Element = Lattice = Model = Element: H
Lattice: hcp
Model: EAM_Dynamo_ZhouZimmermanWong_2008_PdH__MO_114797992931_000
Computed model cutoff of 5.350000000298038 Angstroms
Computed isolated atomic energy of -0.003091287713286869 eV for species H

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

Optimization terminated successfully.
         Current function value: -6.957584
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.325476036360489, total energy = -6.957583794856365

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.957584
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.3254760567098858, total energy = -6.957583794856347

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: -6.957584
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.3254760385374538, total energy = -6.957583794856368

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: -6.957584
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.3254760388226714, total energy = -6.957583794856363

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: -6.957584
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.3254760354757327, total energy = -6.957583794856361

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: -6.957584
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.3254760384093975, total energy = -6.957583794856368

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: -6.957584
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.325476041529328, total energy = -6.95758379485636

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: -6.957584
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.3254760269075625, total energy = -6.957583794856362

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: -6.957584
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.3254760270938277, total energy = -6.957583794856352

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: -6.957584
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.3254760404117403, total energy = -6.957583794856365

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: -6.957584
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.325476031005382, total energy = -6.95758379485637

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: -6.957584
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.3254760414361946, total energy = -6.957583794856354

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: -6.957584
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.3254760339856126, total energy = -6.957583794856349

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: -6.957584
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.325476019177586, total energy = -6.9575837948563555

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: -6.957584
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.3254760370356946, total energy = -6.957583794856353

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: -6.957584
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.3254760331474236, total energy = -6.957583794856353

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: -6.957584
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.3254760279436595, total energy = -6.957583794856356

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: -6.957584
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.3254760287818472, total energy = -6.957583794856357

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: -6.957584
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.3254760415293276, total energy = -6.957583794856354

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: -6.957584
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.325476013496514, total energy = -6.957583794856345

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: -6.957584
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.325476041436194, total energy = -6.957583794856353

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: -6.957584
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.325476028956474, total energy = -6.957583794856351

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 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 = 4.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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))

Optimization terminated successfully.
         Current function value: -6.957584
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.32547602326376, total energy = -6.95758379485635

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.957584
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.32547604246065, total energy = -6.957583794856355

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.957584
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.325476038223126, total energy = -6.957583794856355

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.957584
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.3254760404117385, total energy = -6.95758379485636

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.957584
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.3254760344978442, total energy = -6.957583794856358

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.32547603] Angstroms and c = 3.037989165352437 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.964296
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.307049373868905, c = 3.8578672240035874, total energy = -6.96429620886924

Attempting to perform relaxation using initial lattice constant guess of a = [2.32547603] Angstroms and c = 3.2278634881869643 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.964296
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.307049373323985, c = 3.8578672382284163, total energy = -6.964296208869234

Attempting to perform relaxation using initial lattice constant guess of a = [2.32547603] Angstroms and c = 3.4177378110214915 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.964296
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.307049390817473, c = 3.8578672004974734, total energy = -6.964296208869234

Attempting to perform relaxation using initial lattice constant guess of a = [2.32547603] Angstroms and c = 3.6076121338560188 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.964296
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.307049375048005, c = 3.8578672605611932, total energy = -6.964296208869236

Attempting to perform relaxation using initial lattice constant guess of a = [2.32547603] Angstroms and c = 3.797486456690546 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.964296
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.307049356825195, c = 3.857867246321517, total energy = -6.964296208869234

Attempting to perform relaxation using initial lattice constant guess of a = [2.32547603] Angstroms and c = 3.987360779525073 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.964296
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.3070493894314352, c = 3.8578671704725322, total energy = -6.9642962088692295

Attempting to perform relaxation using initial lattice constant guess of a = [2.32547603] Angstroms and c = 4.1772351023596 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.964296
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.3070493623658095, c = 3.8578672210858906, total energy = -6.964296208869232

Attempting to perform relaxation using initial lattice constant guess of a = [2.32547603] Angstroms and c = 4.367109425194128 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.964296
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.3070493755544534, c = 3.8578672432192813, total energy = -6.964296208869243

Attempting to perform relaxation using initial lattice constant guess of a = [2.32547603] Angstroms and c = 4.556983748028655 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.964296
         Iterations: 78
         Function evaluations: 165
Results for this minimization:
  a = 2.3070493652338246, c = 3.8578672648456704, total energy = -6.964296208869234

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

 Final lattice Constants:
   a = 2.3070493755544534 Angstroms, c = 3.8578672432192813 Angstroms, c/a = 1.672208

 Total energy: -6.964296208869243 eV

 Cohesive energy: -1.7410740522173107 eV/atom

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