Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_MendelevFangYe_2015_AlSm__MO_338600200739_000
Computed model cutoff of 6.501263725049825 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))

Optimization terminated successfully.
         Current function value: -15.537762
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8603766122367293, total energy = -15.537762207688608

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

Optimization terminated successfully.
         Current function value: -15.537762
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.860376682411883, total energy = -15.53776220768857

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

Optimization terminated successfully.
         Current function value: -15.537762
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8603766635060337, total energy = -15.537762207688651

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: -15.537762
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8603765825042506, total energy = -15.537762207688681

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: -15.537762
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8603766361193266, total energy = -15.537762207688665

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: -15.537762
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8603766037151246, total energy = -15.537762207688692

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: -15.537762
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8603765603154905, total energy = -15.537762207688566

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: -15.537762
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.860376668162644, total energy = -15.537762207688605

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: -15.537762
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8603766217827786, total energy = -15.537762207688658

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: -15.537762
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8603766040178016, total energy = -15.53776220768862

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: -15.537762
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8603766208048915, total energy = -15.537762207688674

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: -15.537762
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.860376583039761, total energy = -15.53776220768857

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: -15.537762
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.860376607533544, total energy = -15.537762207688754

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: -15.537762
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8603766821324825, total energy = -15.53776220768858

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: -15.537762
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8603766509331763, total energy = -15.537762207688749

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: -15.537762
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8603766247630116, total energy = -15.537762207688628

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: -15.537762
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8603766648098823, total energy = -15.53776220768868

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: -15.537762
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.860376578837167, total energy = -15.537762207688674

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: -15.537762
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.860376669466494, total energy = -15.537762207688631

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: -15.537762
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.860376637428999, total energy = -15.53776220768862

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: -15.537762
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8603766403160953, total energy = -15.537762207688631

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: -15.537762
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.860376603715121, total energy = -15.537762207688665

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: -15.537762
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8603766532149177, total energy = -15.537762207688703

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: -15.537762
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8603765896055817, total energy = -15.537762207688758

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: -15.537762
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.860376663506031, total energy = -15.537762207688658

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: -15.537762
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8603766698390207, total energy = -15.537762207688594

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: -15.537762
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.860376619052839, total energy = -15.537762207688603

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: -15.537762
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8603766217827813, total energy = -15.537762207688646

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: -15.537762
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.860376578755673, total energy = -15.537762207688614

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: -15.537762
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8603766040178016, total energy = -15.537762207688623

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: -15.537762
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.860376642318438, total energy = -15.537762207688617

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: -15.537762
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8603766208048897, total energy = -15.537762207688662

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.537762
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.860376574349357, total energy = -15.537762207688635

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.537762
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8603765830397574, total energy = -15.53776220768857

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: -15.537762
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.860376695469313, total energy = -15.537762207688598

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: -15.537762
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8603766075335386, total energy = -15.537762207688733

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: -15.537762
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.86037662141025, total energy = -15.53776220768875

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: -15.537762
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.860376605018966, total energy = -15.537762207688653

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: -15.537762
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8603765754960437, total energy = -15.537762207688642

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: -15.537762
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8603766509331763, total energy = -15.537762207688708

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: -15.537762
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8603766790591156, total energy = -15.537762207688587

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: -15.537762
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8603765957814122, total energy = -15.537762207688674

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: -15.537762
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.860376639946472, total energy = -15.537762207688681

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86037659] Angstroms and c = 3.7367803289258674 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.545332
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 2.8381985059397214, c = 4.767148160594868, total energy = -15.545332214861084

Attempting to perform relaxation using initial lattice constant guess of a = [2.86037659] Angstroms and c = 3.970329099483734 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.545332
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.838198376115442, c = 4.767148583286424, total energy = -15.54533221486101

Attempting to perform relaxation using initial lattice constant guess of a = [2.86037659] Angstroms and c = 4.203877870041601 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.545332
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.838198526475188, c = 4.767148190890529, total energy = -15.545332214861041

Attempting to perform relaxation using initial lattice constant guess of a = [2.86037659] Angstroms and c = 4.437426640599467 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.545332
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.838198451804737, c = 4.767148222171482, total energy = -15.54533221486102

Attempting to perform relaxation using initial lattice constant guess of a = [2.86037659] Angstroms and c = 4.670975411157334 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.545332
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.838198452320193, c = 4.76714812925645, total energy = -15.545332214861046

Attempting to perform relaxation using initial lattice constant guess of a = [2.86037659] Angstroms and c = 4.904524181715201 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.545332
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.8381984507319844, c = 4.767148213915304, total energy = -15.545332214861105

Attempting to perform relaxation using initial lattice constant guess of a = [2.86037659] Angstroms and c = 5.138072952273068 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.545332
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.838198459786921, c = 4.767148161903092, total energy = -15.545332214861077

Attempting to perform relaxation using initial lattice constant guess of a = [2.86037659] Angstroms and c = 5.371621722830934 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.545332
         Iterations: 73
         Function evaluations: 162
Results for this minimization:
  a = 2.8381984525039057, c = 4.7671481622183585, total energy = -15.54533221486103

Attempting to perform relaxation using initial lattice constant guess of a = [2.86037659] Angstroms and c = 5.605170493388801 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.545332
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 2.8381984749379434, c = 4.767148104585462, total energy = -15.54533221486105

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

 Final lattice Constants:
   a = 2.8381984507319844 Angstroms, c = 4.767148213915304 Angstroms, c/a = 1.679639

 Total energy: -15.545332214861105 eV

 Cohesive energy: -3.8863330537152763 eV/atom

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