Element = Lattice = Model = Element: Ar
Lattice: hcp
Model: Morse_Shifted_Jelinek_1972_Ar__MO_831902330215_003
Computed model cutoff of 8.150000003427305 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: -0.371476
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.714213085174566, total energy = -0.3714760418237702

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: -0.371476
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7142130481603073, total energy = -0.37147604182377086

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: -0.371476
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.71421305462718, total energy = -0.3714760418237712

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: -0.371476
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.714213052392016, total energy = -0.3714760418237712

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: -0.371476
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7142130643129403, total energy = -0.3714760418237711

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: -0.371476
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7142130628228216, total energy = -0.3714760418237711

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: -0.371476
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.714213034510613, total energy = -0.37147604182377025

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: -0.371476
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7142130648717284, total energy = -0.3714760418237707

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: -0.371476
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.714213084802035, total energy = -0.3714760418237702

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: -0.371476
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.714213060867043, total energy = -0.3714760418237708

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: -0.371476
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7142130464315413, total energy = -0.3714760418237707

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: -0.371476
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.7142130541615157, total energy = -0.3714760418237711

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: -0.371476
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.714213054161519, total energy = -0.37147604182377114

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: -0.371476
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.7142130543943512, total energy = -0.37147604182377075

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: -0.371476
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.71421304419637, total energy = -0.3714760418237709

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: -0.371476
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.7142130525782706, total energy = -0.3714760418237708

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: -0.371476
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.7142130643129367, total energy = -0.3714760418237709

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: -0.371476
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.71421305462718, total energy = -0.3714760418237711

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: -0.371476
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.714213062747149, total energy = -0.37147604182377086

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: -0.371476
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.7142130464315417, total energy = -0.3714760418237707

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: -0.371476
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.7142130605876447, total energy = -0.3714760418237709

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: -0.371476
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.7142130464315413, total energy = -0.3714760418237707

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: -0.371476
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.714213060680777, total energy = -0.37147604182377103

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: -0.371476
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.714213082849165, total energy = -0.3714760418237704

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: -0.371476
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.714213062729686, total energy = -0.3714760418237711

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: -0.371476
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.714213044196368, total energy = -0.37147604182377064

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: -0.371476
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.7142130608670403, total energy = -0.37147604182377086

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: -0.371476
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.7142130543943495, total energy = -0.371476041823771

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: -0.371476
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.7142130464315386, total energy = -0.37147604182377075

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: -0.371476
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.714213071565609, total energy = -0.3714760418237707

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: -0.371476
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.71421305416152, total energy = -0.3714760418237712

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: -0.371476
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.714213044056666, total energy = -0.37147604182377075

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: -0.371476
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.714213054161519, total energy = -0.3714760418237711

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: -0.371476
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.7142130523454373, total energy = -0.37147604182377086

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: -0.371476
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7142130788415666, total energy = -0.3714760418237705

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: -0.371476
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.714213053887944, total energy = -0.37147604182377064

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: -0.371476
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.714213062636551, total energy = -0.37147604182377103

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: -0.371476
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.714213060680777, total energy = -0.37147604182377086

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: -0.371476
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.7142130525782666, total energy = -0.371476041823771

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: -0.371476
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.7142130651860485, total energy = -0.37147604182377086

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: -0.371476
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7142130643129296, total energy = -0.37147604182377064

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: -0.371476
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.7142130625434184, total energy = -0.37147604182377125

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: -0.371476
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.71421305462718, total energy = -0.3714760418237711

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: -0.371476
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7142130773921944, total energy = -0.371476041823771

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: -0.371476
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.714213060401376, total energy = -0.3714760418237713

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: -0.371476
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.7142130604479395, total energy = -0.37147604182377103

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: -0.371476
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.714213046588699, total energy = -0.37147604182377086

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: -0.371476
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.7142130463253125, total energy = -0.3714760418237707

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: -0.371476
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.714213052764533, total energy = -0.3714760418237709

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: -0.371476
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7142130425767346, total energy = -0.3714760418237707

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: -0.371476
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.714213046431534, total energy = -0.3714760418237706

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: -0.371476
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.714213062636551, total energy = -0.371476041823771

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: -0.371476
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7142130648717284, total energy = -0.37147604182377053

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: -0.371476
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.7142130505992137, total energy = -0.3714760418237708

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: -0.371476
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.714213042519976, total energy = -0.3714760418237707

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: -0.371476
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7142130806139826, total energy = -0.3714760418237707

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: -0.371476
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.714213052392002, total energy = -0.3714760418237711

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: -0.371476
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.7142130464781076, total energy = -0.3714760418237709

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: -0.371476
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7142130564898297, total energy = -0.3714760418237705

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.71421306] Angstroms and c = 4.852227623447726 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.371477
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 3.7149555451091807, c = 6.06285892548655, total energy = -0.37147658435508496

Attempting to perform relaxation using initial lattice constant guess of a = [3.71421306] Angstroms and c = 5.15549184991321 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.371477
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 3.714955519697364, c = 6.062858905024545, total energy = -0.3714765843550855

Attempting to perform relaxation using initial lattice constant guess of a = [3.71421306] Angstroms and c = 5.458756076378693 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.371477
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 3.7149555357360224, c = 6.062858944815168, total energy = -0.37147658435508524

Attempting to perform relaxation using initial lattice constant guess of a = [3.71421306] Angstroms and c = 5.762020302844176 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.371477
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 3.714955490658751, c = 6.0628589296548805, total energy = -0.37147658435508507

Attempting to perform relaxation using initial lattice constant guess of a = [3.71421306] Angstroms and c = 6.065284529309659 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.371477
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 3.71495554758294, c = 6.062858907335455, total energy = -0.37147658435508507

Attempting to perform relaxation using initial lattice constant guess of a = [3.71421306] Angstroms and c = 6.368548755775143 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.371477
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 3.714955529743408, c = 6.062858913463388, total energy = -0.3714765843550853

Attempting to perform relaxation using initial lattice constant guess of a = [3.71421306] Angstroms and c = 6.671812982240626 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.371477
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 3.7149555143859656, c = 6.062858902951227, total energy = -0.37147658435508507

Attempting to perform relaxation using initial lattice constant guess of a = [3.71421306] Angstroms and c = 6.975077208706109 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.371477
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 3.7149555282310347, c = 6.062858931314247, total energy = -0.37147658435508535

Attempting to perform relaxation using initial lattice constant guess of a = [3.71421306] Angstroms and c = 7.278341435171592 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.371477
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 3.7149555168119863, c = 6.062858889572294, total energy = -0.3714765843550851

Attempting to perform relaxation using initial lattice constant guess of a = [3.71421306] Angstroms and c = 7.5816056616370755 = ([2.04124145] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.371477
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.714955514421055, c = 6.06285897494427, total energy = -0.3714765843550851

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

 Final lattice Constants:
   a = 3.714955519697364 Angstroms, c = 6.062858905024545 Angstroms, c/a = 1.632014

 Total energy: -0.3714765843550855 eV

 Cohesive energy: -0.09286914608877138 eV/atom

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