Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000
Computed model cutoff of 6.001105408556802 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))

Optimization terminated successfully.
         Current function value: -17.410200
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4946350660873597, total energy = -17.410200094636792

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: -17.410200
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.494635065551847, total energy = -17.41020009463671

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: -17.410200
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.494635086855851, total energy = -17.410200094636732

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: -17.410200
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.4946350606158383, total energy = -17.410200094636732

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: -17.410200
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4946350471116605, total energy = -17.410200094636938

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: -17.410200
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4946350582875314, total energy = -17.410200094636824

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: -17.410200
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4946351006161427, total energy = -17.4102000946368

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: -17.410200
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.494635060429573, total energy = -17.41020009463674

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: -17.410200
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.494635089021176, total energy = -17.410200094636757

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: -17.410200
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4946350286249075, total energy = -17.410200094636764

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: -17.410200
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.494635063200257, total energy = -17.410200094636807

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: -17.410200
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4946350870653977, total energy = -17.410200094636718

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: -17.410200
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.494635060429573, total energy = -17.410200094636743

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: -17.410200
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4946350660873575, total energy = -17.410200094636718

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: -17.410200
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.494635045636095, total energy = -17.41020009463678

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: -17.410200
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4946350655518463, total energy = -17.41020009463672

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: -17.410200
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.494635062088489, total energy = -17.41020009463686

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: -17.410200
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.494635086855851, total energy = -17.410200094636725

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: -17.410200
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.494635091768574, total energy = -17.41020009463672

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: -17.410200
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4946350827813135, total energy = -17.410200094636693

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: -17.410200
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4946350834332423, total energy = -17.410200094636764

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: -17.410200
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.4946350471116574, total energy = -17.41020009463679

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...


Attempting to perform relaxation using initial lattice constant guess of a = 5.0 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 = 5.0 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 = 5.125 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 = 5.125 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 = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.410200
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4946350890211737, total energy = -17.410200094636732

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: -17.410200
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.4946350796148207, total energy = -17.410200094636863

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: -17.410200
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4946350496262277, total energy = -17.41020009463681

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: -17.410200
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.4946350497484673, total energy = -17.410200094636725

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: -17.410200
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.494635062664741, total energy = -17.410200094636764

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: -17.410200
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.4946350121870613, total energy = -17.41020009463668

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: -17.410200
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.4946351295336995, total energy = -17.410200094636703

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: -17.410200
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4946350890211715, total energy = -17.410200094636753

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49463505] Angstroms and c = 3.258977578606636 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 2.4858864399634637, c = 4.1204160819536595, total energy = -17.413489560646244

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463505] Angstroms and c = 3.4626636772695507 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.4858863285830495, c = 4.120416162656931, total energy = -17.41348956064622

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463505] Angstroms and c = 3.6663497759324652 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.4858864202820827, c = 4.120416010735813, total energy = -17.413489560646166

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463505] Angstroms and c = 3.87003587459538 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.4858863063427883, c = 4.12041615688684, total energy = -17.413489560646205

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463505] Angstroms and c = 4.073721973258294 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 63
         Function evaluations: 141
Results for this minimization:
  a = 2.485886427336343, c = 4.120416113604446, total energy = -17.413489560646287

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463505] Angstroms and c = 4.277408071921209 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.485886327427269, c = 4.120416110563819, total energy = -17.413489560646173

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463505] Angstroms and c = 4.481094170584123 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.485886328903958, c = 4.1204161874123875, total energy = -17.413489560646145

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463505] Angstroms and c = 4.684780269247038 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 2.4858864293544256, c = 4.120415993468596, total energy = -17.41348956064618

Attempting to perform relaxation using initial lattice constant guess of a = [2.49463505] Angstroms and c = 4.8884663679099525 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.413490
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.4858863563682823, c = 4.120415833276874, total energy = -17.413489560646138

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

 Final lattice Constants:
   a = 2.485886427336343 Angstroms, c = 4.120416113604446 Angstroms, c/a = 1.657524

 Total energy: -17.413489560646287 eV

 Cohesive energy: -4.353372390161572 eV/atom

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