Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_Zhakhovsky_2009_Al__MO_519613893196_000
Computed model cutoff of 6.875000002607727 Angstroms
Computed isolated atomic energy of 0.0 eV for species Al

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

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8494912347756323, total energy = -13.428797168723568

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: -13.428797
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.849491267144913, total energy = -13.428797168723591

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: -13.428797
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.849491214752199, total energy = -13.428797168723525

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: -13.428797
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8494912907481202, total energy = -13.428797168723584

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: -13.428797
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8494912682101132, total energy = -13.42879716872359

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: -13.428797
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8494913102767883, total energy = -13.428797168723525

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: -13.428797
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8494912683963776, total energy = -13.428797168723548

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: -13.428797
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8494912377907884, total energy = -13.428797168723571

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: -13.428797
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.849491316080093, total energy = -13.42879716872357

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: -13.428797
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8494913127738974, total energy = -13.428797168723523

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: -13.428797
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8494912620633825, total energy = -13.428797168723573

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: -13.428797
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.849491265369579, total energy = -13.428797168723577

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: -13.428797
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.849491219036281, total energy = -13.428797168723488

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: -13.428797
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.849491222947836, total energy = -13.428797168723523

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

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.84949124585837, total energy = -13.428797168723626

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: -13.428797
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8494913086295117, total energy = -13.428797168723513

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: -13.428797
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.849491267144913, total energy = -13.42879716872359

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: -13.428797
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8494912672322212, total energy = -13.42879716872355

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: -13.428797
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8494912147521956, total energy = -13.428797168723522

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: -13.428797
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8494912464171653, total energy = -13.42879716872361

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: -13.428797
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8494912907481176, total energy = -13.428797168723577

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: -13.428797
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.849491262808442, total energy = -13.42879716872355

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

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.849491246364774, total energy = -13.428797168723614

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: -13.428797
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8494913121219714, total energy = -13.428797168723511

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: -13.428797
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8494912225753084, total energy = -13.428797168723522

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: -13.428797
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8494912707945304, total energy = -13.428797168723579

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: -13.428797
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8494912683963776, total energy = -13.428797168723548

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...


Attempting to perform relaxation using initial lattice constant guess of a = 5.5 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 = 5.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8494912666646997, total energy = -13.428797168723543

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.849491312773892, total energy = -13.42879716872357

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8494912203401306, total energy = -13.428797168723529

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8494912939146086, total energy = -13.428797168723555

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.849491291493174, total energy = -13.428797168723559

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.849491265369579, total energy = -13.42879716872358

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.849491293914614, total energy = -13.428797168723563

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8494912698864874, total energy = -13.428797168723547

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.849491267593104, total energy = -13.428797168723563

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.849491236699393, total energy = -13.428797168723575

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.849491258166381, total energy = -13.428797168723609

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -13.428797
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.849491245858369, total energy = -13.42879716872363

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.84949125] Angstroms and c = 3.722559775402952 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.428801
         Iterations: 76
         Function evaluations: 154
Results for this minimization:
  a = 2.8489840167903018, c = 4.654953180561142, total energy = -13.428800706025834

Attempting to perform relaxation using initial lattice constant guess of a = [2.84949125] Angstroms and c = 3.9552197613656364 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.428801
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.8489840684371677, c = 4.65495305321334, total energy = -13.428800706025843

Attempting to perform relaxation using initial lattice constant guess of a = [2.84949125] Angstroms and c = 4.187879747328321 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.428801
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.84898398923431, c = 4.654953208580113, total energy = -13.428800706025811

Attempting to perform relaxation using initial lattice constant guess of a = [2.84949125] Angstroms and c = 4.420539733291005 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.428801
         Iterations: 65
         Function evaluations: 148
Results for this minimization:
  a = 2.8489840206328223, c = 4.654953054413544, total energy = -13.428800706025818

Attempting to perform relaxation using initial lattice constant guess of a = [2.84949125] Angstroms and c = 4.653199719253689 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.428801
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 2.848983988562271, c = 4.654953196195137, total energy = -13.428800706025873

Attempting to perform relaxation using initial lattice constant guess of a = [2.84949125] Angstroms and c = 4.885859705216374 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.428801
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.84898398679666, c = 4.654953040476074, total energy = -13.428800706025854

Attempting to perform relaxation using initial lattice constant guess of a = [2.84949125] Angstroms and c = 5.118519691179058 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.428801
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 2.848984013285051, c = 4.654953100248218, total energy = -13.428800706025868

Attempting to perform relaxation using initial lattice constant guess of a = [2.84949125] Angstroms and c = 5.351179677141742 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.428801
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.848983989703932, c = 4.65495322839316, total energy = -13.428800706025838

Attempting to perform relaxation using initial lattice constant guess of a = [2.84949125] Angstroms and c = 5.583839663104427 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.428801
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.8489840643826927, c = 4.654953005385654, total energy = -13.428800706025807

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

 Final lattice Constants:
   a = 2.848983988562271 Angstroms, c = 4.654953196195137 Angstroms, c/a = 1.633899

 Total energy: -13.428800706025873 eV

 Cohesive energy: -3.3572001765064683 eV/atom

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