Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000
Computed model cutoff of 4.957880679890536 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

==============================================================================
==============================================================================
 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: -14.147525
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5539721746929, total energy = -14.147525395791435

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: -14.147525
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.553972154681105, total energy = -14.1475253957914

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: -14.147525
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.553972148895265, total energy = -14.147525395791412

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: -14.147525
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.553972177021205, total energy = -14.147525395791456

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: -14.147525
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.553972177766264, total energy = -14.147525395791483

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: -14.147525
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.553972207382321, total energy = -14.14752539579149

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: -14.147525
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.553972203284502, total energy = -14.147525395791497

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: -14.147525
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.553972221631557, total energy = -14.147525395791432

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: -14.147525
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.553972198878181, total energy = -14.147525395791432

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: -14.147525
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.553972211614018, total energy = -14.147525395791474

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: -14.147525
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5539721811190237, total energy = -14.147525395791453

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: -14.147525
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5539721734821796, total energy = -14.147525395791442

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: -14.147525
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.553972181864083, total energy = -14.147525395791485

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: -14.147525
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5539722100365903, total energy = -14.147525395791451

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: -14.147525
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.553972174692899, total energy = -14.14752539579143

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: -14.147525
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5539722231624156, total energy = -14.147525395791408

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: -14.147525
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.553972161753336, total energy = -14.14752539579145

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: -14.147525
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5539721845416317, total energy = -14.147525395791456

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: -14.147525
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5539721488952623, total energy = -14.147525395791405

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: -14.147525
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5539721898501755, total energy = -14.147525395791419

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: -14.147525
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5539721881039403, total energy = -14.14752539579148

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: -14.147525
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.553972194902599, total energy = -14.147525395791451

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...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.5539722] Angstroms and c = 3.3364953148259957 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.556978952627289, c = 4.160762982501214, total energy = -14.147712350723943

Attempting to perform relaxation using initial lattice constant guess of a = [2.5539722] Angstroms and c = 3.5450262720026204 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.556978905782616, c = 4.160763008107295, total energy = -14.14771235072393

Attempting to perform relaxation using initial lattice constant guess of a = [2.5539722] Angstroms and c = 3.753557229179245 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.556978999028111, c = 4.160762902105812, total energy = -14.147712350723914

Attempting to perform relaxation using initial lattice constant guess of a = [2.5539722] Angstroms and c = 3.96208818635587 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.55697897272992, c = 4.16076297720441, total energy = -14.147712350723944

Attempting to perform relaxation using initial lattice constant guess of a = [2.5539722] Angstroms and c = 4.170619143532495 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 66
         Function evaluations: 140
Results for this minimization:
  a = 2.5569789450054414, c = 4.160762858733129, total energy = -14.147712350723909

Attempting to perform relaxation using initial lattice constant guess of a = [2.5539722] Angstroms and c = 4.379150100709119 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.5569790108155965, c = 4.160763006775213, total energy = -14.14771235072388

Attempting to perform relaxation using initial lattice constant guess of a = [2.5539722] Angstroms and c = 4.587681057885744 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 63
         Function evaluations: 144
Results for this minimization:
  a = 2.5569789649622194, c = 4.1607629725178645, total energy = -14.147712350723937

Attempting to perform relaxation using initial lattice constant guess of a = [2.5539722] Angstroms and c = 4.796212015062369 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 79
         Function evaluations: 157
Results for this minimization:
  a = 2.5569789799625036, c = 4.160763014070918, total energy = -14.147712350723932

Attempting to perform relaxation using initial lattice constant guess of a = [2.5539722] Angstroms and c = 5.004742972238994 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 2.556978940861554, c = 4.160763053323345, total energy = -14.147712350723925

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

 Final lattice Constants:
   a = 2.55697897272992 Angstroms, c = 4.16076297720441 Angstroms, c/a = 1.627218

 Total energy: -14.147712350723944 eV

 Cohesive energy: -3.536928087680986 eV/atom

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