Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_TehranchiCurtin_2010_NiH__MO_535504325462_003
Computed model cutoff of 4.881822997778678 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))

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))

Optimization terminated successfully.
         Current function value: -18.003503
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5085108831524856, total energy = -18.003503425182966

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: -18.003503
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.508510878775269, total energy = -18.00350342518297

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: -18.003503
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5085109092295186, total energy = -18.003503425182966

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: -18.003503
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.508510913746432, total energy = -18.003503425182934

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: -18.003503
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5085108899511406, total energy = -18.00350342518296

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: -18.003503
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.508510901406407, total energy = -18.003503425182974

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: -18.003503
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.508510913234204, total energy = -18.003503425182945

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: -18.003503
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5085109014064075, total energy = -18.003503425182963

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: -18.003503
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5085108933504676, total energy = -18.003503425182988

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: -18.003503
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.508510901778936, total energy = -18.003503425182952

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: -18.003503
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5085108910687257, total energy = -18.003503425182974

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: -18.003503
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.508510872721672, total energy = -18.00350342518296

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: -18.003503
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.508510902896523, total energy = -18.003503425182966

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))

Optimization terminated successfully.
         Current function value: -18.003503
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5085108727216716, total energy = -18.003503425182966

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: -18.003503
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.508510883411507, total energy = -18.003503425182974

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: -18.003503
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5085108801722527, total energy = -18.003503425182963

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: -18.003503
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.508510891164765, total energy = -18.00350342518296

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: -18.003503
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.508510882779955, total energy = -18.003503425182945

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: -18.003503
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.508510909229519, total energy = -18.003503425182963

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: -18.003503
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5085108678322254, total energy = -18.003503425182945

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...


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 "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 = [2.50851089] Angstroms and c = 3.27710490822498 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.027980
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.4825932709030187, c = 4.185687883737044, total energy = -18.027980418783415

Attempting to perform relaxation using initial lattice constant guess of a = [2.50851089] Angstroms and c = 3.481923964989041 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.027980
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.4825932704641622, c = 4.185687899379614, total energy = -18.027980418783418

Attempting to perform relaxation using initial lattice constant guess of a = [2.50851089] Angstroms and c = 3.6867430217531023 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.027980
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 2.4825932756165043, c = 4.185687908499002, total energy = -18.027980418783418

Attempting to perform relaxation using initial lattice constant guess of a = [2.50851089] Angstroms and c = 3.8915620785171634 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.027980
         Iterations: 63
         Function evaluations: 140
Results for this minimization:
  a = 2.4825932608767847, c = 4.185687962124448, total energy = -18.027980418783404

Attempting to perform relaxation using initial lattice constant guess of a = [2.50851089] Angstroms and c = 4.0963811352812245 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.027980
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 2.4825932677884586, c = 4.1856878616218856, total energy = -18.02798041878341

Attempting to perform relaxation using initial lattice constant guess of a = [2.50851089] Angstroms and c = 4.301200192045286 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.027980
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.482593276567032, c = 4.185687883699561, total energy = -18.027980418783407

Attempting to perform relaxation using initial lattice constant guess of a = [2.50851089] Angstroms and c = 4.506019248809347 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.027980
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.48259326572821, c = 4.185687908363533, total energy = -18.027980418783415

Attempting to perform relaxation using initial lattice constant guess of a = [2.50851089] Angstroms and c = 4.710838305573407 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.027980
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.4825932555364245, c = 4.185687903763505, total energy = -18.02798041878341

Attempting to perform relaxation using initial lattice constant guess of a = [2.50851089] Angstroms and c = 4.915657362337469 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -18.027980
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.482593270022397, c = 4.185687902207656, total energy = -18.027980418783415

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

 Final lattice Constants:
   a = 2.4825932704641622 Angstroms, c = 4.185687899379614 Angstroms, c/a = 1.686014

 Total energy: -18.027980418783418 eV

 Cohesive energy: -4.5069951046958545 eV/atom

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