Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005
Computed model cutoff of 5.4872167968750105 Angstroms
Computed isolated atomic energy of -0.042223632109995725 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: -13.090703
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.466310784383682, total energy = -13.090703330808648

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: -13.090703
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.4663107156753563, total energy = -13.09070333080861

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: -13.090703
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.466310750367121, total energy = -13.09070333080863

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: -13.090703
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.466310781985522, total energy = -13.090703330808635

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: -13.090703
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4663107888773084, total energy = -13.090703330808616

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: -13.090703
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.466310788691045, total energy = -13.09070333080864

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: -13.090703
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.466310751164566, total energy = -13.090703330808617

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: -13.090703
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.466310715675355, total energy = -13.090703330808621

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: -13.090703
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.4663107156753536, total energy = -13.09070333080862

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: -13.090703
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4663107414380647, total energy = -13.090703330808628

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: -13.090703
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.466310789156705, total energy = -13.090703330808646

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: -13.090703
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.466310783103108, total energy = -13.090703330808632

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: -13.090703
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.46631077164784, total energy = -13.090703330808642

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: -13.090703
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.4663107156753528, total energy = -13.090703330808621

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: -13.090703
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4663107958622277, total energy = -13.09070333080859

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: -13.090703
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.466310750367119, total energy = -13.090703330808637

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: -13.090703
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.466310792788862, total energy = -13.09070333080863

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: -13.090703
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4663107819855212, total energy = -13.090703330808632

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: -13.090703
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.466310730576513, total energy = -13.090703330808617

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: -13.090703
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4663107888773084, total energy = -13.09070333080862

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: -13.090703
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4663108408451033, total energy = -13.090703330808571

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: -13.090703
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4663107886910423, total energy = -13.090703330808651

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: -13.090703
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4663107841275647, total energy = -13.09070333080863

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: -13.090703
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.466310751065609, total energy = -13.090703330808607

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))

Optimization terminated successfully.
         Current function value: -13.090703
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.4663107156753497, total energy = -13.0907033308086

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: -13.090703
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4663107655942427, total energy = -13.09070333080867

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: -13.090703
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4663107156753554, total energy = -13.090703330808608

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: -13.090703
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.4663108006119696, total energy = -13.09070333080866

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.5, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.637500000000001, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.5125, total energy = 0.0

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: 98
Results for this minimization:
  a = 5.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.46631077] Angstroms and c = 3.2219748921807065 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.090916
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.4702962973493707, c = 4.013686120551748, total energy = -13.090915547212896

Attempting to perform relaxation using initial lattice constant guess of a = [2.46631077] Angstroms and c = 3.4233483229420005 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.090916
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.47029633022627, c = 4.013686109718711, total energy = -13.090915547212898

Attempting to perform relaxation using initial lattice constant guess of a = [2.46631077] Angstroms and c = 3.6247217537032945 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.090916
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 2.4702962780231523, c = 4.013686086071612, total energy = -13.090915547212898

Attempting to perform relaxation using initial lattice constant guess of a = [2.46631077] Angstroms and c = 3.8260951844645885 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.090916
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.4702962816445355, c = 4.013686033016925, total energy = -13.090915547212882

Attempting to perform relaxation using initial lattice constant guess of a = [2.46631077] Angstroms and c = 4.0274686152258825 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.090916
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.4702963008904106, c = 4.013686078843486, total energy = -13.090915547212887

Attempting to perform relaxation using initial lattice constant guess of a = [2.46631077] Angstroms and c = 4.228842045987177 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.090916
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 2.470296327343046, c = 4.01368600748339, total energy = -13.09091554721292

Attempting to perform relaxation using initial lattice constant guess of a = [2.46631077] Angstroms and c = 4.4302154767484705 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.090916
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.470296323009414, c = 4.013686101346554, total energy = -13.090915547212887

Attempting to perform relaxation using initial lattice constant guess of a = [2.46631077] Angstroms and c = 4.631588907509764 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.090916
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.4702963200838175, c = 4.01368615924558, total energy = -13.090915547212893

Attempting to perform relaxation using initial lattice constant guess of a = [2.46631077] Angstroms and c = 4.8329623382710585 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.090916
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.4702963309915917, c = 4.013686029102362, total energy = -13.09091554721287

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

 Final lattice Constants:
   a = 2.470296327343046 Angstroms, c = 4.01368600748339 Angstroms, c/a = 1.624779

 Total energy: -13.09091554721292 eV

 Cohesive energy: -3.27272888680323 eV/atom

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