Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_StillingerWeber_1985_Si__MO_405512056662_005
Computed model cutoff of 3.717053969502455 Angstroms
Computed isolated atomic energy of 0.0 eV for species Si

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

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.9320761982351584, total energy = -15.76053094485818

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.9320762004703287, total energy = -15.76053094485819

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9320761933922768, total energy = -15.76053094485818

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: -15.760531
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.932076193392283, total energy = -15.760530944858186

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: -15.760531
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.932076208852235, total energy = -15.76053094485816

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: -15.760531
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9320762013201613, total energy = -15.760530944858186

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: -15.760531
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.9320761989336463, total energy = -15.760530944858186

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: -15.760531
         Iterations: 36
         Function evaluations: 73
Results for this minimization:
  a = 2.9320762013085186, total energy = -15.760530944858191

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: -15.760531
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.932076200470331, total energy = -15.760530944858193

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: -15.760531
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.932076201774181, total energy = -15.760530944858182

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: -15.760531
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.932076200470329, total energy = -15.76053094485818

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: -15.760531
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.932076208293437, total energy = -15.760530944858182

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: -15.760531
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9320761933922768, total energy = -15.760530944858184

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: -15.760531
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.932076198933647, total energy = -15.760530944858184

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: -15.760531
         Iterations: 32
         Function evaluations: 72
Results for this minimization:
  a = 2.9320761933922768, total energy = -15.76053094485819

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: -15.760531
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9320761989336463, total energy = -15.760530944858184

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: -15.760531
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.9320762059884142, total energy = -15.760530944858179

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: -15.760531
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9320761933922768, total energy = -15.760530944858187

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: -15.760531
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.9320762016985094, total energy = -15.760530944858187

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: -15.760531
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9320762003131673, total energy = -15.760530944858187

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: -15.760531
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.932076198852155, total energy = -15.760530944858191

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: -15.760531
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.932076194230466, total energy = -15.760530944858175

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: -15.760531
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.9320762020070106, total energy = -15.760530944858195

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 3.830448310333243 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.143451
         Iterations: 93
         Function evaluations: 190
Results for this minimization:
  a = 3.6470175731074392, c = 3.2240001984443225, total energy = -16.143451328625396

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.069851329729071 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.9320761874429566, c = 4.788060435245124, total energy = -15.760530944858175

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.309254349124898 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.932076198727506, c = 4.788060377820452, total energy = -15.760530944858173

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.548657368520725 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.932076194298249, c = 4.788060395841123, total energy = -15.760530944858182

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.788060387916553 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.9320762097158446, c = 4.788060374958183, total energy = -15.760530944858177

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.02746340731238 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 70
         Function evaluations: 144
Results for this minimization:
  a = 2.9320762103016555, c = 4.788060344644606, total energy = -15.760530944858179

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.266866426708208 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.9320762020323663, c = 4.788060402909164, total energy = -15.760530944858186

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.506269446104035 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.932076193802609, c = 4.788060414462164, total energy = -15.760530944858168

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.7456724654998625 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.932076199900566, c = 4.788060381950814, total energy = -15.760530944858177

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

 Final lattice Constants:
   a = 3.6470175731074392 Angstroms, c = 3.2240001984443225 Angstroms, c/a = 0.884010

 Total energy: -16.143451328625396 eV

 Cohesive energy: -4.035862832156349 eV/atom

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