Element = Lattice = Model = Element: Sb
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 9.906790000200273 Angstroms
Computed isolated atomic energy of 0.0 eV for species Sb

==============================================================================
==============================================================================
 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: -102.865359
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452816963237, total energy = -102.86535941791577

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: -102.865359
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 2.7037452790886154, total energy = -102.8653594179158

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: -102.865359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.703745290695224, total energy = -102.86535941791573

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: -102.865359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452906370225, total energy = -102.8653594179157

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: -102.865359
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7037452793680172, total energy = -102.8653594179162

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: -102.865359
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.70374528290704, total energy = -102.865359417916

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: -102.865359
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.703745314478876, total energy = -102.86535941791543

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: -102.865359
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.70374528830871, total energy = -102.86535941791614

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: -102.865359
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.703745281696322, total energy = -102.86535941791584

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: -102.865359
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7037452790886176, total energy = -102.86535941791591

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: -102.865359
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452790886163, total energy = -102.86535941791587

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: -102.865359
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.703745279088616, total energy = -102.86535941791591

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: -102.865359
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.7037452870281413, total energy = -102.8653594179159

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: -102.865359
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.703745279315627, total energy = -102.86535941791556

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: -102.865359
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.7037452906370163, total energy = -102.86535941791561

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: -102.865359
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7037452724965987, total energy = -102.86535941791594

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: -102.865359
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.70374530032277, total energy = -102.86535941791543

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: -102.865359
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.70374528830871, total energy = -102.86535941791611

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: -102.865359
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7037452829070383, total energy = -102.86535941791593

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: -102.865359
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7037452851131087, total energy = -102.8653594179158

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: -102.865359
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.703745314478874, total energy = -102.86535941791531

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: -102.865359
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7037452816963174, total energy = -102.8653594179157

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: -102.865359
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.70374528830871, total energy = -102.86535941791608

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: -102.865359
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.703745273500677, total energy = -102.8653594179157

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: -102.865359
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7037452816963192, total energy = -102.86535941791577

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: -102.865359
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452793680146, total energy = -102.86535941791605

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: -102.865359
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.703745279088614, total energy = -102.86535941791591

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: -102.865359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452538497746, total energy = -102.8653594179152

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: -102.865359
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452790886114, total energy = -102.86535941791611

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: -102.865359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452881690105, total energy = -102.8653594179155

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: -102.865359
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.7037452790886176, total energy = -102.86535941791598

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: -102.865359
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.703745278896528, total energy = -102.8653594179158

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: -102.865359
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452870281413, total energy = -102.865359417916

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: -102.865359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452605145473, total energy = -102.8653594179156

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: -102.865359
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452917225884, total energy = -102.86535941791558

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: -102.865359
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452854216117, total energy = -102.86535941791581

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: -102.865359
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.703745282441374, total energy = -102.8653594179156

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: -102.865359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452969525475, total energy = -102.86535941791547

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: -102.865359
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452724965934, total energy = -102.86535941791591

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: -102.865359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037453144104777, total energy = -102.86535941791537

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: -102.865359
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.703745265677564, total energy = -102.86535941791549

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: -102.865359
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.703745273580713, total energy = -102.86535941791573

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: -102.865359
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.70374528830871, total energy = -102.86535941791604

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: -102.865359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.703745278494896, total energy = -102.86535941791605

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: -102.865359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452829070316, total energy = -102.86535941791605

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: -102.865359
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.703745286911718, total energy = -102.86535941791568

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: -102.865359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.703745285113105, total energy = -102.86535941791581

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: -102.865359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452906370163, total energy = -102.8653594179156

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: -102.865359
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.703745314478874, total energy = -102.86535941791543

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: -102.865359
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452790886096, total energy = -102.86535941791628

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: -102.865359
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452816963103, total energy = -102.86535941791581

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: -102.865359
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.703745279368009, total energy = -102.86535941791601

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: -102.865359
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.70374528830871, total energy = -102.86535941791605

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: -102.865359
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.7037452872318735, total energy = -102.86535941791574

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: -102.865359
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.70374529677791, total energy = -102.8653594179156

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: -102.865359
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.703745291844816, total energy = -102.86535941791566

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: -102.865359
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452802061996, total energy = -102.86535941791584

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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 = [2.70374528] Angstroms and c = 3.5321580417205283 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -102.865360
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.703727295813289, c = 4.415256327655469, total energy = -102.86535959511838

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 3.7529179193280613 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -102.865360
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.7037273047518005, c = 4.415256279105621, total energy = -102.86535959511846

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 3.9736777969355943 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -102.865360
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 2.703727272033218, c = 4.415256231924431, total energy = -102.86535959511832

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.194437674543128 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -102.865360
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.703727303598126, c = 4.415256283516473, total energy = -102.86535959511859

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.41519755215066 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -102.865360
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 2.703727355184844, c = 4.415256200007987, total energy = -102.86535959511818

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.635957429758193 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -102.865360
         Iterations: 74
         Function evaluations: 150
Results for this minimization:
  a = 2.7037273340391392, c = 4.415256244658538, total energy = -102.8653595951182

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.856717307365726 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -102.865360
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.703727293124704, c = 4.415256284930471, total energy = -102.86535959511846

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 5.07747718497326 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -102.865360
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.7037272991164727, c = 4.4152562167009055, total energy = -102.86535959511842

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 5.298237062580792 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -102.865360
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.703727303894343, c = 4.415256265233717, total energy = -102.86535959511878

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

 Final lattice Constants:
   a = 2.703727303894343 Angstroms, c = 4.415256265233717 Angstroms, c/a = 1.633026

 Total energy: -102.86535959511878 eV

 Cohesive energy: -25.716339898779694 eV/atom

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