Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Ni__MO_580571659842_000
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ni

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

Optimization terminated successfully.
         Current function value: -17.790336
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4878191631287336, total energy = -17.790335712997667

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: -17.790336
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.487819117307665, total energy = -17.790335712997585

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: -17.790336
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4878191798692577, total energy = -17.790335712997596

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: -17.790336
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4878191821277147, total energy = -17.790335712997535

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: -17.790336
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.487819156376645, total energy = -17.79033571299765

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: -17.790336
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.4878191757015884, total energy = -17.790335712997607

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: -17.790336
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.487819159653737, total energy = -17.790335712997695

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: -17.790336
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.4878191539086396, total energy = -17.790335712997678

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: -17.790336
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.487819149531423, total energy = -17.790335712997617

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: -17.790336
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.487819117167963, total energy = -17.79033571299762

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: -17.790336
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.487819178495556, total energy = -17.790335712997585

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: -17.790336
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.4878192055970425, total energy = -17.790335712997567

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 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 = 3.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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))

Optimization terminated successfully.
         Current function value: -17.790336
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4878191631287336, total energy = -17.790335712997678

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: -17.790336
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4878191467374533, total energy = -17.79033571299765

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: -17.790336
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4878191173076623, total energy = -17.790335712997575

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: -17.790336
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4878191631287345, total energy = -17.790335712997663

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: -17.790336
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.487819179869254, total energy = -17.790335712997596

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))

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...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.48781916] Angstroms and c = 3.250073340518024 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.790409
         Iterations: 70
         Function evaluations: 155
Results for this minimization:
  a = 2.4892942021191455, c = 4.057757081426784, total energy = -17.790408958837876

Attempting to perform relaxation using initial lattice constant guess of a = [2.48781916] Angstroms and c = 3.4532029243004003 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.790409
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.489294242448238, c = 4.057757324659439, total energy = -17.790408958837773

Attempting to perform relaxation using initial lattice constant guess of a = [2.48781916] Angstroms and c = 3.6563325080827767 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.790409
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.489294218248694, c = 4.05775722076663, total energy = -17.79040895883784

Attempting to perform relaxation using initial lattice constant guess of a = [2.48781916] Angstroms and c = 3.859462091865153 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.790409
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.4892942356758443, c = 4.057757278910678, total energy = -17.790408958837812

Attempting to perform relaxation using initial lattice constant guess of a = [2.48781916] Angstroms and c = 4.062591675647529 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.790409
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 2.4892941797344252, c = 4.057757193997232, total energy = -17.79040895883782

Attempting to perform relaxation using initial lattice constant guess of a = [2.48781916] Angstroms and c = 4.265721259429906 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.790409
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.4892942532855726, c = 4.057757127838677, total energy = -17.790408958837826

Attempting to perform relaxation using initial lattice constant guess of a = [2.48781916] Angstroms and c = 4.468850843212282 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.790409
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.489294186471529, c = 4.057757331045055, total energy = -17.790408958837848

Attempting to perform relaxation using initial lattice constant guess of a = [2.48781916] Angstroms and c = 4.671980426994658 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.790409
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.489294160614188, c = 4.057757128433204, total energy = -17.790408958837773

Attempting to perform relaxation using initial lattice constant guess of a = [2.48781916] Angstroms and c = 4.875110010777035 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.790409
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 2.4892941975376353, c = 4.057757071226575, total energy = -17.790408958837872

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

 Final lattice Constants:
   a = 2.4892942021191455 Angstroms, c = 4.057757081426784 Angstroms, c/a = 1.630083

 Total energy: -17.790408958837876 eV

 Cohesive energy: -4.447602239709469 eV/atom

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