Element = Lattice = Model = Element: Ar
Lattice: hcp
Model: Morse_SigmoidalSmoothed_Jelinek_1972_Ar__MO_071460865933_002
Computed model cutoff of 8.150000000298064 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ar

==============================================================================
==============================================================================
 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: -0.000227
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.720129576697952, total energy = -0.00022707560904747348

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: -0.000227
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.720129597187042, total energy = -0.0002270756090474736

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: -0.000227
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.72012959420681, total energy = -0.0002270756090474735

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: -0.000227
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.7201295995735677, total energy = -0.00022707560904747346

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: -0.000227
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7201295787468607, total energy = -0.0002270756090474736

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: -0.000227
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.720129596441988, total energy = -0.00022707560904747356

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: -0.000227
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.7201295740902425, total energy = -0.00022707560904747343

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: -0.000227
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.720129602967063, total energy = -0.0002270756090474735

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: -0.000227
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.7201295938342853, total energy = -0.00022707560904747354

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: -0.000227
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.7201296030543753, total energy = -0.00022707560904747346

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: -0.000227
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7201295921579014, total energy = -0.00022707560904747364

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: -0.000227
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.720129609853026, total energy = -0.0002270756090474732

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: -0.000227
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.72012959420681, total energy = -0.00022707560904747337

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: -0.000227
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.7201295724604293, total energy = -0.00022707560904747354

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: -0.000227
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.7201295740902465, total energy = -0.00022707560904747346

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: -0.000227
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.7201295994222163, total energy = -0.00022707560904747335

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: -0.000227
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.7201295994222185, total energy = -0.0002270756090474734

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: -0.000227
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.7201295839622617, total energy = -0.00022707560904747354

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: -0.000227
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.720129596441985, total energy = -0.0002270756090474734

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: -0.000227
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.7201296138198816, total energy = -0.00022707560904747346

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: -0.000227
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.7201295741717333, total energy = -0.00022707560904747346

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: -0.000227
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.7201296046376235, total energy = -0.00022707560904747348

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: -0.000227
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.720129602967063, total energy = -0.00022707560904747362

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: -0.000227
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.720129590947181, total energy = -0.0002270756090474735

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: -0.000227
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.720129596814513, total energy = -0.00022707560904747354

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: -0.000227
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.720129565894604, total energy = -0.0002270756090474732

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: -0.000227
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.7201296030543727, total energy = -0.00022707560904747337

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: -0.000227
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.7201295654522255, total energy = -0.00022707560904747346

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: -0.000227
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.7201295921578996, total energy = -0.00022707560904747364

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: -0.000227
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 3.720129590202122, total energy = -0.00022707560904747354

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: -0.000227
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.7201296063140044, total energy = -0.0002270756090474733

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: -0.000227
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.7201295843347895, total energy = -0.00022707560904747378

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: -0.000227
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.72012959420681, total energy = -0.00022707560904747335

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: -0.000227
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.7201295796054152, total energy = -0.0002270756090474734

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: -0.000227
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.7201295774721057, total energy = -0.0002270756090474734

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: -0.000227
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.720129593834282, total energy = -0.00022707560904747346

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: -0.000227
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.7201295761391497, total energy = -0.00022707560904747346

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: -0.000227
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.7201296030543745, total energy = -0.00022707560904747354

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: -0.000227
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7201295994222123, total energy = -0.00022707560904747318

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: -0.000227
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7201295791193836, total energy = -0.0002270756090474734

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: -0.000227
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7201295971870367, total energy = -0.0002270756090474737

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: -0.000227
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7201295741615437, total energy = -0.0002270756090474737

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: -0.000227
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.7201295886188745, total energy = -0.0002270756090474736

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: -0.000227
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.720129580789943, total energy = -0.00022707560904747354

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: -0.000227
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.720129592204463, total energy = -0.00022707560904747356

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: -0.000227
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7201295880484326, total energy = -0.00022707560904747367

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: -0.000227
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.720129583566446, total energy = -0.00022707560904747354

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: -0.000227
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.720129602967063, total energy = -0.00022707560904747356

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: -0.000227
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7201295766979436, total energy = -0.0002270756090474734

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: -0.000227
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.7201295921578956, total energy = -0.0002270756090474735

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: -0.000227
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.7201295951846927, total energy = -0.00022707560904747354

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: -0.000227
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.720129575487223, total energy = -0.00022707560904747354

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: -0.000227
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7201295807026327, total energy = -0.00022707560904747356

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: -0.000227
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7201295815175435, total energy = -0.0002270756090474736

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: -0.000227
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.72012959094717, total energy = -0.0002270756090474736

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: -0.000227
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.720129559625631, total energy = -0.0002270756090474731

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: -0.000227
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.7201295942068064, total energy = -0.00022707560904747356

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: -0.000227
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.720129592809826, total energy = -0.00022707560904747332

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: -0.000227
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7201295658946076, total energy = -0.0002270756090474731

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.72012958] Angstroms and c = 4.859956937947902 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.000227
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 3.721067373424485, c = 6.071881871545266, total energy = -0.00022707608874305454

Attempting to perform relaxation using initial lattice constant guess of a = [3.72012958] Angstroms and c = 5.163704246569646 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.000227
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 3.7210673638911587, c = 6.071881908305537, total energy = -0.0002270760887430547

Attempting to perform relaxation using initial lattice constant guess of a = [3.72012958] Angstroms and c = 5.467451555191389 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.000227
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 3.7210673861391514, c = 6.071881856001928, total energy = -0.0002270760887430545

Attempting to perform relaxation using initial lattice constant guess of a = [3.72012958] Angstroms and c = 5.771198863813133 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.000227
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 3.721067384779049, c = 6.071881927384759, total energy = -0.00022707608874305454

Attempting to perform relaxation using initial lattice constant guess of a = [3.72012958] Angstroms and c = 6.074946172434877 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.000227
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 3.7210673692622787, c = 6.071881921248272, total energy = -0.00022707608874305462

Attempting to perform relaxation using initial lattice constant guess of a = [3.72012958] Angstroms and c = 6.3786934810566205 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.000227
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 3.721067364689418, c = 6.071881952366613, total energy = -0.00022707608874305456

Attempting to perform relaxation using initial lattice constant guess of a = [3.72012958] Angstroms and c = 6.682440789678364 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.000227
         Iterations: 80
         Function evaluations: 163
Results for this minimization:
  a = 3.7210673492751027, c = 6.071881902302149, total energy = -0.0002270760887430545

Attempting to perform relaxation using initial lattice constant guess of a = [3.72012958] Angstroms and c = 6.986188098300108 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.000227
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 3.721067372639579, c = 6.071881905385821, total energy = -0.00022707608874305456

Attempting to perform relaxation using initial lattice constant guess of a = [3.72012958] Angstroms and c = 7.289935406921852 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.000227
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 3.7210673454755687, c = 6.07188195282917, total energy = -0.00022707608874305454

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

 Final lattice Constants:
   a = 3.7210673638911587 Angstroms, c = 6.071881908305537 Angstroms, c/a = 1.631758

 Total energy: -0.0002270760887430547 eV

 Cohesive energy: -5.6769022185763675e-05 eV/atom

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