Element = Lattice = Model = Element: Na
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 11.831099994778638 Angstroms
Computed isolated atomic energy of 0.0 eV for species Na

==============================================================================
==============================================================================
 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 11.831099994778638 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.125 Angstroms and c = 1.8371173070873836 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -24.539722
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2289270870387554, total energy = -24.539722410027984

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: -24.539722
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.228927126526841, total energy = -24.53972241002802

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: -24.539722
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.228927072789525, total energy = -24.539722410027956

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: -24.539722
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2289270520210294, total energy = -24.53972241002785

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: -24.539722
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.228927092254162, total energy = -24.53972241002801

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: -24.539722
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2289270643377677, total energy = -24.53972241002802

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: -24.539722
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.2289270818233535, total energy = -24.539722410027974

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: -24.539722
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.22892708545551, total energy = -24.539722410028006

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: -24.539722
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2289270642155325, total energy = -24.539722410028038

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: -24.539722
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.228927079215644, total energy = -24.539722410028137

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: -24.539722
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.2289270870387554, total energy = -24.53972241002797

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: -24.539722
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.2289270792156466, total energy = -24.539722410028116

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: -24.539722
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.228927126526835, total energy = -24.539722410028002

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: -24.539722
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.2289270888199098, total energy = -24.539722410027963

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: -24.539722
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.2289270727895216, total energy = -24.539722410027938

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: -24.539722
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.228927096351981, total energy = -24.539722410028034

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: -24.539722
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.2289270520210267, total energy = -24.539722410027906

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: -24.539722
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.2289271008339715, total energy = -24.539722410028112

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: -24.539722
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.2289270938839767, total energy = -24.53972241002803

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: -24.539722
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.22892709171283, total energy = -24.539722410028034

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: -24.539722
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2289270643377677, total energy = -24.539722410028016

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: -24.539722
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2289270975161326, total energy = -24.53972241002804

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: -24.539722
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.228927083127201, total energy = -24.539722410027984

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: -24.539722
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2289270829875036, total energy = -24.539722410027995

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: -24.539722
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.2289270854555063, total energy = -24.53972241002803

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: -24.539722
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2289270935580134, total energy = -24.539722410028

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: -24.539722
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.22892706421553, total energy = -24.539722410028023

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: -24.539722
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.228927099116844, total energy = -24.53972241002792

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: -24.539722
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2289270792156475, total energy = -24.539722410028094

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: -24.539722
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.228927114751421, total energy = -24.539722410027945

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: -24.539722
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.2289270870387554, total energy = -24.539722410027974

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: -24.539722
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.228927070181814, total energy = -24.5397224100279

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: -24.539722
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.228927079215644, total energy = -24.539722410028137

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: -24.539722
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.228927092254163, total energy = -24.539722410028006

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: -24.539722
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2289271265268296, total energy = -24.539722410028

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: -24.539722
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.22892708145082, total energy = -24.539722410027935

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: -24.539722
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.228927090158681, total energy = -24.53972241002796

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: -24.539722
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.22892708473373, total energy = -24.53972241002795

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: -24.539722
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2289270942332156, total energy = -24.53972241002813

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: -24.539722
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.228927107900378, total energy = -24.539722410027917

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: -24.539722
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.228927096351981, total energy = -24.539722410028027

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: -24.539722
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.2289270876324716, total energy = -24.539722410028038

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: -24.539722
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.2289270520210214, total energy = -24.539722410027903

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: -24.539722
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.228927115118124, total energy = -24.53972241002802

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: -24.539722
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.228927099576682, total energy = -24.539722410027967

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: -24.539722
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.2289270827313885, total energy = -24.539722410027967

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: -24.539722
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2289270922541604, total energy = -24.539722410028006

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: -24.539722
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 3.22892707921564, total energy = -24.539722410028137

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: -24.539722
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.2289270864799544, total energy = -24.539722410028016

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: -24.539722
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.2289270803739742, total energy = -24.539722410027938

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: -24.539722
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.2289270538603887, total energy = -24.539722410027945

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: -24.539722
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.228927073010714, total energy = -24.53972241002797

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: -24.539722
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.2289270749606533, total energy = -24.539722410028006

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: -24.539722
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.2289270831271923, total energy = -24.539722410028027

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: -24.539722
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.228927083685991, total energy = -24.539722410027967

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: -24.539722
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.2289270786568522, total energy = -24.53972241002787

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: -24.539722
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.228927082987507, total energy = -24.539722410028002

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: -24.539722
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.228927099367124, total energy = -24.539722410027956

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: -24.539722
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.2289270854554992, total energy = -24.539722410028055

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: -24.539722
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.228927089221538, total energy = -24.53972241002805

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: -24.539722
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.2289270935580134, total energy = -24.539722410027977

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: -24.539722
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.228927091415976, total energy = -24.539722410028027

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: -24.539722
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.2289270864799486, total energy = -24.539722410028048

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: -24.539722
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.228927088677292, total energy = -24.539722410028077

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: -24.539722
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.2289270991168406, total energy = -24.539722410027963

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: -24.539722
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.2289270852925256, total energy = -24.539722410028023

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: -24.539722
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.228927079215651, total energy = -24.53972241002807

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: -24.539722
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.2289271039888123, total energy = -24.539722410028002

Attempting to perform relaxation using initial lattice constant guess of a = 9.75 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 = 9.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9750000000000156 Angstroms and c = -1.5921683328090912 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 9.875 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 = 9.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9875000000000078 Angstroms and c = -1.6125807473322717 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 10.0 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 = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 10.125 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 = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 10.25 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 = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 10.375 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 = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 10.5 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 = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 10.625 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 = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 10.75 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 = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 10.875 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 = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 11.0 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 = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 11.125 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 = 11.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1125000000000078 Angstroms and c = -1.816704892564203 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 11.25 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 = 11.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.125 Angstroms and c = -1.8371173070873836 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 11.375 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 = 11.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1374999999999922 Angstroms and c = -1.857529721610564 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 11.5 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 = 11.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1500000000000234 Angstroms and c = -1.8779421361338082 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 11.625 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 = 11.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1625000000000156 Angstroms and c = -1.8983545506569885 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 11.75 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 = 11.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1750000000000078 Angstroms and c = -1.9187669651801689 Angstroms; the model cutoff was estimated to be 11.831099994778638 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 = 11.875 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 = 11.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1875 Angstroms and c = -1.9391793797033494 Angstroms; the model cutoff was estimated to be 11.831099994778638 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...


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


Attempting to perform relaxation using initial lattice constant guess of a = [3.22892708] Angstroms and c = 4.218252672391236 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.539722
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 3.228905593829764, c = 5.2728860568371845, total energy = -24.539722452301742

Attempting to perform relaxation using initial lattice constant guess of a = [3.22892708] Angstroms and c = 4.481893464415688 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.539722
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.2289056312021986, c = 5.272885889818202, total energy = -24.53972245230173

Attempting to perform relaxation using initial lattice constant guess of a = [3.22892708] Angstroms and c = 4.7455342564401395 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.539722
         Iterations: 77
         Function evaluations: 158
Results for this minimization:
  a = 3.2289056086143857, c = 5.272885923483573, total energy = -24.53972245230173

Attempting to perform relaxation using initial lattice constant guess of a = [3.22892708] Angstroms and c = 5.009175048464591 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.539722
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 3.2289056224580452, c = 5.272885978562728, total energy = -24.53972245230172

Attempting to perform relaxation using initial lattice constant guess of a = [3.22892708] Angstroms and c = 5.272815840489043 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.539722
         Iterations: 64
         Function evaluations: 136
Results for this minimization:
  a = 3.2289056221921557, c = 5.272885974314548, total energy = -24.53972245230169

Attempting to perform relaxation using initial lattice constant guess of a = [3.22892708] Angstroms and c = 5.536456632513495 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.539722
         Iterations: 81
         Function evaluations: 165
Results for this minimization:
  a = 3.228905618137097, c = 5.272885963546704, total energy = -24.539722452301785

Attempting to perform relaxation using initial lattice constant guess of a = [3.22892708] Angstroms and c = 5.800097424537947 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.539722
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 3.228905631574288, c = 5.272885925194149, total energy = -24.539722452301735

Attempting to perform relaxation using initial lattice constant guess of a = [3.22892708] Angstroms and c = 6.063738216562399 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.539722
         Iterations: 70
         Function evaluations: 156
Results for this minimization:
  a = 3.2289056269365792, c = 5.272886029334366, total energy = -24.539722452301728

Attempting to perform relaxation using initial lattice constant guess of a = [3.22892708] Angstroms and c = 6.327379008586851 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.539722
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 3.228905622038133, c = 5.272886029203109, total energy = -24.53972245230184

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

 Final lattice Constants:
   a = 3.228905622038133 Angstroms, c = 5.272886029203109 Angstroms, c/a = 1.633026

 Total energy: -24.53972245230184 eV

 Cohesive energy: -6.13493061307546 eV/atom

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