Element = Lattice = Model = Element: Kr
Lattice: hcp
Model: LJ_Shifted_Bernardes_1958LowCutoff_Kr__MO_995724792024_003
Computed model cutoff of 9.91000000059605 Angstroms
Computed isolated atomic energy of 0.0 eV for species Kr

==============================================================================
==============================================================================
 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: -0.431559
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.9980066269636216, total energy = -0.43155904185467303

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: -0.431559
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.9980066072428584, total energy = -0.43155904185467303

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: -0.431559
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 3.9980066251009703, total energy = -0.4315590418546727

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: -0.431559
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 3.9980065790237957, total energy = -0.43155904185467253

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: -0.431559
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.998006628826267, total energy = -0.4315590418546724

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: -0.431559
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.9980066203046616, total energy = -0.43155904185467325

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: -0.431559
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.9980066175805407, total energy = -0.43155904185467336

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: -0.431559
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.9980066400021315, total energy = -0.4315590418546726

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: -0.431559
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.9980066273361485, total energy = -0.4315590418546726

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: -0.431559
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.9980066070333145, total energy = -0.43155904185467325

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: -0.431559
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.9980066008516597, total energy = -0.4315590418546736

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: -0.431559
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.9980065983254427, total energy = -0.43155904185467275

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: -0.431559
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.9980065944837406, total energy = -0.43155904185467275

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: -0.431559
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.9980065735755512, total energy = -0.43155904185467237

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: -0.431559
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.9980065790237904, total energy = -0.43155904185467203

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: -0.431559
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.9980066067539157, total energy = -0.43155904185467325

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: -0.431559
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.99800662994385, total energy = -0.43155904185467237

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: -0.431559
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.9980066218413413, total energy = -0.43155904185467264

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: -0.431559
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.998006622120739, total energy = -0.43155904185467303

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: -0.431559
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.998006608395373, total energy = -0.4315590418546735

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: -0.431559
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.998006615624764, total energy = -0.43155904185467264

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: -0.431559
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.9980066132266083, total energy = -0.4315590418546732

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: -0.431559
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.998006614856422, total energy = -0.4315590418546728

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: -0.431559
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.9980066067539153, total energy = -0.4315590418546731

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: -0.431559
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.9980066291987892, total energy = -0.431559041854673

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: -0.431559
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.998006593622267, total energy = -0.431559041854673

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: -0.431559
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.998006607033312, total energy = -0.431559041854673

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: -0.431559
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.9980066092684865, total energy = -0.43155904185467253

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: -0.431559
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.998006607085698, total energy = -0.4315590418546734

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: -0.431559
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.9980066267773515, total energy = -0.4315590418546735

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: -0.431559
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.9980065806303173, total energy = -0.43155904185467275

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: -0.431559
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.9980066221207373, total energy = -0.4315590418546731

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: -0.431559
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.9980066251009703, total energy = -0.431559041854673

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: -0.431559
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.9980066043441163, total energy = -0.4315590418546734

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: -0.431559
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.998006581887602, total energy = -0.43155904185467187

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: -0.431559
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.998006624076517, total energy = -0.4315590418546734

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: -0.431559
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.9980065879877635, total energy = -0.43155904185467237

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: -0.431559
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.998006611735036, total energy = -0.4315590418546723

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: -0.431559
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.998006604344115, total energy = -0.43155904185467314

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: -0.431559
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.9980066116899238, total energy = -0.43155904185467353

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: -0.431559
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.998006629943843, total energy = -0.43155904185467264

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: -0.431559
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.998006591992451, total energy = -0.4315590418546725

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: -0.431559
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.9980066218413413, total energy = -0.43155904185467264

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: -0.431559
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.998006607033311, total energy = -0.431559041854673

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: -0.431559
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.998006607894781, total energy = -0.4315590418546724

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: -0.431559
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.9980066132382435, total energy = -0.4315590418546733

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: -0.431559
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.9980066083953685, total energy = -0.4315590418546732

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: -0.431559
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.9980066005373374, total energy = -0.431559041854673

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: -0.431559
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.998006615624762, total energy = -0.43155904185467264

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: -0.431559
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.9980066187854337, total energy = -0.4315590418546731

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: -0.431559
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.9980066145770192, total energy = -0.4315590418546729

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: -0.431559
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.998006617344796, total energy = -0.4315590418546734

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: -0.431559
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.9980066103162244, total energy = -0.4315590418546732

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: -0.431559
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.9980066232325067, total energy = -0.4315590418546729

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: -0.431559
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.9980066067539046, total energy = -0.4315590418546731

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: -0.431559
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.9980065932555515, total energy = -0.4315590418546728

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: -0.431559
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.998006629943844, total energy = -0.43155904185467253

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: -0.431559
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.998006609559525, total energy = -0.4315590418546735

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: -0.431559
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.998006593622271, total energy = -0.4315590418546733

Attempting to perform relaxation using initial lattice constant guess of a = 8.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.9980066112708195, total energy = -0.431559041854673

Attempting to perform relaxation using initial lattice constant guess of a = 8.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.9980065983254387, total energy = -0.4315590418546733

Attempting to perform relaxation using initial lattice constant guess of a = 8.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.9980065871743102, total energy = -0.4315590418546724

Attempting to perform relaxation using initial lattice constant guess of a = 8.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.9980066092684865, total energy = -0.4315590418546725

Attempting to perform relaxation using initial lattice constant guess of a = 8.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.998006630362946, total energy = -0.4315590418546731

Attempting to perform relaxation using initial lattice constant guess of a = 9.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.998006587754923, total energy = -0.43155904185467225

Attempting to perform relaxation using initial lattice constant guess of a = 9.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.9980066046118656, total energy = -0.4315590418546731

Attempting to perform relaxation using initial lattice constant guess of a = 9.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.998006626777348, total energy = -0.4315590418546728

Attempting to perform relaxation using initial lattice constant guess of a = 9.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.998006621732202, total energy = -0.43155904185467275

Attempting to perform relaxation using initial lattice constant guess of a = 9.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.9980066134769037, total energy = -0.4315590418546728

Attempting to perform relaxation using initial lattice constant guess of a = 9.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.998006593622254, total energy = -0.43155904185467264

Attempting to perform relaxation using initial lattice constant guess of a = 9.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.99800662257475, total energy = -0.4315590418546729

Attempting to perform relaxation using initial lattice constant guess of a = 9.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.998006598115894, total energy = -0.4315590418546728

Attempting to perform relaxation using initial lattice constant guess of a = 10.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.431559
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.998006584122777, total energy = -0.43155904185467187

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.9980066] Angstroms and c = 5.222973952194977 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.431560
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 3.997291472063315, c = 6.531054394227134, total energy = -0.4315596009787088

Attempting to perform relaxation using initial lattice constant guess of a = [3.9980066] Angstroms and c = 5.549409824207163 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.431560
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 3.997291499928574, c = 6.5310543406337604, total energy = -0.43155960097870927

Attempting to perform relaxation using initial lattice constant guess of a = [3.9980066] Angstroms and c = 5.875845696219349 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.431560
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.997291506125345, c = 6.531054310133799, total energy = -0.4315596009787088

Attempting to perform relaxation using initial lattice constant guess of a = [3.9980066] Angstroms and c = 6.202281568231535 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.431560
         Iterations: 64
         Function evaluations: 138
Results for this minimization:
  a = 3.9972914971895284, c = 6.531054322767939, total energy = -0.43155960097870877

Attempting to perform relaxation using initial lattice constant guess of a = [3.9980066] Angstroms and c = 6.528717440243721 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.431560
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 3.9972915040696986, c = 6.531054330574638, total energy = -0.4315596009787089

Attempting to perform relaxation using initial lattice constant guess of a = [3.9980066] Angstroms and c = 6.855153312255907 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.431560
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.9972915015438844, c = 6.531054338208935, total energy = -0.43155960097870977

Attempting to perform relaxation using initial lattice constant guess of a = [3.9980066] Angstroms and c = 7.181589184268093 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.431560
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 3.9972914867597433, c = 6.531054415847967, total energy = -0.43155960097870877

Attempting to perform relaxation using initial lattice constant guess of a = [3.9980066] Angstroms and c = 7.508025056280279 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.431560
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 3.9972914823465366, c = 6.531054317709072, total energy = -0.4315596009787092

Attempting to perform relaxation using initial lattice constant guess of a = [3.9980066] Angstroms and c = 7.834460928292465 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.431560
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 3.9972915039296417, c = 6.531054338053867, total energy = -0.43155960097870893

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

 Final lattice Constants:
   a = 3.9972915015438844 Angstroms, c = 6.531054338208935 Angstroms, c/a = 1.633870

 Total energy: -0.43155960097870977 eV

 Cohesive energy: -0.10788990024467744 eV/atom

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