Element = Lattice = Model = Element: Si
Lattice: hcp
Model: ThreeBodyCluster_Gong_Gong_1993_Si__MO_407755720412_000
Computed model cutoff of 3.71714843690396 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: -26.469629
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.751338249817495, total energy = -26.469628626195213

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: -26.469629
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7513382588047532, total energy = -26.469628626195167

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: -26.469629
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7513382580364123, total energy = -26.469628626195146

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: -26.469629
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.751338247396058, total energy = -26.469628626195167

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: -26.469629
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.7513382518198375, total energy = -26.469628626195167

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: -26.469629
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7513382542412743, total energy = -26.469628626195153

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: -26.469629
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7513382762670524, total energy = -26.469628626195124

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: -26.469629
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.751338261179626, total energy = -26.469628626195142

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: -26.469629
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7513382493518312, total energy = -26.469628626195167

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: -26.469629
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.751338276267053, total energy = -26.469628626195124

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: -26.469629
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.751338251680137, total energy = -26.46962862619515

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: -26.469629
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7513382535427797, total energy = -26.46962862619515

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: -26.469629
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7513382437173277, total energy = -26.469628626195167

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: -26.469629
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7513382620876654, total energy = -26.469628626195153

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: -26.469629
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.751338266476523, total energy = -26.469628626195146

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: -26.469629
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.7513382664765227, total energy = -26.469628626195153

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: -26.469629
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7513382527977224, total energy = -26.469628626195114

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: -26.469629
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.7513382561301114, total energy = -26.469628626195135

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: -26.469629
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.7513382542412717, total energy = -26.46962862619513

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: -26.469629
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7513382404169535, total energy = -26.469628626195117

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: -26.469629
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7513382615987196, total energy = -26.46962862619514

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: -26.469629
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7513382591307156, total energy = -26.469628626195163

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: -26.469629
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7513382552424446, total energy = -26.46962862619516

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.75133825] Angstroms and c = 3.594333238322654 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.586954
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 2.788106909745423, c = 4.358895536585984, total energy = -26.58695437920749

Attempting to perform relaxation using initial lattice constant guess of a = [2.75133825] Angstroms and c = 3.8189790657178198 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.586954
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.7881069171864645, c = 4.358895578881194, total energy = -26.58695437920747

Attempting to perform relaxation using initial lattice constant guess of a = [2.75133825] Angstroms and c = 4.043624893112986 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.586954
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.788106901542278, c = 4.358895628484514, total energy = -26.58695437920746

Attempting to perform relaxation using initial lattice constant guess of a = [2.75133825] Angstroms and c = 4.268270720508152 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.586954
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.7881069199395534, c = 4.358895541328208, total energy = -26.586954379207477

Attempting to perform relaxation using initial lattice constant guess of a = [2.75133825] Angstroms and c = 4.4929165479033175 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.586954
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.788106895243958, c = 4.358895525511523, total energy = -26.58695437920749

Attempting to perform relaxation using initial lattice constant guess of a = [2.75133825] Angstroms and c = 4.717562375298483 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.586954
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.7881069180549884, c = 4.358895579151688, total energy = -26.58695437920748

Attempting to perform relaxation using initial lattice constant guess of a = [2.75133825] Angstroms and c = 4.942208202693649 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.586954
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.788106910425461, c = 4.358895530025349, total energy = -26.58695437920748

Attempting to perform relaxation using initial lattice constant guess of a = [2.75133825] Angstroms and c = 5.166854030088816 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.586954
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.788106898863865, c = 4.3588955960215605, total energy = -26.58695437920749

Attempting to perform relaxation using initial lattice constant guess of a = [2.75133825] Angstroms and c = 5.391499857483981 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.586954
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.7881069139710872, c = 4.358895538071596, total energy = -26.586954379207494

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

 Final lattice Constants:
   a = 2.7881069139710872 Angstroms, c = 4.358895538071596 Angstroms, c/a = 1.563389

 Total energy: -26.586954379207494 eV

 Cohesive energy: -6.646738594801874 eV/atom

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