Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_FoilesHoyt_2006_Ni__MO_776437554506_000
Computed model cutoff of 4.849999996721769 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 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))

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 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 = 1.5 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 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 = 1.625 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 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 = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.714581
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.4885333420475946, total energy = -17.714580605225386

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: -17.714581
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.488533351570368, total energy = -17.714580605225386

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: -17.714581
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.488533335179092, total energy = -17.71458060522537

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: -17.714581
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.488533355109395, total energy = -17.71458060522539

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: -17.714581
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4885333550628266, total energy = -17.714580605225393

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: -17.714581
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.4885333255864674, total energy = -17.71458060522537

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: -17.714581
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.488533378113061, total energy = -17.714580605225365

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: -17.714581
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.488533356878906, total energy = -17.71458060522538

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: -17.714581
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.4885333515063386, total energy = -17.71458060522539

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: -17.714581
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.4885333794052698, total energy = -17.714580605225354

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: -17.714581
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4885333361336945, total energy = -17.714580605225375

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: -17.714581
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.488533351570368, total energy = -17.714580605225382

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: -17.714581
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4885333511279892, total energy = -17.71458060522538

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 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 = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.714581
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.488533344492315, total energy = -17.71458060522537

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: -17.714581
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4885333398357004, total energy = -17.714580605225365

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: -17.714581
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.488533351570368, total energy = -17.714580605225375

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: -17.714581
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4885333344340284, total energy = -17.714580605225372

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: -17.714581
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.488533366471528, total energy = -17.71458060522537

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: -17.714581
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4885333515703687, total energy = -17.714580605225382

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: -17.714581
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4885333582758884, total energy = -17.714580605225375

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 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 = 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 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 = 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 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 = 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 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 = 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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.48853336] Angstroms and c = 3.2510063614934412 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.715377
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.4841230826308434, c = 4.089419308157758, total energy = -17.715376817645478

Attempting to perform relaxation using initial lattice constant guess of a = [2.48853336] Angstroms and c = 3.454194259086781 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.715377
         Iterations: 70
         Function evaluations: 155
Results for this minimization:
  a = 2.484123062575235, c = 4.089419275098828, total energy = -17.715376817645467

Attempting to perform relaxation using initial lattice constant guess of a = [2.48853336] Angstroms and c = 3.657382156680121 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.715377
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.484123084727207, c = 4.089419302338536, total energy = -17.715376817645467

Attempting to perform relaxation using initial lattice constant guess of a = [2.48853336] Angstroms and c = 3.860570054273461 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.715377
         Iterations: 62
         Function evaluations: 136
Results for this minimization:
  a = 2.4841230609842215, c = 4.089419293949719, total energy = -17.715376817645463

Attempting to perform relaxation using initial lattice constant guess of a = [2.48853336] Angstroms and c = 4.063757951866801 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.715377
         Iterations: 65
         Function evaluations: 147
Results for this minimization:
  a = 2.484123073463829, c = 4.089419312678641, total energy = -17.71537681764547

Attempting to perform relaxation using initial lattice constant guess of a = [2.48853336] Angstroms and c = 4.266945849460141 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.715377
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.484123073391439, c = 4.089419371903664, total energy = -17.715376817645467

Attempting to perform relaxation using initial lattice constant guess of a = [2.48853336] Angstroms and c = 4.470133747053481 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.715377
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.484123067814182, c = 4.08941934581755, total energy = -17.71537681764547

Attempting to perform relaxation using initial lattice constant guess of a = [2.48853336] Angstroms and c = 4.673321644646821 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.715377
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.4841230729772033, c = 4.089419325593353, total energy = -17.71537681764547

Attempting to perform relaxation using initial lattice constant guess of a = [2.48853336] Angstroms and c = 4.876509542240161 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.715377
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.4841230817992805, c = 4.089419251889564, total energy = -17.71537681764547

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

 Final lattice Constants:
   a = 2.4841230826308434 Angstroms, c = 4.089419308157758 Angstroms, c/a = 1.646222

 Total energy: -17.715376817645478 eV

 Cohesive energy: -4.428844204411369 eV/atom

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