Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005
Computed model cutoff of 5.508851360231647 Angstroms
Computed isolated atomic energy of 4.9999999997e-06 eV for species Cu

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

Optimization terminated successfully.
         Current function value: -14.129505
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.553778868727388, total energy = -14.129504752802866

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: -14.129505
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.553778905421496, total energy = -14.129504752802866

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: -14.129505
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.553778880741447, total energy = -14.129504752802893

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: -14.129505
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.553778913617136, total energy = -14.129504752802847

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: -14.129505
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5537788846588225, total energy = -14.129504752802857

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: -14.129505
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5537788892979743, total energy = -14.129504752802871

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: -14.129505
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.5537788845598692, total energy = -14.129504752802855

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: -14.129505
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.553778853965923, total energy = -14.12950475280283

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: -14.129505
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.553778872010298, total energy = -14.129504752802871

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: -14.129505
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5537788923829794, total energy = -14.129504752802887

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: -14.129505
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.553778913884889, total energy = -14.129504752802896

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: -14.129505
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.553778874874115, total energy = -14.129504752802852

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: -14.129505
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5537789054214954, total energy = -14.129504752802866

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: -14.129505
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5537788587389505, total energy = -14.129504752802847

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: -14.129505
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.553778883535413, total energy = -14.129504752802877

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: -14.129505
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.553778905421495, total energy = -14.129504752802863

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: -14.129505
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.553778891451654, total energy = -14.129504752802873

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: -14.129505
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.553778880741447, total energy = -14.12950475280289

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: -14.129505
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5537789184600084, total energy = -14.129504752802891

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: -14.129505
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.55377889573574, total energy = -14.129504752802854

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: -14.129505
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5537789097987122, total energy = -14.129504752802879

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: -14.129505
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5537788845598657, total energy = -14.12950475280285

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: -14.129505
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5537789184600115, total energy = -14.129504752802887

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...


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))

Optimization terminated successfully.
         Current function value: -14.129505
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5537788870744356, total energy = -14.129504752802877

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: -14.129505
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5537788720102963, total energy = -14.129504752802859

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.64375, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.775, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.625, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55377891] Angstroms and c = 3.336242802611734 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.129613
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.556044301997381, c = 4.1623368963430085, total energy = -14.129612551502108

Attempting to perform relaxation using initial lattice constant guess of a = [2.55377891] Angstroms and c = 3.5447579777749674 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.129613
         Iterations: 64
         Function evaluations: 142
Results for this minimization:
  a = 2.556044306182363, c = 4.162336875803149, total energy = -14.12961255150212

Attempting to perform relaxation using initial lattice constant guess of a = [2.55377891] Angstroms and c = 3.753273152938201 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.129613
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.5560443029018067, c = 4.162336804990586, total energy = -14.129612551502092

Attempting to perform relaxation using initial lattice constant guess of a = [2.55377891] Angstroms and c = 3.9617883281014343 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.129613
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.556044250748264, c = 4.162336939700632, total energy = -14.129612551502074

Attempting to perform relaxation using initial lattice constant guess of a = [2.55377891] Angstroms and c = 4.170303503264668 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.129613
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.5560443169780354, c = 4.162336762827161, total energy = -14.129612551502118

Attempting to perform relaxation using initial lattice constant guess of a = [2.55377891] Angstroms and c = 4.378818678427901 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.129613
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.556044288892923, c = 4.1623367184339894, total energy = -14.129612551502047

Attempting to perform relaxation using initial lattice constant guess of a = [2.55377891] Angstroms and c = 4.587333853591135 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.129613
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.5560442520642574, c = 4.1623369243766515, total energy = -14.129612551502046

Attempting to perform relaxation using initial lattice constant guess of a = [2.55377891] Angstroms and c = 4.795849028754368 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.129613
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.556044268821052, c = 4.1623367931540525, total energy = -14.129612551502046

Attempting to perform relaxation using initial lattice constant guess of a = [2.55377891] Angstroms and c = 5.004364203917602 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.129613
         Iterations: 71
         Function evaluations: 158
Results for this minimization:
  a = 2.5560443560793105, c = 4.162336742218676, total energy = -14.129612551502063

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

 Final lattice Constants:
   a = 2.556044306182363 Angstroms, c = 4.162336875803149 Angstroms, c/a = 1.628429

 Total energy: -14.12961255150212 eV

 Cohesive energy: -3.53240313787553 eV/atom

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