Element = Lattice = Model = Element: Hg
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 9.40789000168444 Angstroms
Computed isolated atomic energy of 0.0 eV for species Hg

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.512663
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.5675809755921395, total energy = -1.5126634977022289

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: -1.512663
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.567580963880755, total energy = -1.5126634977022215

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: -1.512663
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5675809793174267, total energy = -1.5126634977022295

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: -1.512663
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5675809820182676, total energy = -1.5126634977022255

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: -1.512663
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5675809804350163, total energy = -1.512663497702231

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: -1.512663
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.5675809704582226, total energy = -1.512663497702225

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: -1.512663
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.567580980435014, total energy = -1.5126634977022306

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: -1.512663
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5675809793174267, total energy = -1.5126634977022286

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: -1.512663
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.5675809755921377, total energy = -1.5126634977022282

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: -1.512663
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5675809607375415, total energy = -1.5126634977022249

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: -1.512663
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5675809704815045, total energy = -1.5126634977022249

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: -1.512663
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5675809782813297, total energy = -1.5126634977022242

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: -1.512663
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.567580975824967, total energy = -1.5126634977022293

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: -1.512663
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.567580980435014, total energy = -1.5126634977022304

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: -1.512663
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5675809797132385, total energy = -1.512663497702224

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: -1.512663
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5675809648761057, total energy = -1.5126634977022253

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: -1.512663
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5675809804350123, total energy = -1.5126634977022293

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: -1.512663
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5675809755921364, total energy = -1.5126634977022289

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: -1.512663
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5675809706095607, total energy = -1.5126634977022264

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: -1.512663
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5675809643784295, total energy = -1.5126634977022266

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: -1.512663
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5675809804350123, total energy = -1.5126634977022297

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: -1.512663
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5675809765059943, total energy = -1.5126634977022342

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: -1.512663
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5675809793174267, total energy = -1.5126634977022293

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: -1.512663
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.567580978886687, total energy = -1.5126634977022237

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: -1.512663
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.567580985929816, total energy = -1.5126634977022209

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: -1.512663
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5675809746549945, total energy = -1.5126634977022224

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: -1.512663
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.567580963904035, total energy = -1.5126634977022275

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: -1.512663
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.567580984570668, total energy = -1.5126634977022229

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: -1.512663
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.5675809691194402, total energy = -1.512663497702225

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: -1.512663
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5675809609820113, total energy = -1.5126634977022244

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: -1.512663
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5675809782813315, total energy = -1.5126634977022249

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: -1.512663
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5675809780252137, total energy = -1.5126634977022297

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: -1.512663
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5675809793174267, total energy = -1.512663497702229

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: -1.512663
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.567580977291795, total energy = -1.512663497702227

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: -1.512663
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5675809804350123, total energy = -1.5126634977022295

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: -1.512663
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5675809792242967, total energy = -1.5126634977022286

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: -1.512663
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.567580979072951, total energy = -1.5126634977022264

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: -1.512663
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.567580975824967, total energy = -1.5126634977022282

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: -1.512663
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.567580965947122, total energy = -1.5126634977022237

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: -1.512663
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.567580980775527, total energy = -1.5126634977022266

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: -1.512663
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.567580984905354, total energy = -1.5126634977022244

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: -1.512663
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.567580980435009, total energy = -1.512663497702231

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: -1.512663
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5675809755921364, total energy = -1.512663497702228

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: -1.512663
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.56758097973652, total energy = -1.5126634977022269

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: -1.512663
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.567580986954265, total energy = -1.5126634977022217

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: -1.512663
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.567580978944889, total energy = -1.5126634977022242

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: -1.512663
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.567580964378426, total energy = -1.5126634977022273

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: -1.512663
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.567580985603854, total energy = -1.5126634977022309

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: -1.512663
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.567580980435012, total energy = -1.5126634977022306

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: -1.512663
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.5675809886772116, total energy = -1.5126634977022226

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: -1.512663
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.567580976505987, total energy = -1.5126634977022326

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: -1.512663
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.567580963426731, total energy = -1.512663497702221

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: -1.512663
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5675809793174267, total energy = -1.5126634977022284

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: -1.512663
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5675809554755737, total energy = -1.512663497702224

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 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 = 7.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7750000000000234 Angstroms and c = -1.2655697004380135 Angstroms; the model cutoff was estimated to be 9.40789000168444 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 = 7.875 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 = 7.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7875000000000156 Angstroms and c = -1.285982114961194 Angstroms; the model cutoff was estimated to be 9.40789000168444 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 = 8.0 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 = 8.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8000000000000078 Angstroms and c = -1.3063945294843744 Angstroms; the model cutoff was estimated to be 9.40789000168444 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 = 8.125 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 = 8.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8125 Angstroms and c = -1.3268069440075547 Angstroms; the model cutoff was estimated to be 9.40789000168444 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 = 8.25 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 = 8.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8249999999999922 Angstroms and c = -1.3472193585307353 Angstroms; the model cutoff was estimated to be 9.40789000168444 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 = 8.375 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 = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 9.40789000168444 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 = 8.5 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 9.40789000168444 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 9.40789000168444 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 9.40789000168444 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 9.40789000168444 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 9.40789000168444 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 9.40789000168444 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 9.40789000168444 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 9.40789000168444 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 9.40789000168444 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 = [2.56758098] Angstroms and c = 3.3542737417155464 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.512664
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.5675639046956507, c = 4.192897909242326, total energy = -1.5126635003080424

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 3.563915850572768 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.512664
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.5675639165430093, c = 4.192897879559359, total energy = -1.5126635003080409

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 3.7735579594299895 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.512664
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 2.567563879772335, c = 4.19289797440028, total energy = -1.5126635003080395

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 3.983200068287211 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.512664
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.5675639089222417, c = 4.192897887529043, total energy = -1.5126635003080409

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 4.192842177144433 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.512664
         Iterations: 64
         Function evaluations: 143
Results for this minimization:
  a = 2.567563895150138, c = 4.1928979523085115, total energy = -1.5126635003080415

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 4.402484286001654 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.512664
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.567563868580159, c = 4.19289795970102, total energy = -1.5126635003080384

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 4.612126394858876 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.512664
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.5675638966576892, c = 4.192897934925676, total energy = -1.5126635003080433

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 4.821768503716097 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.512664
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.5675638913685814, c = 4.192897935677999, total energy = -1.5126635003080393

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 5.031410612573319 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -1.512664
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 2.5675638967158503, c = 4.192897956715949, total energy = -1.5126635003080395

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

 Final lattice Constants:
   a = 2.5675638966576892 Angstroms, c = 4.192897934925676 Angstroms, c/a = 1.633026

 Total energy: -1.5126635003080433 eV

 Cohesive energy: -0.3781658750770108 eV/atom

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