Element = Lattice = Model = Element: Ag
Lattice: hcp
Model: EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000
Computed model cutoff of 6.700000000111786 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ag

==============================================================================
==============================================================================
 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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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: -11.860204
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.942563930898912, total energy = -11.86020361147245

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: -11.860204
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.942563964333388, total energy = -11.86020361147244

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: -11.860204
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9425640314817447, total energy = -11.860203611472357

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: -11.860204
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9425639270106334, total energy = -11.860203611472471

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: -11.860204
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9425639528781176, total energy = -11.860203611472471

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: -11.860204
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9425639733672173, total energy = -11.860203611472455

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: -11.860204
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.94256394696422, total energy = -11.86020361147247

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: -11.860204
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9425639637745915, total energy = -11.860203611472425

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: -11.860204
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9425639271736133, total energy = -11.86020361147243

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: -11.860204
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9425639528781176, total energy = -11.86020361147246

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: -11.860204
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.942563927173615, total energy = -11.860203611472423

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: -11.860204
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.942563930898906, total energy = -11.860203611472443

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: -11.860204
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.942563975963277, total energy = -11.860203611472437

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: -11.860204
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.942563927732407, total energy = -11.860203611472423

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: -11.860204
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9425639752298594, total energy = -11.860203611472471

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: -11.860204
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.942563973367214, total energy = -11.860203611472448

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: -11.860204
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.942563972994685, total energy = -11.860203611472457

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: -11.860204
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.942563927010632, total energy = -11.860203611472455

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: -11.860204
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.942563944822176, total energy = -11.860203611472452

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: -11.860204
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.942563997581601, total energy = -11.860203611472441

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: -11.860204
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9425639951718017, total energy = -11.860203611472393

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: -11.860204
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.942563950642943, total energy = -11.86020361147245

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: -11.860204
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.942563948058525, total energy = -11.86020361147246

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: -11.860204
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.942563927371518, total energy = -11.860203611472455

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: -11.860204
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.942563974764198, total energy = -11.860203611472427

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: -11.860204
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.942563963774588, total energy = -11.860203611472437

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: -11.860204
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9425639400258645, total energy = -11.860203611472409

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: -11.860204
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9425639270630213, total energy = -11.860203611472416

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: -11.860204
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.942563997354589, total energy = -11.860203611472446

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: -11.860204
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9425639528781176, total energy = -11.860203611472468

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: -11.860204
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.942563939839597, total energy = -11.860203611472407

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: -11.860204
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9425639271736124, total energy = -11.860203611472423

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: -11.860204
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9425640299916287, total energy = -11.86020361147236

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: -11.860204
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9425639308989027, total energy = -11.860203611472414

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: -11.860204
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9425639947876334, total energy = -11.860203611472393

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: -11.860204
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.942563973553474, total energy = -11.860203611472423

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: -11.860204
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9425639389315603, total energy = -11.860203611472429

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: -11.860204
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9425639626569966, total energy = -11.86020361147243

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: -11.860204
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.942563956102818, total energy = -11.86020361147247

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: -11.860204
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9425639752298594, total energy = -11.860203611472475

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: -11.860204
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.942563928509478, total energy = -11.860203611472489

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: -11.860204
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.942563963681453, total energy = -11.860203611472429

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: -11.860204
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9425639848384817, total energy = -11.860203611472462

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: -11.860204
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9425639729946815, total energy = -11.860203611472455

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.94256393] Angstroms and c = 3.8441494188627945 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.860216
         Iterations: 68
         Function evaluations: 153
Results for this minimization:
  a = 2.943511525753551, c = 4.801539381142636, total energy = -11.860216245008461

Attempting to perform relaxation using initial lattice constant guess of a = [2.94256393] Angstroms and c = 4.084408757541719 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.860216
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.9435115146612043, c = 4.801539334888005, total energy = -11.86021624500844

Attempting to perform relaxation using initial lattice constant guess of a = [2.94256393] Angstroms and c = 4.324668096220643 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.860216
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.9435114748395153, c = 4.801539418127319, total energy = -11.860216245008399

Attempting to perform relaxation using initial lattice constant guess of a = [2.94256393] Angstroms and c = 4.564927434899568 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.860216
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.9435115415420627, c = 4.8015391990103, total energy = -11.860216245008424

Attempting to perform relaxation using initial lattice constant guess of a = [2.94256393] Angstroms and c = 4.805186773578493 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.860216
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.943511509974685, c = 4.801539513030954, total energy = -11.860216245008417

Attempting to perform relaxation using initial lattice constant guess of a = [2.94256393] Angstroms and c = 5.045446112257417 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.860216
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.9435115458766434, c = 4.801539286587317, total energy = -11.860216245008417

Attempting to perform relaxation using initial lattice constant guess of a = [2.94256393] Angstroms and c = 5.285705450936341 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.860216
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.9435115370569838, c = 4.801539323851927, total energy = -11.860216245008433

Attempting to perform relaxation using initial lattice constant guess of a = [2.94256393] Angstroms and c = 5.525964789615266 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.860216
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 2.943511553734397, c = 4.801539299814895, total energy = -11.86021624500842

Attempting to perform relaxation using initial lattice constant guess of a = [2.94256393] Angstroms and c = 5.766224128294191 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.860216
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.9435115382466357, c = 4.801539198420086, total energy = -11.860216245008406

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

 Final lattice Constants:
   a = 2.943511525753551 Angstroms, c = 4.801539381142636 Angstroms, c/a = 1.631228

 Total energy: -11.860216245008461 eV

 Cohesive energy: -2.9650540612521152 eV/atom

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