Element = Lattice = Model = Element: Au
Lattice: hcp
Model: EAM_Dynamo_GrocholaRusso_2005_Au__MO_557267801129_000
Computed model cutoff of 5.4996361385285955 Angstroms
Computed isolated atomic energy of 0.0 eV for species Au

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.125 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 = 2.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.25 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 = 2.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.375 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 = 2.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -15.658659
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.876643242314458, total energy = -15.658659070121843

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: -15.658659
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.876643236610107, total energy = -15.658659070121821

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: -15.658659
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8766432703821927, total energy = -15.658659070121784

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: -15.658659
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8766432074829935, total energy = -15.65865907012176

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: -15.658659
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.8766432382166385, total energy = -15.65865907012181

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: -15.658659
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.876643240379053, total energy = -15.658659070121818

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: -15.658659
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.876643230021, total energy = -15.658659070121773

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: -15.658659
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8766432382166385, total energy = -15.65865907012181

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: -15.658659
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8766432227566834, total energy = -15.658659070121784

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: -15.658659
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8766432552365573, total energy = -15.658659070121765

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: -15.658659
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8766432408010587, total energy = -15.658659070121807

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: -15.658659
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8766432085016254, total energy = -15.658659070121777

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 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 = 4.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.125 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 = 4.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.25 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 = 4.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.375 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 = 4.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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))

Optimization terminated successfully.
         Current function value: -15.658659
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8766432260104904, total energy = -15.658659070121805

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: -15.658659
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.876643242314458, total energy = -15.658659070121814

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: -15.658659
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8766432598698835, total energy = -15.65865907012179

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))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.775, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 3.758030995037765 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.658713
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.8783947581012534, c = 4.69186989636016, total energy = -15.658712635057999

Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 3.992907932227625 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.658713
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.878394734255562, c = 4.691869823715761, total energy = -15.658712635057933

Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 4.227784869417485 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.658713
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.878394790508316, c = 4.691869862640841, total energy = -15.65871263505796

Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 4.462661806607345 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.658713
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.8783948083788884, c = 4.691869733543623, total energy = -15.658712635057954

Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 4.697538743797206 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.658713
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 2.8783947851881146, c = 4.691869773472741, total energy = -15.658712635057972

Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 4.9324156809870665 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.658713
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.878394728969999, c = 4.691869878762962, total energy = -15.658712635057974

Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 5.167292618176926 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.658713
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.8783947489483865, c = 4.691869856232904, total energy = -15.658712635057983

Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 5.402169555366786 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.658713
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.8783947601836726, c = 4.691869805173266, total energy = -15.658712635057977

Attempting to perform relaxation using initial lattice constant guess of a = [2.87664324] Angstroms and c = 5.637046492556647 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.658713
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 2.8783947661961515, c = 4.691869812631738, total energy = -15.658712635057986

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

 Final lattice Constants:
   a = 2.8783947581012534 Angstroms, c = 4.69186989636016 Angstroms, c/a = 1.630030

 Total energy: -15.658712635057999 eV

 Cohesive energy: -3.9146781587644996 eV/atom

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