Element = Lattice = Model = Element: Ag
Lattice: hcp
Model: EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005
Computed model cutoff of 5.993999242782592 Angstroms
Computed isolated atomic energy of -0.02174275598000017 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 "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: -11.296220
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.886456228047615, total energy = -11.296219683443553

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: -11.296220
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.886456191539768, total energy = -11.29621968344356

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: -11.296220
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8864562380593286, total energy = -11.29621968344355

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: -11.296220
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.886456167697907, total energy = -11.296219683443523

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: -11.296220
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.8864561915397644, total energy = -11.29621968344354

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: -11.296220
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.886456236429515, total energy = -11.296219683443551

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: -11.296220
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8864562043920166, total energy = -11.296219683443576

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: -11.296220
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.886456201266265, total energy = -11.296219683443551

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: -11.296220
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8864562159404143, total energy = -11.296219683443576

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: -11.296220
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8864561920054257, total energy = -11.296219683443558

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: -11.296220
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8864562289789317, total energy = -11.296219683443555

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: -11.296220
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.886456228047609, total energy = -11.296219683443532

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: -11.296220
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.8864561896305525, total energy = -11.296219683443555

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: -11.296220
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.886456192098558, total energy = -11.296219683443566

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: -11.296220
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8864562057424337, total energy = -11.29621968344359

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: -11.296220
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.886456238059327, total energy = -11.29621968344353

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: -11.296220
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8864561948226752, total energy = -11.296219683443585

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: -11.296220
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.886456187907606, total energy = -11.296219683443548

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: -11.296220
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8864562301081587, total energy = -11.296219683443532

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: -11.296220
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.8864561915397644, total energy = -11.296219683443534

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: -11.296220
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.886456214310599, total energy = -11.296219683443567

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: -11.296220
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8864561920985565, total energy = -11.296219683443564

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: -11.296220
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8864562346105243, total energy = -11.296219683443562

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: -11.296220
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8864561917260265, total energy = -11.296219683443573

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: -11.296220
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8864562088710954, total energy = -11.296219683443582

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: -11.296220
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.886456201423422, total energy = -11.296219683443548

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: -11.296220
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8864562180999185, total energy = -11.296219683443576

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: -11.296220
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8864562159404175, total energy = -11.296219683443583

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: -11.296220
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8864562298869685, total energy = -11.296219683443553

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: -11.296220
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8864561882801354, total energy = -11.29621968344355

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: -11.296220
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8864562263828657, total energy = -11.296219683443546

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: -11.296220
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8864562074653786, total energy = -11.29621968344356

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: -11.296220
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.886456201535476, total energy = -11.296219683443551

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: -11.296220
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.886456223885758, total energy = -11.296219683443534

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: -11.296220
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8864562007947825, total energy = -11.296219683443573

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: -11.296220
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.88645618949667, total energy = -11.296219683443535

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: -11.296220
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8864562248578283, total energy = -11.296219683443558

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: -11.296220
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.8864562119357213, total energy = -11.296219683443585

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.88645621] Angstroms and c = 3.7708505967781027 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.297626
         Iterations: 76
         Function evaluations: 163
Results for this minimization:
  a = 2.896406704935298, c = 4.679359067676284, total energy = -11.297626156699883

Attempting to perform relaxation using initial lattice constant guess of a = [2.88645621] Angstroms and c = 4.006528759076734 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.297626
         Iterations: 63
         Function evaluations: 141
Results for this minimization:
  a = 2.896406685986923, c = 4.679359051995815, total energy = -11.29762615669988

Attempting to perform relaxation using initial lattice constant guess of a = [2.88645621] Angstroms and c = 4.242206921375366 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.297626
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.896406712299105, c = 4.679359132534348, total energy = -11.297626156699891

Attempting to perform relaxation using initial lattice constant guess of a = [2.88645621] Angstroms and c = 4.477885083673997 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.297626
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.8964067317506466, c = 4.679359093787058, total energy = -11.29762615669989

Attempting to perform relaxation using initial lattice constant guess of a = [2.88645621] Angstroms and c = 4.713563245972629 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.297626
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.896406666599659, c = 4.679359257540794, total energy = -11.297626156699858

Attempting to perform relaxation using initial lattice constant guess of a = [2.88645621] Angstroms and c = 4.94924140827126 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.297626
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.89640675737859, c = 4.679359004265853, total energy = -11.297626156699884

Attempting to perform relaxation using initial lattice constant guess of a = [2.88645621] Angstroms and c = 5.184919570569892 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.297626
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.8964067052806453, c = 4.679359086801245, total energy = -11.297626156699897

Attempting to perform relaxation using initial lattice constant guess of a = [2.88645621] Angstroms and c = 5.420597732868523 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.297626
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.896406707055889, c = 4.6793589862371086, total energy = -11.297626156699867

Attempting to perform relaxation using initial lattice constant guess of a = [2.88645621] Angstroms and c = 5.656275895167155 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.297626
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.8964067297208147, c = 4.679359028287017, total energy = -11.297626156699895

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

 Final lattice Constants:
   a = 2.8964067052806453 Angstroms, c = 4.679359086801245 Angstroms, c/a = 1.615574

 Total energy: -11.297626156699897 eV

 Cohesive energy: -2.824406539174974 eV/atom

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