Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004
Computed model cutoff of 4.950000000149034 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: -14.147525
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5539720280095946, total energy = -14.147525368281173

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: -14.147525
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5539721087552607, total energy = -14.147525368281242

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: -14.147525
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.553972100466491, total energy = -14.147525368281213

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: -14.147525
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.553972088359297, total energy = -14.147525368281272

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: -14.147525
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.553972103167326, total energy = -14.147525368281208

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: -14.147525
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5539721020963038, total energy = -14.147525368281235

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: -14.147525
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.553972113877535, total energy = -14.147525368281208

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: -14.147525
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5539720827713612, total energy = -14.147525368281231

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: -14.147525
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.55397207395872, total energy = -14.147525368281213

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: -14.147525
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5539720572531217, total energy = -14.147525368281274

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: -14.147525
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.553972101211547, total energy = -14.147525368281201

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: -14.147525
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5539721245877445, total energy = -14.147525368281173

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: -14.147525
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5539720559492705, total energy = -14.147525368281224

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: -14.147525
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.5539720957021914, total energy = -14.147525368281245

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: -14.147525
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5539721042849113, total energy = -14.147525368281242

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: -14.147525
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.553972071662427, total energy = -14.147525368281249

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: -14.147525
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5539721087552607, total energy = -14.147525368281238

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: -14.147525
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.553972146287556, total energy = -14.14752536828113

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: -14.147525
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5539721004664884, total energy = -14.147525368281237

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: -14.147525
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5539720769040297, total energy = -14.147525368281292

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: -14.147525
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5539720501634258, total energy = -14.147525368281235

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: -14.147525
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.553972105262801, total energy = -14.147525368281213

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 = [2.55397208] Angstroms and c = 3.336495149723238 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.556978662625852, c = 4.160763623154265, total energy = -14.147712306652481

Attempting to perform relaxation using initial lattice constant guess of a = [2.55397208] Angstroms and c = 3.5450260965809406 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.556978709152302, c = 4.1607634676492165, total energy = -14.147712306652517

Attempting to perform relaxation using initial lattice constant guess of a = [2.55397208] Angstroms and c = 3.753557043438643 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 80
         Function evaluations: 166
Results for this minimization:
  a = 2.5569786843530435, c = 4.160763570949753, total energy = -14.147712306652524

Attempting to perform relaxation using initial lattice constant guess of a = [2.55397208] Angstroms and c = 3.9620879902963457 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 65
         Function evaluations: 145
Results for this minimization:
  a = 2.556978692660163, c = 4.16076351676019, total energy = -14.147712306652513

Attempting to perform relaxation using initial lattice constant guess of a = [2.55397208] Angstroms and c = 4.170618937154048 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.556978670409544, c = 4.160763445950307, total energy = -14.147712306652503

Attempting to perform relaxation using initial lattice constant guess of a = [2.55397208] Angstroms and c = 4.379149884011751 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.55697869706885, c = 4.160763520409073, total energy = -14.147712306652497

Attempting to perform relaxation using initial lattice constant guess of a = [2.55397208] Angstroms and c = 4.587680830869454 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 2.5569786440920304, c = 4.160763639829475, total energy = -14.147712306652481

Attempting to perform relaxation using initial lattice constant guess of a = [2.55397208] Angstroms and c = 4.796211777727156 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.556978690097261, c = 4.160763606986288, total energy = -14.147712306652503

Attempting to perform relaxation using initial lattice constant guess of a = [2.55397208] Angstroms and c = 5.004742724584858 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.147712
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 2.556978676426798, c = 4.160763608966446, total energy = -14.147712306652492

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

 Final lattice Constants:
   a = 2.5569786843530435 Angstroms, c = 4.160763570949753 Angstroms, c/a = 1.627219

 Total energy: -14.147712306652524 eV

 Cohesive energy: -3.536928076663131 eV/atom

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