Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_ZhangAshcraftMendelev_2016_NiNb__MO_047308317761_000
Computed model cutoff of 6.000799154304011 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))

Optimization terminated successfully.
         Current function value: -19.450373
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.484175260365011, total energy = -19.450373173715004

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: -19.450373
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.48417526362464, total energy = -19.450373173715086

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: -19.450373
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.484175265487284, total energy = -19.450373173715075

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: -19.450373
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.484175263438374, total energy = -19.45037317371513

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: -19.450373
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.4841752531006955, total energy = -19.45037317371509

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: -19.450373
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.4841751535364898, total energy = -19.45037317371501

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: -19.450373
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.484175181470346, total energy = -19.450373173715068

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: -19.450373
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.4841752639506014, total energy = -19.45037317371499

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: -19.450373
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4841752275824547, total energy = -19.45037317371514

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: -19.450373
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.4841752550564706, total energy = -19.45037317371505

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: -19.450373
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.484175213146955, total energy = -19.450373173715025

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: -19.450373
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4841752023319703, total energy = -19.45037317371508

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: -19.450373
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4841752067208276, total energy = -19.45037317371503

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: -19.450373
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4841752275824547, total energy = -19.450373173715153

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: -19.450373
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.4841752636246377, total energy = -19.45037317371499

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: -19.450373
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.48417518492788, total energy = -19.45037317371505

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: -19.450373
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.4841752654872833, total energy = -19.450373173715082

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: -19.450373
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.484175179898737, total energy = -19.450373173715008

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: -19.450373
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.484175263438374, total energy = -19.450373173715114

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: -19.450373
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4841752396896437, total energy = -19.45037317371503

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: -19.450373
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.484175252728164, total energy = -19.450373173715008

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: -19.450373
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.484175185870846, total energy = -19.450373173715004

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: -19.450373
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.484175153536486, total energy = -19.450373173715008

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))

Optimization terminated successfully.
         Current function value: -19.450373
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.484175211470572, total energy = -19.450373173715096

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: -19.450373
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.484175263950603, total energy = -19.45037317371499

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: -19.450373
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.48417523577809, total energy = -19.450373173715047

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: -19.450373
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4841752275824547, total energy = -19.450373173715136

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: -19.450373
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.484175180084997, total energy = -19.45037317371508

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: -19.450373
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.484175255056469, total energy = -19.45037317371502

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: -19.450373
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.484175213426353, total energy = -19.450373173715093

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: -19.450373
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.48417521442752, total energy = -19.45037317371504

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: -19.450373
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4841752368956804, total energy = -19.450373173714993

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.0375000000000005, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.16875, total energy = 0.0

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: -19.450373
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.484175211470566, total energy = -19.450373173715032

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 6.125, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.48417523] Angstroms and c = 3.2453129275942882 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.451386
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 2.4789145214623085, c = 4.0751226574863, total energy = -19.451386101058986

Attempting to perform relaxation using initial lattice constant guess of a = [2.48417523] Angstroms and c = 3.4481449855689315 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.451386
         Iterations: 66
         Function evaluations: 149
Results for this minimization:
  a = 2.4789145462623177, c = 4.075122742573569, total energy = -19.45138610105895

Attempting to perform relaxation using initial lattice constant guess of a = [2.48417523] Angstroms and c = 3.6509770435435747 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.451386
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.4789144656981605, c = 4.075123005670765, total energy = -19.45138610105894

Attempting to perform relaxation using initial lattice constant guess of a = [2.48417523] Angstroms and c = 3.853809101518218 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.451386
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.4789144803186725, c = 4.075122782886548, total energy = -19.451386101058997

Attempting to perform relaxation using initial lattice constant guess of a = [2.48417523] Angstroms and c = 4.056641159492861 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.451386
         Iterations: 65
         Function evaluations: 149
Results for this minimization:
  a = 2.478914450528582, c = 4.075122718279307, total energy = -19.4513861010589

Attempting to perform relaxation using initial lattice constant guess of a = [2.48417523] Angstroms and c = 4.259473217467504 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.451386
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.478914517711088, c = 4.075122616483272, total energy = -19.451386101058958

Attempting to perform relaxation using initial lattice constant guess of a = [2.48417523] Angstroms and c = 4.462305275442148 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.451386
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.4789144919965684, c = 4.075122706508962, total energy = -19.451386101058972

Attempting to perform relaxation using initial lattice constant guess of a = [2.48417523] Angstroms and c = 4.665137333416791 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.451386
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.47891450415764, c = 4.075122774234389, total energy = -19.451386101058972

Attempting to perform relaxation using initial lattice constant guess of a = [2.48417523] Angstroms and c = 4.8679693913914335 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.451386
         Iterations: 66
         Function evaluations: 148
Results for this minimization:
  a = 2.4789144125475104, c = 4.0751228041825, total energy = -19.451386101058894

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

 Final lattice Constants:
   a = 2.4789144803186725 Angstroms, c = 4.075122782886548 Angstroms, c/a = 1.643914

 Total energy: -19.451386101058997 eV

 Cohesive energy: -4.862846525264749 eV/atom

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