Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: EAM_Dynamo_LiSiegelAdams_2003_Ta__MO_103054252769_005
Computed model cutoff of 3.983711862564087 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ta

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.0 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 = 2.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.125 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 = 2.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.25 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 = 2.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.375 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 = 2.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.5 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 = 2.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.625 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 = 2.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -31.806069
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.972617051005363, total energy = -31.806068896171755

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: -31.806069
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9726170493057005, total energy = -31.806068896171755

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: -31.806069
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.9726170510053636, total energy = -31.806068896171755

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: -31.806069
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.972617038176395, total energy = -31.806068896171748

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 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 = 3.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -31.806069
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.972617048455868, total energy = -31.80606889617174

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: -31.806069
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9726170508190983, total energy = -31.806068896171755

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 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 = 3.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.75 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 = 3.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -31.806069
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9726170491427166, total energy = -31.80606889617174

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 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 = 4.0 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 = [2.97261705] Angstroms and c = 3.8834106536853423 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.806069
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.972617027125837, c = 4.8542633154667705, total energy = -31.806068896171727

Attempting to perform relaxation using initial lattice constant guess of a = [2.97261705] Angstroms and c = 4.126123819540676 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.806069
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.9726170481465615, c = 4.854263284596822, total energy = -31.806068896171734

Attempting to perform relaxation using initial lattice constant guess of a = [2.97261705] Angstroms and c = 4.36883698539601 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.806069
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.972617037242539, c = 4.854263302234706, total energy = -31.806068896171745

Attempting to perform relaxation using initial lattice constant guess of a = [2.97261705] Angstroms and c = 4.611550151251343 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.806069
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.972617039689423, c = 4.854263320857569, total energy = -31.806068896171748

Attempting to perform relaxation using initial lattice constant guess of a = [2.97261705] Angstroms and c = 4.8542633171066765 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.806069
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.972617051005363, c = 4.8542633171066765, total energy = -31.806068896171748

Attempting to perform relaxation using initial lattice constant guess of a = [2.97261705] Angstroms and c = 5.096976482962011 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.806069
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.972617021292058, c = 4.854263364078288, total energy = -31.80606889617173

Attempting to perform relaxation using initial lattice constant guess of a = [2.97261705] Angstroms and c = 5.339689648817345 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.806069
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.9726170576847535, c = 4.854263292171334, total energy = -31.806068896171748

Attempting to perform relaxation using initial lattice constant guess of a = [2.97261705] Angstroms and c = 5.582402814672678 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.806069
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.9726170244544816, c = 4.854263369680165, total energy = -31.806068896171734

Attempting to perform relaxation using initial lattice constant guess of a = [2.97261705] Angstroms and c = 5.825115980528011 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.806069
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.9726170442616713, c = 4.854263425654725, total energy = -31.806068896171702

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

 Final lattice Constants:
   a = [2.97261705] Angstroms, c = [4.85426332] Angstroms, c/a = 1.632993

 Total energy: -31.806068896171755 eV

 Cohesive energy: -7.951517224042939 eV/atom

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