970811814339

Attempting to perform relaxation using initial lattice constant guess of a = [2.58497987] Angstroms and c = 4.221254459126399 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.019708
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.6206365088272037, c = 4.14528028940037, total energy = -16.01970811814336

Attempting to perform relaxation using initial lattice constant guess of a = [2.58497987] Angstroms and c = 4.432317182082719 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.019708
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.620636526495045, c = 4.145280229758241, total energy = -16.019708118143363

Attempting to perform relaxation using initial lattice constant guess of a = [2.58497987] Angstroms and c = 4.643379905039039 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.019708
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.6206365615925433, c = 4.1452802835713864, total energy = -16.01970811814338

Attempting to perform relaxation using initial lattice constant guess of a = [2.58497987] Angstroms and c = 4.8544426279953585 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.019708
         Iterations: 72
         Function evaluations: 160
Results for this minimization:
  a = 2.6206363933389785, c = 4.145280468632791, total energy = -16.019708118143335

Attempting to perform relaxation using initial lattice constant guess of a = [2.58497987] Angstroms and c = 5.065505350951678 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.019708
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.6206364939581075, c = 4.145280372808159, total energy = -16.019708118143374

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

 Final lattice Constants:
   a = 2.6206364622115643 Angstroms, c = 4.1452804964825365 Angstroms, c/a = 1.581784

 Total energy: -16.01970811814339 eV

 Cohesive energy: -4.004927029535848 eV/atom

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