Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005
Computed model cutoff of 6.287857228070535 Angstroms
Computed isolated atomic energy of 0.0 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))

Optimization terminated successfully.
         Current function value: -14.128616
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.5628998801112224, total energy = -14.128615592964989

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: -14.128616
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5628998808562784, total energy = -14.128615592965025

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: -14.128616
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5628998447209623, total energy = -14.128615592965009

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: -14.128616
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.562899905769154, total energy = -14.128615592964946

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: -14.128616
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.56289990991354, total energy = -14.128615592964977

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: -14.128616
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5628998760134003, total energy = -14.12861559296496

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: -14.128616
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.562899872381241, total energy = -14.128615592964996

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: -14.128616
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.562899888679385, total energy = -14.128615592964987

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: -14.128616
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5628998530271923, total energy = -14.128615592964973

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: -14.128616
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.562899883836508, total energy = -14.128615592964987

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: -14.128616
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5628999012871647, total energy = -14.128615592964964

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: -14.128616
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5628998883068554, total energy = -14.128615592965

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: -14.128616
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.56289990376681, total energy = -14.128615592964989

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: -14.128616
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5628998875617968, total energy = -14.128615592964989

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: -14.128616
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.562899892218411, total energy = -14.12861559296496

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: -14.128616
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5628999064676474, total energy = -14.128615592964943

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: -14.128616
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5628998786210997, total energy = -14.128615592964977

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: -14.128616
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5628999057691533, total energy = -14.12861559296496

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: -14.128616
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5628998883068537, total energy = -14.128615592964973

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: -14.128616
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.56289990991354, total energy = -14.128615592964959

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: -14.128616
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.562899884959912, total energy = -14.128615592964964

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: -14.128616
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5628998883068554, total energy = -14.128615592964987

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: -14.128616
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.562899873452262, total energy = -14.128615592964985

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: -14.128616
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5628998581320026, total energy = -14.128615592964962

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: -14.128616
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5628998420434073, total energy = -14.128615592964971

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: -14.128616
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5628998811356674, total energy = -14.12861559296497

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: -14.128616
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.562899904581716, total energy = -14.128615592964952

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: -14.128616
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5628998533589775, total energy = -14.128615592964948

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: -14.128616
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5628998781670784, total energy = -14.128615592964985

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: -14.128616
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5628998819738626, total energy = -14.128615592964978

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: -14.128616
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.562899850354, total energy = -14.12861559296499

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: -14.128616
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5628998839296386, total energy = -14.128615592964989

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: -14.128616
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.562899869470858, total energy = -14.12861559296497

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: -14.128616
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.56289990264922, total energy = -14.128615592964957

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: -14.128616
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5628998988686362, total energy = -14.128615592964987

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.128616
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5628999037668048, total energy = -14.128615592964968

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.128616
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5628998678293993, total energy = -14.128615592964985

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.128616
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.562899887701488, total energy = -14.128615592964987

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.128616
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5628998715430464, total energy = -14.128615592964984

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.128616
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 2.5628998744650744, total energy = -14.128615592964987

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.128616
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.56289992794336, total energy = -14.128615592964934

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.56289988] Angstroms and c = 3.348158383966765 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128941
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.5588156624975706, c = 4.197376291631883, total energy = -14.128941090645673

Attempting to perform relaxation using initial lattice constant guess of a = [2.56289988] Angstroms and c = 3.5574182829646874 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128941
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.558815686861268, c = 4.197376389615919, total energy = -14.128941090645665

Attempting to perform relaxation using initial lattice constant guess of a = [2.56289988] Angstroms and c = 3.76667818196261 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128941
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.558815660431872, c = 4.197376377685246, total energy = -14.12894109064569

Attempting to perform relaxation using initial lattice constant guess of a = [2.56289988] Angstroms and c = 3.9759380809605327 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128941
         Iterations: 73
         Function evaluations: 147
Results for this minimization:
  a = 2.5588156991802213, c = 4.197376316945958, total energy = -14.128941090645665

Attempting to perform relaxation using initial lattice constant guess of a = [2.56289988] Angstroms and c = 4.185197979958455 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128941
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.558815677535063, c = 4.197376283683788, total energy = -14.128941090645673

Attempting to perform relaxation using initial lattice constant guess of a = [2.56289988] Angstroms and c = 4.394457878956378 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128941
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.5588156429373736, c = 4.197376492209452, total energy = -14.128941090645633

Attempting to perform relaxation using initial lattice constant guess of a = [2.56289988] Angstroms and c = 4.603717777954301 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128941
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.558815661030342, c = 4.197376331567774, total energy = -14.128941090645656

Attempting to perform relaxation using initial lattice constant guess of a = [2.56289988] Angstroms and c = 4.812977676952223 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128941
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 2.5588156292048, c = 4.197376352939738, total energy = -14.128941090645633

Attempting to perform relaxation using initial lattice constant guess of a = [2.56289988] Angstroms and c = 5.022237575950146 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.128941
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.5588156923212786, c = 4.1973763323483935, total energy = -14.128941090645654

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

 Final lattice Constants:
   a = 2.558815660431872 Angstroms, c = 4.197376377685246 Angstroms, c/a = 1.640359

 Total energy: -14.12894109064569 eV

 Cohesive energy: -3.5322352726614223 eV/atom

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