Element = Lattice = Model = Element: Ne
Lattice: hcp
Model: Morse_Shifted_Glyde_1970_Ne__MO_169434419764_004
Computed model cutoff of 8.150000003483186 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ne

==============================================================================
==============================================================================
 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: -0.111646
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.0402159214019813, total energy = -0.11164607058325376

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: -0.111646
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.040215923124924, total energy = -0.11164607058325368

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: -0.111646
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.0402158943470567, total energy = -0.11164607058325363

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: -0.111646
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0402159202843975, total energy = -0.11164607058325371

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: -0.111646
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.040215924941007, total energy = -0.11164607058325376

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: -0.111646
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.0402159249410046, total energy = -0.11164607058325375

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: -0.111646
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.040215918677858, total energy = -0.11164607058325397

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: -0.111646
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.0402159383520484, total energy = -0.11164607058325403

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: -0.111646
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.0402159214019804, total energy = -0.11164607058325376

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: -0.111646
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.040215925872328, total energy = -0.11164607058325388

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: -0.111646
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.0402159256394965, total energy = -0.1116460705832536

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: -0.111646
         Iterations: 35
         Function evaluations: 79
Results for this minimization:
  a = 3.0402159258723236, total energy = -0.11164607058325385

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: -0.111646
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.04021592088975, total energy = -0.11164607058325382

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: -0.111646
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.0402159282937644, total energy = -0.11164607058325383

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: -0.111646
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0402159204124475, total energy = -0.11164607058325383

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: -0.111646
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.0402159177931027, total energy = -0.11164607058325393

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: -0.111646
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0402159309480346, total energy = -0.11164607058325374

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: -0.111646
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.0402158992365003, total energy = -0.11164607058325356

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: -0.111646
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.0402159225195646, total energy = -0.11164607058325372

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: -0.111646
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.0402159428223965, total energy = -0.11164607058325386

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: -0.111646
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.040215918677858, total energy = -0.11164607058325399

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: -0.111646
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.0402159259567254, total energy = -0.11164607058325392

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: -0.111646
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.0402159173972905, total energy = -0.11164607058325376

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.040215931460259, total energy = -0.11164607058325382

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.040215921401976, total energy = -0.11164607058325379

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.04021592726349, total energy = -0.1116460705832538

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.0402159258723245, total energy = -0.11164607058325385

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.040215934161097, total energy = -0.11164607058325376

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.0402159344404898, total energy = -0.11164607058325378

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.040215945272938, total energy = -0.11164607058325389

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 3.0402159258723263, total energy = -0.11164607058325386

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.040215937653554, total energy = -0.11164607058325379

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.0402158943470567, total energy = -0.11164607058325354

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.0402159269899083, total energy = -0.11164607058325414

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.0402159282937626, total energy = -0.11164607058325382

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.040215921276833, total energy = -0.11164607058325383

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.0402159362914944, total energy = -0.1116460705832539

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.040215933287982, total energy = -0.1116460705832538

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.0402159177930974, total energy = -0.11164607058325386

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.0402159281074987, total energy = -0.11164607058325399

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.040215924940996, total energy = -0.11164607058325356

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.040215924056243, total energy = -0.11164607058325383

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0402158992365003, total energy = -0.11164607058325357

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.0402159271587132, total energy = -0.11164607058325374

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.0402159223682186, total energy = -0.11164607058325385

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.040215928699756, total energy = -0.11164607058325386

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.040215942822393, total energy = -0.11164607058325375

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.0402159397490323, total energy = -0.11164607058325358

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.0402159217745046, total energy = -0.11164607058325368

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.040215918794268, total energy = -0.11164607058325358

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.0402159258723174, total energy = -0.11164607058325392

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.040215920656914, total energy = -0.11164607058325389

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.040215933637228, total energy = -0.1116460705832539

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.040215894766157, total energy = -0.11164607058325365

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0402159314602484, total energy = -0.11164607058325375

Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.040215911914121, total energy = -0.11164607058325349

Attempting to perform relaxation using initial lattice constant guess of a = 8.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.040215920656914, total energy = -0.11164607058325385

Attempting to perform relaxation using initial lattice constant guess of a = 8.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.040215922141215, total energy = -0.11164607058325382

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.0402159272634934, total energy = -0.1116460705832538

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.04021593] Angstroms and c = 3.9717214554708438 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 3.0404404182252627, c = 4.963919042108229, total energy = -0.11164609757762121

Attempting to perform relaxation using initial lattice constant guess of a = [3.04021593] Angstroms and c = 4.219954046437771 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 3.0404404081799274, c = 4.963918995169765, total energy = -0.11164609757762144

Attempting to perform relaxation using initial lattice constant guess of a = [3.04021593] Angstroms and c = 4.468186637404699 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 3.0404404133079543, c = 4.963918919747817, total energy = -0.11164609757762121

Attempting to perform relaxation using initial lattice constant guess of a = [3.04021593] Angstroms and c = 4.716419228371627 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 3.0404403987498654, c = 4.963918952297112, total energy = -0.11164609757762124

Attempting to perform relaxation using initial lattice constant guess of a = [3.04021593] Angstroms and c = 4.964651819338554 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 3.040440408765045, c = 4.963919005472081, total energy = -0.11164609757762149

Attempting to perform relaxation using initial lattice constant guess of a = [3.04021593] Angstroms and c = 5.212884410305482 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.040440380452056, c = 4.963918966847859, total energy = -0.11164609757762127

Attempting to perform relaxation using initial lattice constant guess of a = [3.04021593] Angstroms and c = 5.4611170012724095 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 3.0404404228722406, c = 4.963918961311283, total energy = -0.11164609757762123

Attempting to perform relaxation using initial lattice constant guess of a = [3.04021593] Angstroms and c = 5.709349592239337 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 3.0404403728717484, c = 4.963919019690154, total energy = -0.11164609757762128

Attempting to perform relaxation using initial lattice constant guess of a = [3.04021593] Angstroms and c = 5.957582183206265 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.111646
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 3.0404404068499855, c = 4.963918941352942, total energy = -0.1116460975776214

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

 Final lattice Constants:
   a = 3.040440408765045 Angstroms, c = 4.963919005472081 Angstroms, c/a = 1.632632

 Total energy: -0.11164609757762149 eV

 Cohesive energy: -0.027911524394405373 eV/atom

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