Element = Lattice = Model = Element: Zn
Lattice: hcp
Model: Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_002
Computed model cutoff of 3.0499999976158345 Angstroms
Computed isolated atomic energy of 0.0 eV for species Zn

==============================================================================
==============================================================================
 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: -5.319295
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.697914147283886, total energy = -5.319294697452196

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: -5.319295
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.697914157109335, total energy = -5.319294697452193

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: -5.319295
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.697914152406156, total energy = -5.319294697452195

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: -5.319295
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.697914147132548, total energy = -5.319294697452194

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: -5.319295
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.6979141483083393, total energy = -5.319294697452196

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: -5.319295
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6979141522198944, total energy = -5.319294697452197

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: -5.319295
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.6979141582734893, total energy = -5.319294697452194

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: -5.319295
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.697914148797281, total energy = -5.319294697452195

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: -5.319295
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6979141488671323, total energy = -5.319294697452197

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: -5.319295
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.6979141531512147, total energy = -5.319294697452195

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: -5.319295
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.6979141529183837, total energy = -5.319294697452195

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: -5.319295
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.697914153710007, total energy = -5.319294697452195

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: -5.319295
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.697914157062769, total energy = -5.319294697452194

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: -5.319295
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.697914158925414, total energy = -5.319294697452192

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: -5.319295
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.6979141541756686, total energy = -5.319294697452195

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: -5.319295
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.697914146870608, total energy = -5.319294697452195

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: -5.319295
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.697914150822907, total energy = -5.319294697452194

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: -5.319295
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.697914153104648, total energy = -5.319294697452198

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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 = [2.69791415] Angstroms and c = 3.524540290634347 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.7001861633297377, c = 4.398343191085116, total energy = -5.319496881409356

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 3.7448240587989936 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.7001861615807976, c = 4.3983432114842165, total energy = -5.3194968814093535

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 3.9651078269636404 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.7001861605876205, c = 4.3983431964769935, total energy = -5.319496881409354

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 4.185391595128287 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.700186160071678, c = 4.398343187820621, total energy = -5.319496881409354

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 4.405675363292934 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.7001861631638997, c = 4.39834318017682, total energy = -5.319496881409354

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 4.625959131457581 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.7001861635176656, c = 4.398343202059104, total energy = -5.319496881409355

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 4.8462428996222275 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.7001861625606205, c = 4.398343193305389, total energy = -5.319496881409354

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 5.066526667786874 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.319497
         Iterations: 84
         Function evaluations: 167
Results for this minimization:
  a = 2.700186156274646, c = 4.398343193957038, total energy = -5.3194968814093535

Attempting to perform relaxation using initial lattice constant guess of a = [2.69791415] Angstroms and c = 5.286810435951521 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.557789
         Iterations: 88
         Function evaluations: 203
Results for this minimization:
  a = 2.6021227401878866, c = 5.596877302890325, total energy = -4.557789071543564

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

 Final lattice Constants:
   a = 2.7001861633297377 Angstroms, c = 4.398343191085116 Angstroms, c/a = 1.628904

 Total energy: -5.319496881409356 eV

 Cohesive energy: -1.329874220352339 eV/atom

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