Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pd__MO_786012902615_000
Computed model cutoff of 5.300000002458708 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pd

==============================================================================
==============================================================================
 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: -15.627789
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7494031353853643, total energy = -15.627788532762846

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: -15.627789
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.749403102509679, total energy = -15.627788532762834

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: -15.627789
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.749403097108007, total energy = -15.627788532762786

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: -15.627789
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.749403149355203, total energy = -15.627788532762809

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: -15.627789
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.749403136363253, total energy = -15.627788532762807

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: -15.627789
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7494031336391345, total energy = -15.627788532762846

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: -15.627789
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.7494031364680263, total energy = -15.627788532762832

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: -15.627789
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.749403111380525, total energy = -15.627788532762878

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: -15.627789
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7494031546404583, total energy = -15.627788532762843

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: -15.627789
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7494031362235534, total energy = -15.627788532762816

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: -15.627789
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7494031575042754, total energy = -15.627788532762793

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: -15.627789
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7494031536392862, total energy = -15.62778853276278

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: -15.627789
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.749403111007995, total energy = -15.627788532762874

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: -15.627789
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7494031310081466, total energy = -15.627788532762834

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: -15.627789
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7494031051173793, total energy = -15.627788532762832

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: -15.627789
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7494031119858846, total energy = -15.627788532762798

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: -15.627789
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.749403102509674, total energy = -15.627788532762825

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: -15.627789
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7494030971080052, total energy = -15.627788532762791

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: -15.627789
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 2.7494031362235565, total energy = -15.627788532762834

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: -15.627789
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7494030971080035, total energy = -15.627788532762763

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.627789
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.7494031017122325, total energy = -15.62778853276276

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.627789
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.7494031518697692, total energy = -15.627788532762784

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: -15.627789
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.749403131008147, total energy = -15.627788532762828

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: -15.627789
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7494031487498463, total energy = -15.627788532762816

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...


Attempting to perform relaxation using initial lattice constant guess of a = 5.125 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 = 5.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.25 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 = 5.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.375 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 = 5.375 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 = [2.74940311] Angstroms and c = 3.591805184054801 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627928
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.752135138719302, c = 4.480840712848366, total energy = -15.627928255429262

Attempting to perform relaxation using initial lattice constant guess of a = [2.74940311] Angstroms and c = 3.816293008058226 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627928
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.7521351488342356, c = 4.480840657318499, total energy = -15.627928255429289

Attempting to perform relaxation using initial lattice constant guess of a = [2.74940311] Angstroms and c = 4.040780832061651 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627928
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.7521351288290785, c = 4.4808405708755235, total energy = -15.627928255429293

Attempting to perform relaxation using initial lattice constant guess of a = [2.74940311] Angstroms and c = 4.265268656065076 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627928
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.7521351619372623, c = 4.480840451200473, total energy = -15.627928255429246

Attempting to perform relaxation using initial lattice constant guess of a = [2.74940311] Angstroms and c = 4.4897564800685 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627928
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.7521351327694275, c = 4.480840623489786, total energy = -15.627928255429275

Attempting to perform relaxation using initial lattice constant guess of a = [2.74940311] Angstroms and c = 4.714244304071926 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627928
         Iterations: 67
         Function evaluations: 151
Results for this minimization:
  a = 2.7521351662993756, c = 4.4808406440705415, total energy = -15.627928255429248

Attempting to perform relaxation using initial lattice constant guess of a = [2.74940311] Angstroms and c = 4.938732128075351 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627928
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.752135147507368, c = 4.48084055766843, total energy = -15.62792825542932

Attempting to perform relaxation using initial lattice constant guess of a = [2.74940311] Angstroms and c = 5.163219952078776 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627928
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.752135115271809, c = 4.4808406587783445, total energy = -15.6279282554293

Attempting to perform relaxation using initial lattice constant guess of a = [2.74940311] Angstroms and c = 5.3877077760822 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627928
         Iterations: 75
         Function evaluations: 163
Results for this minimization:
  a = 2.7521350917846377, c = 4.480840764614728, total energy = -15.62792825542926

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

 Final lattice Constants:
   a = 2.752135147507368 Angstroms, c = 4.48084055766843 Angstroms, c/a = 1.628132

 Total energy: -15.62792825542932 eV

 Cohesive energy: -3.90698206385733 eV/atom

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