Element = Lattice = Model = Element: Si
Lattice: hcp
Model: EDIP_JustoBazantKaxiras_1998_Si__MO_958932894036_002
Computed model cutoff of 3.1062956586480333 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: -11.229084
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.8828097566962283, total energy = -11.22908393022784

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: -11.229084
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.8828097559744474, total energy = -11.229083930227837

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: -11.229084
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.8828097572550178, total energy = -11.229083930227844

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: -11.229084
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.8828097570745808, total energy = -11.229083930227844

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: -11.229084
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.8828097568824926, total energy = -11.229083930227842

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: -11.229084
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.882809757208454, total energy = -11.22908393022784

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: -11.229084
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.88280975681264, total energy = -11.22908393022784

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: -11.229084
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.882809756323695, total energy = -11.229083930227842

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: -11.229084
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.8828097574412848, total energy = -11.229083930227842

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: -11.229084
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.882809757965153, total energy = -11.229083930227842

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: -11.229084
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.882809758279472, total energy = -11.229083930227842

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: -11.229084
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8828097559511647, total energy = -11.22908393022784

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: -11.229084
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.882809756381903, total energy = -11.229083930227844

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: -11.229084
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8828097568126405, total energy = -11.229083930227842

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: -11.229084
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 2.882809756882489, total energy = -11.229083930227842

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: -11.229084
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 2.8828097573947153, total energy = -11.22908393022784

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: -11.229084
         Iterations: 33
         Function evaluations: 67
Results for this minimization:
  a = 2.882809757161885, total energy = -11.229083930227844

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: -11.229084
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8828097583027557, total energy = -11.22908393022784

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: -11.229084
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.882809756603092, total energy = -11.229083930227839

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.88280976] Angstroms and c = 3.766086896422096 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.016981
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.4401500508211864, c = 3.094697321584127, total energy = -16.01698087639222

Attempting to perform relaxation using initial lattice constant guess of a = [2.88280976] Angstroms and c = 4.001467327448477 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.016981
         Iterations: 78
         Function evaluations: 158
Results for this minimization:
  a = 3.4401500168263857, c = 3.094697356446122, total energy = -16.016980876392225

Attempting to perform relaxation using initial lattice constant guess of a = [2.88280976] Angstroms and c = 4.236847758474858 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.016981
         Iterations: 84
         Function evaluations: 175
Results for this minimization:
  a = 3.440149990171948, c = 3.094697400305442, total energy = -16.016980876392225

Attempting to perform relaxation using initial lattice constant guess of a = [2.88280976] Angstroms and c = 4.472228189501239 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.016981
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 3.4401500451590943, c = 3.094697321157404, total energy = -16.01698087639222

Attempting to perform relaxation using initial lattice constant guess of a = [2.88280976] Angstroms and c = 4.70760862052762 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.968040
         Iterations: 95
         Function evaluations: 212
Results for this minimization:
  a = 2.560228119210771, c = 5.461637256498442, total energy = -14.968040071114157

Attempting to perform relaxation using initial lattice constant guess of a = [2.88280976] Angstroms and c = 4.942989051554001 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.968040
         Iterations: 87
         Function evaluations: 206
Results for this minimization:
  a = 2.5602281275741587, c = 5.645884569809645, total energy = -14.968040071114165

Attempting to perform relaxation using initial lattice constant guess of a = [2.88280976] Angstroms and c = 5.178369482580382 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.968040
         Iterations: 84
         Function evaluations: 192
Results for this minimization:
  a = 2.560228124540151, c = 5.560625844538414, total energy = -14.968040071114165

Attempting to perform relaxation using initial lattice constant guess of a = [2.88280976] Angstroms and c = 5.413749913606763 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.968040
         Iterations: 80
         Function evaluations: 191
Results for this minimization:
  a = 2.5602281219781133, c = 5.748574737864974, total energy = -14.968040071114164

Attempting to perform relaxation using initial lattice constant guess of a = [2.88280976] Angstroms and c = 5.649130344633144 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.968040
         Iterations: 78
         Function evaluations: 181
Results for this minimization:
  a = 2.560228124575863, c = 5.704558888863263, total energy = -14.968040071114164