Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_SamolyukBelandStocks_2016_NiPd__MO_532072268679_000
Computed model cutoff of 5.167995548248309 Angstroms
Computed isolated atomic energy of -0.0272614018 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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.595691
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4908867911552077, total energy = -17.59569102009842

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.595691
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4908867861377075, total energy = -17.595691020098414

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.595691
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.4908867785125084, total energy = -17.595691020098418

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: -17.595691
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4908867910504355, total energy = -17.595691020098418

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: -17.595691
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4908867912832666, total energy = -17.595691020098407

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: -17.595691
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4908867418766016, total energy = -17.595691020098354

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: -17.595691
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.490886799991131, total energy = -17.595691020098393

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: -17.595691
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.490886790305378, total energy = -17.59569102009843

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: -17.595691
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4908867877209566, total energy = -17.59569102009841

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: -17.595691
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.4908867910504346, total energy = -17.59569102009841

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: -17.595691
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4908867884601924, total energy = -17.595691020098425

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: -17.595691
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4908867885824293, total energy = -17.59569102009844

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: -17.595691
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4908867496997114, total energy = -17.59569102009836

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: -17.595691
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4908867783844464, total energy = -17.595691020098403

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: -17.595691
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4908867806196207, total energy = -17.595691020098425

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: -17.595691
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.490886790771035, total energy = -17.5956910200984

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: -17.595691
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4908867839258164, total energy = -17.595691020098414

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: -17.595691
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.490886786137707, total energy = -17.59569102009843

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: -17.595691
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.49088679042179, total energy = -17.59569102009842

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: -17.595691
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.490886731445788, total energy = -17.595691020098357

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: -17.595691
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4908867721533143, total energy = -17.595691020098407

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: -17.595691
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.49088678881526, total energy = -17.5956910200984

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: -17.595691
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4908867727499415, total energy = -17.595691020098396

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: -17.595691
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4908868089318266, total energy = -17.595691020098414

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: -17.595691
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4908867589198067, total energy = -17.59569102009841

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: -17.595691
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4908867841586444, total energy = -17.59569102009841

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: -17.595691
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4908867887643282, total energy = -17.595691020098442

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: -17.595691
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4908867516554847, total energy = -17.59569102009836

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: -17.595691
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.490886807581408, total energy = -17.595691020098418

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: -17.595691
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.490886786580087, total energy = -17.595691020098393

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: -17.595691
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4908868100494117, total energy = -17.595691020098393

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: -17.595691
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4908867885824293, total energy = -17.595691020098442

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: -17.595691
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4908868026774087, total energy = -17.5956910200984

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: -17.595691
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.490886789793146, total energy = -17.59569102009843

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49088679] Angstroms and c = 3.254080874406587 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598927
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.4819031335706105, c = 4.104854521268043, total energy = -17.59892681484643

Attempting to perform relaxation using initial lattice constant guess of a = [2.49088679] Angstroms and c = 3.457460929056999 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598927
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.4819031568636607, c = 4.104854562043096, total energy = -17.598926814846443

Attempting to perform relaxation using initial lattice constant guess of a = [2.49088679] Angstroms and c = 3.660840983707411 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598927
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.4819031523205393, c = 4.104854458572151, total energy = -17.598926814846457

Attempting to perform relaxation using initial lattice constant guess of a = [2.49088679] Angstroms and c = 3.864221038357823 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598927
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.481903156537096, c = 4.104854499724834, total energy = -17.59892681484643

Attempting to perform relaxation using initial lattice constant guess of a = [2.49088679] Angstroms and c = 4.067601093008235 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598927
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 2.48190314240194, c = 4.1048544562045794, total energy = -17.598926814846468

Attempting to perform relaxation using initial lattice constant guess of a = [2.49088679] Angstroms and c = 4.270981147658647 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598927
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.481903175085608, c = 4.104854428681895, total energy = -17.598926814846454

Attempting to perform relaxation using initial lattice constant guess of a = [2.49088679] Angstroms and c = 4.474361202309058 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598927
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.4819031488443564, c = 4.1048544300574905, total energy = -17.598926814846426

Attempting to perform relaxation using initial lattice constant guess of a = [2.49088679] Angstroms and c = 4.67774125695947 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598927
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.4819031463405725, c = 4.104854503211014, total energy = -17.598926814846447

Attempting to perform relaxation using initial lattice constant guess of a = [2.49088679] Angstroms and c = 4.881121311609882 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598927
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.481903154351408, c = 4.1048544168387835, total energy = -17.598926814846447

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

 Final lattice Constants:
   a = 2.48190314240194 Angstroms, c = 4.1048544562045794 Angstroms, c/a = 1.653914

 Total energy: -17.598926814846468 eV

 Cohesive energy: -4.399731703711617 eV/atom

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