Element = Lattice = Model = Element: Si
Lattice: hcp
Model: SW_StillingerWeber_1985_Si__MO_405512056662_006
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: 42
         Function evaluations: 87
Results for this minimization:
  a = 2.9320762043818878, total energy = -15.760530944858177

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: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.932076210528612, total energy = -15.760530944858164

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: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.932076203171164, total energy = -15.760530944858186

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: 82
Results for this minimization:
  a = 2.93207620978356, total energy = -15.760530944858159

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: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.932076198235158, total energy = -15.760530944858187

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: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.932076193601825, total energy = -15.760530944858184

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: 78
Results for this minimization:
  a = 2.9320761999115352, total energy = -15.760530944858182

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9320761845447123, total energy = -15.76053094485815

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: 77
Results for this minimization:
  a = 2.93207620084286, total energy = -15.760530944858186

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9320761906914425, total energy = -15.760530944858173

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9320762071758515, total energy = -15.760530944858177

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.932076191925441, total energy = -15.76053094485817

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: 72
Results for this minimization:
  a = 2.932076200377196, total energy = -15.760530944858187

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: 70
Results for this minimization:
  a = 2.9320761999115357, total energy = -15.760530944858186

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: 69
Results for this minimization:
  a = 2.932076209783554, total energy = -15.760530944858166

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: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.932076189294458, total energy = -15.760530944858175

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: 67
Results for this minimization:
  a = 2.932076198235154, total energy = -15.76053094485819

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: 68
Results for this minimization:
  a = 2.932076200231677, total energy = -15.760530944858191

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9320762020768596, total energy = -15.760530944858186

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 = 2.9320762111572547, total energy = -15.76053094485817

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.932076202682219, total energy = -15.760530944858182

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9320762010669554, total energy = -15.760530944858184

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9320762013085186, total energy = -15.760530944858173

==============================================================================
==============================================================================
 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 = 3.8304483080139566 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.143451
         Iterations: 95
         Function evaluations: 191
Results for this minimization:
  a = 3.647017575639143, c = 3.2240001954688475, total energy = -16.1434513286254

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.069851327264829 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 79
         Function evaluations: 166
Results for this minimization:
  a = 2.9320762085249656, c = 4.788060359734596, total energy = -15.760530944858193

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.3092543465157025 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.9320761958606334, c = 4.78806040620138, total energy = -15.760530944858179

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.548657365766575 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.932076188232471, c = 4.788060416304058, total energy = -15.760530944858175

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 4.788060385017447 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.932076200418087, c = 4.7880603919239295, total energy = -15.760530944858175

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.02746340426832 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.9320761892695586, c = 4.788060413035666, total energy = -15.760530944858193

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.266866423519193 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 83
         Function evaluations: 170
Results for this minimization:
  a = 2.932076193175202, c = 4.788060412624553, total energy = -15.760530944858186

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.506269442770066 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.9320761870227616, c = 4.788060436917996, total energy = -15.760530944858175

Attempting to perform relaxation using initial lattice constant guess of a = [2.9320762] Angstroms and c = 5.745672462020938 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.760531
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 2.9320761927085686, c = 4.788060344648473, total energy = -15.760530944858155

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

 Final lattice Constants:
   a = 3.647017575639143 Angstroms, c = 3.2240001954688475 Angstroms, c/a = 0.884010

 Total energy: -16.1434513286254 eV

 Cohesive energy: -4.03586283215635 eV/atom

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