Element = Lattice = Model = Element: Al
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Al__MO_411898953661_003
Computed model cutoff of 7.800319999456409 Angstroms
Computed isolated atomic energy of 0.0 eV for species Al

==============================================================================
==============================================================================
 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: -10.807049
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.8713089866563717, total energy = -10.80704853896956

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: -10.807049
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8713089749217025, total energy = -10.807048538969573

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: -10.807049
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8713089597877115, total energy = -10.807048538969612

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: -10.807049
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.871308999572654, total energy = -10.807048538969536

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: -10.807049
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.871308948239315, total energy = -10.807048538969566

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: -10.807049
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8713089749217042, total energy = -10.807048538969573

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: -10.807049
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.87130897124298, total energy = -10.807048538969559

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: -10.807049
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8713089747470804, total energy = -10.807048538969589

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: -10.807049
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8713089734315904, total energy = -10.807048538969571

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: -10.807049
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.871308960020544, total energy = -10.807048538969555

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: -10.807049
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8713089732453225, total energy = -10.807048538969575

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: -10.807049
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8713089732453216, total energy = -10.807048538969573

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: -10.807049
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8713089597877115, total energy = -10.807048538969614

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: -10.807049
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.871308949077502, total energy = -10.807048538969568

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: -10.807049
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.871308974921703, total energy = -10.807048538969571

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: -10.807049
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8713089511729777, total energy = -10.807048538969571

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: -10.807049
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8713089749217033, total energy = -10.80704853896957

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: -10.807049
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.871308960020542, total energy = -10.80704853896956

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: -10.807049
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8713089749217025, total energy = -10.807048538969568

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: -10.807049
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.871308998391032, total energy = -10.807048538969555

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: -10.807049
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.8713090000906947, total energy = -10.807048538969553

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: -10.807049
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.871308962721376, total energy = -10.807048538969564

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: -10.807049
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8713089747470804, total energy = -10.807048538969577

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: -10.807049
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.871308951871466, total energy = -10.807048538969553

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: -10.807049
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8713089732453225, total energy = -10.807048538969573

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: -10.807049
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8713089718483404, total energy = -10.80704853896956

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: -10.807049
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.871308960119493, total energy = -10.807048538969557

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: -10.807049
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8713089364464395, total energy = -10.807048538969552

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: -10.807049
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.871308961510654, total energy = -10.807048538969577

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: -10.807049
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8713089731987558, total energy = -10.807048538969575

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: -10.807049
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8713089555501954, total energy = -10.807048538969555

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: -10.807049
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.87130897469469, total energy = -10.807048538969566

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: -10.807049
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8713089376688004, total energy = -10.80704853896955

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: -10.807049
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.871308950288217, total energy = -10.807048538969543

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: -10.807049
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.871308971324468, total energy = -10.807048538969557

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: -10.807049
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8713089655793755, total energy = -10.807048538969557

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: -10.807049
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8713089754339265, total energy = -10.807048538969562

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: -10.807049
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.871308966408833, total energy = -10.807048538969592

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: -10.807049
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.871308940462762, total energy = -10.80704853896956

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: -10.807049
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8713089287281024, total energy = -10.807048538969552

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: -10.807049
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.871308961510651, total energy = -10.80704853896957

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: -10.807049
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8713089603232183, total energy = -10.807048538969566

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: -10.807049
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.871308960020542, total energy = -10.807048538969557

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: -10.807049
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.87130893350113, total energy = -10.807048538969555

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: -10.807049
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8713089743163374, total energy = -10.807048538969564

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: -10.807049
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8713089614640848, total energy = -10.807048538969555

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: -10.807049
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.871308973245319, total energy = -10.807048538969578

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: -10.807049
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.871308974841668, total energy = -10.807048538969568

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: -10.807049
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.87130897156894, total energy = -10.807048538969555

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: -10.807049
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8713089944794707, total energy = -10.807048538969555

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: -10.807049
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.871308970486271, total energy = -10.807048538969573

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: -10.807049
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8713089757133234, total energy = -10.807048538969568

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: -10.807049
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8713089747470804, total energy = -10.807048538969564

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: -10.807049
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.8713089689612428, total energy = -10.807048538969564

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: -10.807049
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.871308953675893, total energy = -10.807048538969555

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: -10.807049
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8713089719356404, total energy = -10.80704853896958

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.87130896] Angstroms and c = 3.7510623175260993 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807086
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.869943095172759, c = 4.693266599387266, total energy = -10.807085847540346

Attempting to perform relaxation using initial lattice constant guess of a = [2.87130896] Angstroms and c = 3.9855037123714805 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807086
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.8699431169775043, c = 4.693266675136346, total energy = -10.807085847540359

Attempting to perform relaxation using initial lattice constant guess of a = [2.87130896] Angstroms and c = 4.219945107216862 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807086
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.8699431336244086, c = 4.6932666054781675, total energy = -10.807085847540359

Attempting to perform relaxation using initial lattice constant guess of a = [2.87130896] Angstroms and c = 4.454386502062243 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807086
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.869943116442867, c = 4.693266601246899, total energy = -10.807085847540353

Attempting to perform relaxation using initial lattice constant guess of a = [2.87130896] Angstroms and c = 4.688827896907624 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807086
         Iterations: 66
         Function evaluations: 137
Results for this minimization:
  a = 2.869943048267661, c = 4.693266747686607, total energy = -10.807085847540323

Attempting to perform relaxation using initial lattice constant guess of a = [2.87130896] Angstroms and c = 4.923269291753005 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807086
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.869943103860219, c = 4.693266631133125, total energy = -10.807085847540367

Attempting to perform relaxation using initial lattice constant guess of a = [2.87130896] Angstroms and c = 5.157710686598387 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807086
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.8699431025515505, c = 4.693266626881094, total energy = -10.807085847540355

Attempting to perform relaxation using initial lattice constant guess of a = [2.87130896] Angstroms and c = 5.392152081443768 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807086
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.869943098285413, c = 4.69326668993335, total energy = -10.807085847540353

Attempting to perform relaxation using initial lattice constant guess of a = [2.87130896] Angstroms and c = 5.626593476289148 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.807086
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.8699431035112037, c = 4.69326656468832, total energy = -10.807085847540355

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

 Final lattice Constants:
   a = 2.869943103860219 Angstroms, c = 4.693266631133125 Angstroms, c/a = 1.635317

 Total energy: -10.807085847540367 eV

 Cohesive energy: -2.701771461885092 eV/atom

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