Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_CubicNaturalSpline_AngeloMoody_1995_Ni__MO_800536961967_002
Computed model cutoff of 4.830319998934889 Angstroms
Computed isolated atomic energy of 7.771561172376096e-16 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))

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 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 = 1.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -17.726348
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.506024736096151, total energy = -17.726348263995245

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: -39.537169
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5248876150697477, total energy = -39.53716909068913

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: -17.726348
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.506024726945907, total energy = -17.726348263995245

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: -17.726348
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.506024712696673, total energy = -17.72634826399526

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: -17.726348
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5060247216373686, total energy = -17.726348263995266

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: -17.726348
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5060247341170907, total energy = -17.726348263995252

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: -17.726348
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.5060247171670196, total energy = -17.726348263995252

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: -17.726348
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.506024733558296, total energy = -17.726348263995256

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: -17.726348
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.506024735467508, total energy = -17.726348263995234

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: -17.726348
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.506024758517741, total energy = -17.72634826399521

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: -17.726348
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.506024707108736, total energy = -17.72634826399523

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: -17.726348
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5060247246175997, total energy = -17.72634826399524

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 "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.5 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 = 3.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -17.726348
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.506024733642696, total energy = -17.726348263995245

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: -17.726348
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5060247353976592, total energy = -17.72634826399523

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: -17.726348
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.50602471932943, total energy = -17.726348263995252

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: -39.537169
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.524887615069745, total energy = -39.5371690906891

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: -17.726348
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5060247540473957, total energy = -17.726348263995188

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: -17.726348
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.506024706363675, total energy = -17.72634826399522

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))

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.52488762] Angstroms and c = 3.2984993678899355 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 2.4797774558630747, c = 4.1788832650162835, total energy = -17.749750022725316

Attempting to perform relaxation using initial lattice constant guess of a = [2.52488762] Angstroms and c = 3.5046555783830566 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.4797774707673725, c = 4.178883255523109, total energy = -17.749750022725305

Attempting to perform relaxation using initial lattice constant guess of a = [2.52488762] Angstroms and c = 3.710811788876178 = ([1.46969385] * a) Angstroms

     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 "kim_model.compute" failed.

     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.52488762] Angstroms and c = 3.916967999369299 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.479777453416066, c = 4.1788832648570144, total energy = -17.749750022725323

Attempting to perform relaxation using initial lattice constant guess of a = [2.52488762] Angstroms and c = 4.12312420986242 = ([1.63299316] * a) Angstroms

     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 "kim_model.compute" failed.

     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.52488762] Angstroms and c = 4.329280420355541 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.936484
         Iterations: 182
         Function evaluations: 352
Results for this minimization:
  a = 2.4173958339308625, c = 4.192420226550011, total energy = -46.93648378008275

Attempting to perform relaxation using initial lattice constant guess of a = [2.52488762] Angstroms and c = 4.535436630848663 = ([1.79629248] * a) Angstroms

     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 "kim_model.compute" failed.

     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.52488762] Angstroms and c = 4.741592841341784 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.551553
         Iterations: 130
         Function evaluations: 271
Results for this minimization:
  a = 2.4768065063959135, c = 4.149930634361805, total energy = -19.55155288517592

Attempting to perform relaxation using initial lattice constant guess of a = [2.52488762] Angstroms and c = 4.947749051834904 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749750
         Iterations: 72
         Function evaluations: 147
Results for this minimization:
  a = 2.479777462383691, c = 4.178883223327628, total energy = -17.74975002272531

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

 Final lattice Constants:
   a = 2.4173958339308625 Angstroms, c = 4.192420226550011 Angstroms, c/a = 1.734271

 Total energy: -46.93648378008275 eV

 Cohesive energy: -11.734120945020688 eV/atom

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