Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: EAM_Dynamo_Marinica_2007_Fe__MO_466808877130_000
Computed model cutoff of 5.199987804070132 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))

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))

Optimization terminated successfully.
         Current function value: -16.104736
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.626621532812716, total energy = -16.104736132651016

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: -16.104736
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.6266214951872833, total energy = -16.10473613265112

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: -16.104736
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.6266214802861216, total energy = -16.104736132651116

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: -16.104736
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.626621448772494, total energy = -16.104736132651112

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: -16.104736
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.6266214679926634, total energy = -16.10473613265111

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: -16.104736
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.6266214450821286, total energy = -16.104736132651137

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: -16.104736
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.6266214137431234, total energy = -16.104736132651073

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: -16.104736
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.626621465318021, total energy = -16.104736132651116

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: -16.104736
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.6266214489936823, total energy = -16.10473613265112

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: -16.104736
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.6266214484348893, total energy = -16.10473613265112

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: -16.104736
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.6266214241273698, total energy = -16.10473613265111

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: -16.104736
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6266214806004418, total energy = -16.104736132651134

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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 3.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.875 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 = 3.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -16.104736
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.626621532812713, total energy = -16.104736132651013

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: -16.104736
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.626621425908526, total energy = -16.104736132651105

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: -16.104736
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.6266214951872797, total energy = -16.10473613265112

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: -16.104736
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.6266214372590184, total energy = -16.104736132651126

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))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 5.318750000000001, total energy = 0.0

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

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.225, total energy = 0.0

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

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.362500000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.25, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.3812500000000005, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.25, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.62662145] Angstroms and c = 3.4314038868816015 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.105707
         Iterations: 77
         Function evaluations: 157
Results for this minimization:
  a = 2.6157269860275756, c = 4.309549862953329, total energy = -16.10570682812893

Attempting to perform relaxation using initial lattice constant guess of a = [2.62662145] Angstroms and c = 3.6458666298117017 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.105707
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.615727001147876, c = 4.3095499283633565, total energy = -16.105706828128938

Attempting to perform relaxation using initial lattice constant guess of a = [2.62662145] Angstroms and c = 3.860329372741802 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.105707
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.615726983350106, c = 4.309549859440887, total energy = -16.105706828128927

Attempting to perform relaxation using initial lattice constant guess of a = [2.62662145] Angstroms and c = 4.074792115671903 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.105707
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.6157270098383263, c = 4.309549898074877, total energy = -16.105706828128927

Attempting to perform relaxation using initial lattice constant guess of a = [2.62662145] Angstroms and c = 4.2892548586020025 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.105707
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.6157269581275573, c = 4.3095499309665035, total energy = -16.105706828128934

Attempting to perform relaxation using initial lattice constant guess of a = [2.62662145] Angstroms and c = 4.503717601532102 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.105707
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.615726951195829, c = 4.309549886824666, total energy = -16.105706828128902

Attempting to perform relaxation using initial lattice constant guess of a = [2.62662145] Angstroms and c = 4.718180344462203 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.105707
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.6157270254632663, c = 4.309549917109855, total energy = -16.105706828128916

Attempting to perform relaxation using initial lattice constant guess of a = [2.62662145] Angstroms and c = 4.932643087392304 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.105707
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.615726957187838, c = 4.309550016014041, total energy = -16.105706828128916

Attempting to perform relaxation using initial lattice constant guess of a = [2.62662145] Angstroms and c = 5.1471058303224035 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.105707
         Iterations: 78
         Function evaluations: 166
Results for this minimization:
  a = 2.615727002262631, c = 4.309549903926323, total energy = -16.105706828128945

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

 Final lattice Constants:
   a = 2.615727002262631 Angstroms, c = 4.309549903926323 Angstroms, c/a = 1.647553

 Total energy: -16.105706828128945 eV

 Cohesive energy: -4.026426707032236 eV/atom

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