Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Pd__MO_169076431435_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: -15.627274
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.749389399017673, total energy = -15.627273909598063

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: -15.627274
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.749389421939852, total energy = -15.627273909598097

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: -15.627274
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.749389348772821, total energy = -15.627273909598092

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: -15.627274
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7493894255603664, total energy = -15.62727390959805

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: -15.627274
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.7493893766310062, total energy = -15.627273909598165

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: -15.627274
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.749389394186437, total energy = -15.627273909598102

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: -15.627274
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.749389359727502, total energy = -15.627273909598106

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: -15.627274
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.7493893747217952, total energy = -15.627273909598124

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: -15.627274
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7493893636390565, total energy = -15.627273909598106

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: -15.627274
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.7493894147686655, total energy = -15.627273909598093

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: -15.627274
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.749389409291325, total energy = -15.627273909598129

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: -15.627274
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7493893235921854, total energy = -15.627273909597964

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: -15.627274
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.749389353161677, total energy = -15.627273909598072

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: -15.627274
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.7493893983541042, total energy = -15.627273909598154

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: -15.627274
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.749389388924464, total energy = -15.627273909598095

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: -15.627274
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.749389399017673, total energy = -15.627273909598076

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: -15.627274
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7493893830105636, total energy = -15.627273909598117

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: -15.627274
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7493894219398487, total energy = -15.627273909598083

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: -15.627274
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7493893675506134, total energy = -15.627273909598088

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: -15.627274
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7493893487728176, total energy = -15.627273909598095

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: -15.627274
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7493893222417682, total energy = -15.627273909598031

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: -15.627274
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.749389425560363, total energy = -15.627273909598028

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: -15.627274
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.749389375001191, total energy = -15.627273909598129

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: -15.627274
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7493893766310085, total energy = -15.627273909598166

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 = [2.74938938] Angstroms and c = 3.591787241053169 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627408
         Iterations: 82
         Function evaluations: 170
Results for this minimization:
  a = 2.751919778103054, c = 4.4814696183886795, total energy = -15.627408076718648

Attempting to perform relaxation using initial lattice constant guess of a = [2.74938938] Angstroms and c = 3.816273943618992 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627408
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.7519197413401457, c = 4.481469815592888, total energy = -15.627408076718629

Attempting to perform relaxation using initial lattice constant guess of a = [2.74938938] Angstroms and c = 4.040760646184815 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627408
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.7519197909321003, c = 4.481469553563571, total energy = -15.627408076718584

Attempting to perform relaxation using initial lattice constant guess of a = [2.74938938] Angstroms and c = 4.265247348750638 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627408
         Iterations: 64
         Function evaluations: 143
Results for this minimization:
  a = 2.7519197398140705, c = 4.48146974106423, total energy = -15.627408076718652

Attempting to perform relaxation using initial lattice constant guess of a = [2.74938938] Angstroms and c = 4.489734051316461 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627408
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.7519197489871052, c = 4.48146971554216, total energy = -15.627408076718709

Attempting to perform relaxation using initial lattice constant guess of a = [2.74938938] Angstroms and c = 4.714220753882284 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627408
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.7519197654127163, c = 4.481469566097252, total energy = -15.627408076718652

Attempting to perform relaxation using initial lattice constant guess of a = [2.74938938] Angstroms and c = 4.938707456448107 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627408
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.75191965834304, c = 4.481469768242665, total energy = -15.627408076718595

Attempting to perform relaxation using initial lattice constant guess of a = [2.74938938] Angstroms and c = 5.16319415901393 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627408
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 2.751919677847438, c = 4.481469661056842, total energy = -15.627408076718647

Attempting to perform relaxation using initial lattice constant guess of a = [2.74938938] Angstroms and c = 5.387680861579753 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.627408
         Iterations: 76
         Function evaluations: 168
Results for this minimization:
  a = 2.7519196707102807, c = 4.481469767854614, total energy = -15.627408076718638

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

 Final lattice Constants:
   a = 2.7519197489871052 Angstroms, c = 4.48146971554216 Angstroms, c/a = 1.628489

 Total energy: -15.627408076718709 eV

 Cohesive energy: -3.906852019179677 eV/atom

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