Element = Lattice = Model = Element: Xe
Lattice: hcp
Model: LJ_Shifted_Bernardes_1958LowCutoff_Xe__MO_648694198005_004
Computed model cutoff of 10.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Xe

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.0 Angstroms and c = 1.632993161855452 Angstroms; the model cutoff was estimated to be 10.79999999620023 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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: -0.616399
         Iterations: 45
         Function evaluations: 96
Results for this minimization:
  a = 4.359470228059215, total energy = -0.6163993510539877

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: -0.616399
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.359470202587545, total energy = -0.6163993510539875

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: -0.616399
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.359470236208303, total energy = -0.6163993510539868

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: -0.616399
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.3594702425180065, total energy = -0.6163993510539875

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: -0.616399
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.35947023746558, total energy = -0.6163993510539881

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: -0.616399
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.359470204263927, total energy = -0.6163993510539869

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: -0.616399
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 4.359470233088359, total energy = -0.6163993510539872

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: -0.616399
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.359470212552701, total energy = -0.6163993510539877

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: -0.616399
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.359470217954369, total energy = -0.6163993510539878

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: -0.616399
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 4.35947022680193, total energy = -0.6163993510539872

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: -0.616399
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.359470217674965, total energy = -0.616399351053988

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: -0.616399
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.3594701969996095, total energy = -0.6163993510539872

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: -0.616399
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.359470237838106, total energy = -0.6163993510539875

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: -0.616399
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.35947023313493, total energy = -0.6163993510539877

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: -0.616399
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.359470249712468, total energy = -0.6163993510539864

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: -0.616399
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.3594702378381065, total energy = -0.6163993510539872

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: -0.616399
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.359470228664577, total energy = -0.6163993510539878

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: -0.616399
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.359470237465578, total energy = -0.6163993510539875

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: -0.616399
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.3594702378293775, total energy = -0.6163993510539877

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: -0.616399
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.359470204263927, total energy = -0.6163993510539869

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: -0.616399
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.359470212011368, total energy = -0.6163993510539869

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: -0.616399
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 4.359470233088359, total energy = -0.6163993510539872

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: -0.616399
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 4.359470225579572, total energy = -0.6163993510539871

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: -0.616399
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 4.359470242261887, total energy = -0.6163993510539874

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: -0.616399
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.3594702357600905, total energy = -0.6163993510539877

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: -0.616399
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 4.359470207465348, total energy = -0.6163993510539866

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: -0.616399
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.359470227733254, total energy = -0.6163993510539878

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: -0.616399
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.359470228059215, total energy = -0.6163993510539876

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: -0.616399
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.359470197791232, total energy = -0.6163993510539869

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: -0.616399
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.3594702176749704, total energy = -0.6163993510539881

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: -0.616399
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.359470222785602, total energy = -0.6163993510539869

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: -0.616399
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.359470207011327, total energy = -0.6163993510539879

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: -0.616399
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.359470232296735, total energy = -0.6163993510539877

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: -0.616399
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.359470223169772, total energy = -0.6163993510539874

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: -0.616399
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.359470227733256, total energy = -0.6163993510539877

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: -0.616399
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.359470239281653, total energy = -0.6163993510539875

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: -0.616399
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.359470226670965, total energy = -0.6163993510539872

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: -0.616399
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.359470249712465, total energy = -0.6163993510539864

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: -0.616399
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.359470208123089, total energy = -0.6163993510539875

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: -0.616399
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 4.359470224077809, total energy = -0.6163993510539871

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: -0.616399
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 4.359470223821698, total energy = -0.6163993510539869

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: -0.616399
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.359470228664577, total energy = -0.616399351053988

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: -0.616399
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.359470243286339, total energy = -0.6163993510539868

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: -0.616399
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.359470239281652, total energy = -0.6163993510539877

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: -0.616399
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 4.359470228911956, total energy = -0.6163993510539879

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: -0.616399
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.359470237907952, total energy = -0.6163993510539868

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: -0.616399
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.359470232622698, total energy = -0.616399351053987

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: -0.616399
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.3594702277332535, total energy = -0.6163993510539878

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: -0.616399
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.359470207942644, total energy = -0.6163993510539877

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: -0.616399
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.359470211673756, total energy = -0.6163993510539867

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: -0.616399
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.3594702024944105, total energy = -0.6163993510539872

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: -0.616399
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.359470226627309, total energy = -0.6163993510539868

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: -0.616399
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.359470233134928, total energy = -0.6163993510539874

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: -0.616399
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.359470223775125, total energy = -0.6163993510539869

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: -0.616399
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 4.35947023686021, total energy = -0.6163993510539868

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: -0.616399
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 4.35947021245956, total energy = -0.6163993510539867

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: -0.616399
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.359470215975307, total energy = -0.616399351053987

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: -0.616399
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 4.359470219817016, total energy = -0.6163993510539875

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: -0.616399
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.3594702078960745, total energy = -0.6163993510539872

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: -0.616399
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.35947020845487, total energy = -0.6163993510539871

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: -0.616399
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.359470236659394, total energy = -0.6163993510539874

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: -0.616399
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.359470227733254, total energy = -0.6163993510539874

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: -0.616399
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.359470218015488, total energy = -0.6163993510539875

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: -0.616399
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 4.359470217791374, total energy = -0.6163993510539876

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: -0.616399
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 4.3594702302711, total energy = -0.616399351053987

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: -0.616399
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.35947021329775, total energy = -0.6163993510539871

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: -0.616399
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.359470217132184, total energy = -0.6163993510539875

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: -0.616399
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.359470217674974, total energy = -0.6163993510539877

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: -0.616399
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.3594702559290335, total energy = -0.6163993510539868

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: -0.616399
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.359470233341555, total energy = -0.6163993510539876

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: -0.616399
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 4.3594702360809565, total energy = -0.616399351053987

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: -0.616399
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.359470236115158, total energy = -0.6163993510539865

Attempting to perform relaxation using initial lattice constant guess of a = 10.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.616399
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.3594702152768185, total energy = -0.6163993510539868

Attempting to perform relaxation using initial lattice constant guess of a = 10.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.616399
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 4.35947019793092, total energy = -0.6163993510539868

Attempting to perform relaxation using initial lattice constant guess of a = 10.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.616399
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.359470206558754, total energy = -0.6163993510539867

Attempting to perform relaxation using initial lattice constant guess of a = 10.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.616399
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.359470232459712, total energy = -0.6163993510539871

Attempting to perform relaxation using initial lattice constant guess of a = 10.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.616399
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.359470217954367, total energy = -0.6163993510539874

Attempting to perform relaxation using initial lattice constant guess of a = 10.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.616399
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.35947022773326, total energy = -0.6163993510539878

Attempting to perform relaxation using initial lattice constant guess of a = 10.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.616399
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.359470216569012, total energy = -0.6163993510539868

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


Attempting to perform relaxation using initial lattice constant guess of a = [4.35947024] Angstroms and c = 5.695188069674924 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.616400
         Iterations: 76
         Function evaluations: 164
Results for this minimization:
  a = 4.358690459624964, c = 7.121533208878105, total energy = -0.6164001498026104

Attempting to perform relaxation using initial lattice constant guess of a = [4.35947024] Angstroms and c = 6.051137324029607 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.616400
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 4.358690461077517, c = 7.121533192043483, total energy = -0.6164001498026103

Attempting to perform relaxation using initial lattice constant guess of a = [4.35947024] Angstroms and c = 6.40708657838429 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.616400
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 4.358690441469495, c = 7.1215332110890746, total energy = -0.6164001498026098

Attempting to perform relaxation using initial lattice constant guess of a = [4.35947024] Angstroms and c = 6.763035832738973 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.616400
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 4.358690437155095, c = 7.121533280533157, total energy = -0.6164001498026095

Attempting to perform relaxation using initial lattice constant guess of a = [4.35947024] Angstroms and c = 7.118985087093656 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.616400
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 4.358690452928281, c = 7.1215332639200675, total energy = -0.6164001498026099

Attempting to perform relaxation using initial lattice constant guess of a = [4.35947024] Angstroms and c = 7.474934341448339 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.616400
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 4.358690438984556, c = 7.121533198560531, total energy = -0.61640014980261

Attempting to perform relaxation using initial lattice constant guess of a = [4.35947024] Angstroms and c = 7.830883595803022 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.616400
         Iterations: 74
         Function evaluations: 151
Results for this minimization:
  a = 4.358690458341073, c = 7.121533223223957, total energy = -0.6164001498026099

Attempting to perform relaxation using initial lattice constant guess of a = [4.35947024] Angstroms and c = 8.186832850157705 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.616400
         Iterations: 79
         Function evaluations: 164
Results for this minimization:
  a = 4.358690446252624, c = 7.121533240563046, total energy = -0.61640014980261

Attempting to perform relaxation using initial lattice constant guess of a = [4.35947024] Angstroms and c = 8.542782104512387 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.616400
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 4.358690455336843, c = 7.12153321913949, total energy = -0.6164001498026102

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

 Final lattice Constants:
   a = 4.358690459624964 Angstroms, c = 7.121533208878105 Angstroms, c/a = 1.633870

 Total energy: -0.6164001498026104 eV

 Cohesive energy: -0.1541000374506526 eV/atom

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