Element = Lattice = Model = Element: Tl
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.3343999994174 Angstroms
Computed isolated atomic energy of 0.0 eV for species Tl

==============================================================================
==============================================================================
 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 10.3343999994174 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: -19.221782
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8204559954116126, total energy = -19.22178177819692

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: -19.221782
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.820455994224176, total energy = -19.221781778196874

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: -19.221782
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8204559833975558, total energy = -19.22178177819692

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: -19.221782
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8204559639096294, total energy = -19.22178177819688

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: -19.221782
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.820455991919154, total energy = -19.221781778196878

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: -19.221782
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8204559909179805, total energy = -19.221781778196895

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: -19.221782
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.820455992303323, total energy = -19.221781778196895

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: -19.221782
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8204559803009044, total energy = -19.221781778196963

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: -19.221782
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.820455984771253, total energy = -19.221781778196906

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: -19.221782
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.820455995411613, total energy = -19.22178177819693

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: -19.221782
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.820455993228824, total energy = -19.221781778196938

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: -19.221782
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.820455994224176, total energy = -19.221781778196874

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: -19.221782
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.820455982768909, total energy = -19.22178177819691

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: -19.221782
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8204559833975513, total energy = -19.22178177819689

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: -19.221782
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8204559987876565, total energy = -19.221781778196927

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: -19.221782
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.820455994084478, total energy = -19.2217817781969

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: -19.221782
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.820456009649206, total energy = -19.22178177819688

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: -19.221782
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.820455992827192, total energy = -19.22178177819687

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: -19.221782
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.820455995044904, total energy = -19.221781778196892

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: -19.221782
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.820455990592017, total energy = -19.221781778196906

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: -19.221782
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8204559877514828, total energy = -19.22178177819684

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: -19.221782
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.820455992303323, total energy = -19.221781778196895

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: -19.221782
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.820455988723548, total energy = -19.221781778196874

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: -19.221782
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8204559803009017, total energy = -19.221781778196966

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: -19.221782
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.820455997996033, total energy = -19.221781778196895

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: -19.221782
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8204559847712494, total energy = -19.22178177819692

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: -19.221782
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.8204560033555026, total energy = -19.221781778196952

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: -19.221782
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.820455995202061, total energy = -19.221781778196934

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: -19.221782
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.820455993380164, total energy = -19.22178177819694

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: -19.221782
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8204559933394213, total energy = -19.221781778196913

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: -19.221782
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.82045600571, total energy = -19.22178177819688

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: -19.221782
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.820455981651321, total energy = -19.22178177819688

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: -19.221782
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8204559771693267, total energy = -19.221781778196913

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: -19.221782
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.820455984724682, total energy = -19.221781778196917

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: -19.221782
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.82045600321144, total energy = -19.221781778196913

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: -19.221782
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.820455985702571, total energy = -19.221781778196863

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: -19.221782
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8204559950972907, total energy = -19.221781778196917

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: -19.221782
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8204559987876507, total energy = -19.221781778196906

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: -19.221782
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8204560079364436, total energy = -19.221781778196867

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: -19.221782
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.820455995202057, total energy = -19.221781778196938

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: -19.221782
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8204559956240662, total energy = -19.22178177819693

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: -19.221782
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.820456009649206, total energy = -19.221781778196892

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: -19.221782
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.820455993874928, total energy = -19.22178177819691

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: -19.221782
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8204559931298654, total energy = -19.221781778196895

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: -19.221782
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8204560083802703, total energy = -19.22178177819689

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: -19.221782
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.820455995202061, total energy = -19.22178177819692

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: -19.221782
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.8204559962032363, total energy = -19.221781778196892

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: -19.221782
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8204559918958676, total energy = -19.221781778196917

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: -19.221782
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.82045600517303, total energy = -19.221781778196988

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: -19.221782
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8204559877514757, total energy = -19.221781778196874

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: -19.221782
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.820455984438008, total energy = -19.221781778196885

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: -19.221782
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.8204560074955225, total energy = -19.221781778196863

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: -19.221782
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8204559822523194, total energy = -19.221781778196945

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: -19.221782
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8204560188576435, total energy = -19.221781778196863

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: -19.221782
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8204560045269225, total energy = -19.221781778196924

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: -19.221782
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.820455980300898, total energy = -19.22178177819695

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: -19.221782
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.820456007961184, total energy = -19.221781778196863

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: -19.221782
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.820455988775943, total energy = -19.221781778196952

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: -19.221782
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.8204559994046425, total energy = -19.2217817781969

Attempting to perform relaxation using initial lattice constant guess of a = 8.5 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 = 8.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8500000000000156 Angstroms and c = -1.3880441875771599 Angstroms; the model cutoff was estimated to be 10.3343999994174 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 = 8.625 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 = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 10.3343999994174 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 = 8.75 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 = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 10.3343999994174 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 = 8.875 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 = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 10.3343999994174 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 = 9.0 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 = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 10.3343999994174 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 = 9.125 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 = 9.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9125000000000156 Angstroms and c = -1.4901062601931256 Angstroms; the model cutoff was estimated to be 10.3343999994174 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 = 9.25 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 = 9.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9250000000000078 Angstroms and c = -1.510518674716306 Angstroms; the model cutoff was estimated to be 10.3343999994174 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 = 9.375 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 = 9.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9375 Angstroms and c = -1.5309310892394863 Angstroms; the model cutoff was estimated to be 10.3343999994174 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 = 9.5 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 = 9.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9499999999999922 Angstroms and c = -1.5513435037626666 Angstroms; the model cutoff was estimated to be 10.3343999994174 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 = 9.625 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 = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 10.3343999994174 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 = 9.75 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 10.3343999994174 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 10.3343999994174 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 10.3343999994174 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 10.3343999994174 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 10.3343999994174 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 10.3343999994174 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 = [2.82045601] Angstroms and c = 3.6846282958093632 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.221782
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.820437241445095, c = 4.605846592419748, total energy = -19.221781811309647

Attempting to perform relaxation using initial lattice constant guess of a = [2.82045601] Angstroms and c = 3.9149175642974483 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.221782
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.820437215023122, c = 4.605846603436793, total energy = -19.22178181130962

Attempting to perform relaxation using initial lattice constant guess of a = [2.82045601] Angstroms and c = 4.145206832785533 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.221782
         Iterations: 72
         Function evaluations: 147
Results for this minimization:
  a = 2.8204372310115353, c = 4.605846580964139, total energy = -19.22178181130965

Attempting to perform relaxation using initial lattice constant guess of a = [2.82045601] Angstroms and c = 4.375496101273619 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.221782
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 2.8204372402007314, c = 4.6058465571328036, total energy = -19.221781811309608

Attempting to perform relaxation using initial lattice constant guess of a = [2.82045601] Angstroms and c = 4.605785369761703 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.221782
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.820437235332253, c = 4.605846673377003, total energy = -19.2217818113096

Attempting to perform relaxation using initial lattice constant guess of a = [2.82045601] Angstroms and c = 4.836074638249789 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.221782
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.8204372315105615, c = 4.605846642014142, total energy = -19.221781811309704

Attempting to perform relaxation using initial lattice constant guess of a = [2.82045601] Angstroms and c = 5.066363906737873 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.221782
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.8204372234670165, c = 4.60584662092835, total energy = -19.221781811309647

Attempting to perform relaxation using initial lattice constant guess of a = [2.82045601] Angstroms and c = 5.296653175225959 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.221782
         Iterations: 76
         Function evaluations: 163
Results for this minimization:
  a = 2.820437253392373, c = 4.605846616143106, total energy = -19.22178181130964

Attempting to perform relaxation using initial lattice constant guess of a = [2.82045601] Angstroms and c = 5.526942443714043 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.221782
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.8204372500499737, c = 4.605846576745279, total energy = -19.221781811309686

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

 Final lattice Constants:
   a = 2.8204372315105615 Angstroms, c = 4.605846642014142 Angstroms, c/a = 1.633026

 Total energy: -19.221781811309704 eV

 Cohesive energy: -4.805445452827426 eV/atom

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