Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_AngeloMoodyBaskes_1995_NiAlH__MO_418978237058_005
Computed model cutoff of 4.820441636741187 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: -17.726324
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.505750431120396, total energy = -17.726323709853233

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: -17.726324
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5057504512369633, total energy = -17.726323709853247

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: -17.726324
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5057504370808616, total energy = -17.72632370985324

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: -17.726324
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5057504370808603, total energy = -17.726323709853247

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: -17.726324
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5057504536816855, total energy = -17.72632370985323

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: -17.726324
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5057504480239006, total energy = -17.72632370985324

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: -17.726324
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5057504270225763, total energy = -17.726323709853233

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: -17.726324
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.505750440410338, total energy = -17.72632370985324

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: -17.726324
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5057504429481914, total energy = -17.726323709853244

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: -17.726324
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.505750445928424, total energy = -17.726323709853236

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: -17.726324
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.505750451236962, total energy = -17.726323709853247

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: -17.726324
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.505750448908657, total energy = -17.726323709853236

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: -17.726324
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5057504530996084, total energy = -17.72632370985324

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: -17.726324
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.5057504311203953, total energy = -17.726323709853236

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: -17.726324
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.505750441265989, total energy = -17.726323709853236

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: -17.726324
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.505750431679189, total energy = -17.726323709853222

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: -17.726324
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5057504456432027, total energy = -17.72632370985324

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: -17.726324
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5057504177093497, total energy = -17.72632370985321

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: -17.726324
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5057504316791905, total energy = -17.726323709853226

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: -17.726324
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.505750456079838, total energy = -17.726323709853236

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 = [2.50575045] Angstroms and c = 3.2734986817489395 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749745
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.4795851345740516, c = 4.178569152992361, total energy = -17.749744593963616

Attempting to perform relaxation using initial lattice constant guess of a = [2.50575045] Angstroms and c = 3.4780923493582483 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749745
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.479585120511183, c = 4.178569173063563, total energy = -17.749744593963623

Attempting to perform relaxation using initial lattice constant guess of a = [2.50575045] Angstroms and c = 3.682686016967557 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749745
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.47958514455617, c = 4.178569164334036, total energy = -17.74974459396361

Attempting to perform relaxation using initial lattice constant guess of a = [2.50575045] Angstroms and c = 3.887279684576866 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749745
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.4795851397267192, c = 4.178569117453734, total energy = -17.749744593963612

Attempting to perform relaxation using initial lattice constant guess of a = [2.50575045] Angstroms and c = 4.091873352186175 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749745
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.479585102235835, c = 4.178569162869722, total energy = -17.749744593963612

Attempting to perform relaxation using initial lattice constant guess of a = [2.50575045] Angstroms and c = 4.296467019795483 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749745
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.4795851250438288, c = 4.178569191742534, total energy = -17.74974459396362

Attempting to perform relaxation using initial lattice constant guess of a = [2.50575045] Angstroms and c = 4.501060687404792 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749745
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.47958511771788, c = 4.178569178515839, total energy = -17.749744593963616

Attempting to perform relaxation using initial lattice constant guess of a = [2.50575045] Angstroms and c = 4.705654355014101 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749745
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.479585121952594, c = 4.178569140291785, total energy = -17.749744593963612

Attempting to perform relaxation using initial lattice constant guess of a = [2.50575045] Angstroms and c = 4.91024802262341 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.749745
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.4795851097229162, c = 4.178569149274226, total energy = -17.749744593963616

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

 Final lattice Constants:
   a = 2.479585120511183 Angstroms, c = 4.178569173063563 Angstroms, c/a = 1.685189

 Total energy: -17.749744593963623 eV

 Cohesive energy: -4.437436148490906 eV/atom

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