Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005
Computed model cutoff of 4.979950964525363 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))

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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -14.147731
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5540116742253316, total energy = -14.147731065180874

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: -14.147731
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5540116811171174, total energy = -14.147731065180922

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: -14.147731
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5540117740631114, total energy = -14.147731065180931

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: -14.147731
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.554011774063111, total energy = -14.147731065180936

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: -14.147731
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5540116785326976, total energy = -14.147731065180908

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: -14.147731
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5540117104304954, total energy = -14.14773106518095

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: -14.147731
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.5540117136552, total energy = -14.147731065180903

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: -14.147731
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.554011663794518, total energy = -14.14773106518082

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: -14.147731
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5540117140859353, total energy = -14.14773106518096

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: -14.147731
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5540117107331746, total energy = -14.147731065180894

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: -14.147731
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.554011699557303, total energy = -14.14773106518096

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: -14.147731
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.554011743122828, total energy = -14.147731065180906

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: -14.147731
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5540117602795362, total energy = -14.147731065180913

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: -14.147731
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5540117053023996, total energy = -14.147731065180908

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: -14.147731
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.55401167422533, total energy = -14.147731065180881

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: -14.147731
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5540117845783215, total energy = -14.147731065180844

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: -14.147731
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5540116811171174, total energy = -14.14773106518092

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: -14.147731
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.554011699557301, total energy = -14.147731065180965

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: -14.147731
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5540117740631088, total energy = -14.14773106518089

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: -14.147731
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.554011781699957, total energy = -14.147731065180839

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: -14.147731
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5540117740631074, total energy = -14.147731065180887

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: -14.147731
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5540117337950505, total energy = -14.147731065180924

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...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.5540117] Angstroms and c = 3.3365469125407152 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147917
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 2.5570019727681284, c = 4.160845314289661, total energy = -14.147916949314192

Attempting to perform relaxation using initial lattice constant guess of a = [2.5540117] Angstroms and c = 3.5450810945745097 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147917
         Iterations: 67
         Function evaluations: 151
Results for this minimization:
  a = 2.557002041498225, c = 4.160845269460519, total energy = -14.147916949314267

Attempting to perform relaxation using initial lattice constant guess of a = [2.5540117] Angstroms and c = 3.753615276608304 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147917
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.5570020699483553, c = 4.160845246096028, total energy = -14.147916949314313

Attempting to perform relaxation using initial lattice constant guess of a = [2.5540117] Angstroms and c = 3.9621494586420987 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147917
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 2.5570021057851147, c = 4.1608451462851335, total energy = -14.147916949314254

Attempting to perform relaxation using initial lattice constant guess of a = [2.5540117] Angstroms and c = 4.170683640675893 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147917
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.557002075337963, c = 4.160845310563554, total energy = -14.147916949314238

Attempting to perform relaxation using initial lattice constant guess of a = [2.5540117] Angstroms and c = 4.379217822709688 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147917
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.55700204937747, c = 4.160845192747686, total energy = -14.147916949314242

Attempting to perform relaxation using initial lattice constant guess of a = [2.5540117] Angstroms and c = 4.587752004743482 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147917
         Iterations: 82
         Function evaluations: 164
Results for this minimization:
  a = 2.557002081337038, c = 4.160845181425583, total energy = -14.147916949314272

Attempting to perform relaxation using initial lattice constant guess of a = [2.5540117] Angstroms and c = 4.796286186777277 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147917
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.5570020550770973, c = 4.160845258582529, total energy = -14.147916949314263

Attempting to perform relaxation using initial lattice constant guess of a = [2.5540117] Angstroms and c = 5.004820368811071 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147917
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.557002039550534, c = 4.160845190428102, total energy = -14.147916949314245

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

 Final lattice Constants:
   a = 2.5570020699483553 Angstroms, c = 4.160845246096028 Angstroms, c/a = 1.627236

 Total energy: -14.147916949314313 eV

 Cohesive energy: -3.536979237328578 eV/atom

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