Element = Lattice = Model = Element: Cr
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cr__MO_859700307573_002
Computed model cutoff of 9.053510005101584 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cr

==============================================================================
==============================================================================
 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: -15.669834
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.5589190006256137, total energy = -15.669834369606367

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: -15.669834
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5589189708232882, total energy = -15.66983436960639

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: -15.669834
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.558918942697346, total energy = -15.669834369606324

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: -15.669834
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5589189961552674, total energy = -15.66983436960634

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: -15.669834
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5589190060272844, total energy = -15.669834369606345

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: -15.669834
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.558918999508025, total energy = -15.669834369606312

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: -15.669834
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5589189960737717, total energy = -15.669834369606413

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: -15.669834
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.558918969705701, total energy = -15.669834369606365

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: -15.669834
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5589190064929443, total energy = -15.66983436960639

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: -15.669834
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.558918965328486, total energy = -15.669834369606273

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: -15.669834
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5589189706137407, total energy = -15.669834369606399

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: -15.669834
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5589189956896, total energy = -15.669834369606413

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: -15.669834
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.558918942697346, total energy = -15.669834369606331

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: -15.669834
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.5589190065860747, total energy = -15.66983436960633

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: -15.669834
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.558918996155262, total energy = -15.66983436960636

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: -15.669834
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5589189920196067, total energy = -15.669834369606347

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: -15.669834
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5589190065860743, total energy = -15.669834369606336

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: -15.669834
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5589189960737713, total energy = -15.669834369606399

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: -15.669834
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5589189995080233, total energy = -15.669834369606312

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: -15.669834
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.558918970823287, total energy = -15.669834369606393

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: -15.669834
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.558918996073771, total energy = -15.669834369606402

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: -15.669834
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5589189972728468, total energy = -15.669834369606331

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: -15.669834
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.558918969705701, total energy = -15.669834369606352

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: -15.669834
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.558918965107292, total energy = -15.669834369606395

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: -15.669834
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.5589190006256093, total energy = -15.66983436960635

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: -15.669834
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5589190043509022, total energy = -15.66983436960629

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: -15.669834
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5589189962018253, total energy = -15.669834369606313

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: -15.669834
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5589189846650697, total energy = -15.669834369606386

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: -15.669834
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5589189706137363, total energy = -15.669834369606418

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: -15.669834
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5589189611375325, total energy = -15.669834369606328

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: -15.669834
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.558918985072524, total energy = -15.669834369606358

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: -15.669834
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.558918985282068, total energy = -15.66983436960635

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: -15.669834
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5589189381571487, total energy = -15.669834369606278

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: -15.669834
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.558918961137528, total energy = -15.669834369606347

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: -15.669834
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.558919006586073, total energy = -15.66983436960634

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: -15.669834
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5589190052822244, total energy = -15.669834369606397

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: -15.669834
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5589189961552585, total energy = -15.669834369606352

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: -15.669834
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.558918970404193, total energy = -15.669834369606344

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: -15.669834
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.558918995701236, total energy = -15.669834369606397

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: -15.669834
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.558918994967824, total energy = -15.66983436960634

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: -15.669834
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5589190060272737, total energy = -15.669834369606326

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: -15.669834
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.558918996949792, total energy = -15.669834369606292

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: -15.669834
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.5589190097525716, total energy = -15.669834369606304

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: -15.669834
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.5589189906604566, total energy = -15.669834369606317

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: -15.669834
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.5589189801365064, total energy = -15.669834369606377

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: -15.669834
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.558918953314415, total energy = -15.669834369606306

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: -15.669834
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5589189708232833, total energy = -15.669834369606399

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: -15.669834
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5589189510792494, total energy = -15.669834369606342

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: -15.669834
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.558918996073769, total energy = -15.669834369606386

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: -15.669834
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.558918969395738, total energy = -15.66983436960636

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: -15.669834
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5589189972728397, total energy = -15.669834369606319

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 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 = 7.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7375000000000078 Angstroms and c = -1.2043324568684086 Angstroms; the model cutoff was estimated to be 9.053510005101584 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 = 7.5 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 = 7.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.75 Angstroms and c = -1.224744871391589 Angstroms; the model cutoff was estimated to be 9.053510005101584 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 = 7.625 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 = 7.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7624999999999922 Angstroms and c = -1.2451572859147695 Angstroms; the model cutoff was estimated to be 9.053510005101584 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 = 7.75 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 9.053510005101584 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 9.053510005101584 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 9.053510005101584 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 9.053510005101584 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 9.053510005101584 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 9.053510005101584 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 9.053510005101584 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 9.053510005101584 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 9.053510005101584 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 9.053510005101584 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 9.053510005101584 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 9.053510005101584 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 = [2.55891897] Angstroms and c = 3.3429577446035394 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.669835
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.5590379332001474, c = 4.178308965269108, total energy = -15.669835033624903

Attempting to perform relaxation using initial lattice constant guess of a = [2.55891897] Angstroms and c = 3.5518926036412606 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.669835
         Iterations: 74
         Function evaluations: 162
Results for this minimization:
  a = 2.5590379518328468, c = 4.1783089206068755, total energy = -15.669835033624842

Attempting to perform relaxation using initial lattice constant guess of a = [2.55891897] Angstroms and c = 3.7608274626789817 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.669835
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.5590379799400877, c = 4.178308928755237, total energy = -15.6698350336249

Attempting to perform relaxation using initial lattice constant guess of a = [2.55891897] Angstroms and c = 3.969762321716703 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.669835
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.5590379774980607, c = 4.178309041670294, total energy = -15.66983503362487

Attempting to perform relaxation using initial lattice constant guess of a = [2.55891897] Angstroms and c = 4.178697180754424 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.669835
         Iterations: 65
         Function evaluations: 138
Results for this minimization:
  a = 2.559038003544485, c = 4.178308921872317, total energy = -15.669835033624837

Attempting to perform relaxation using initial lattice constant guess of a = [2.55891897] Angstroms and c = 4.387632039792145 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.669835
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.559037964370863, c = 4.1783090193331915, total energy = -15.669835033624913

Attempting to perform relaxation using initial lattice constant guess of a = [2.55891897] Angstroms and c = 4.596566898829867 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.669835
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.559037948949319, c = 4.178308954003713, total energy = -15.669835033624837

Attempting to perform relaxation using initial lattice constant guess of a = [2.55891897] Angstroms and c = 4.805501757867587 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.669835
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.5590379683113644, c = 4.178309004351613, total energy = -15.669835033624917

Attempting to perform relaxation using initial lattice constant guess of a = [2.55891897] Angstroms and c = 5.014436616905309 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.669835
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.559037981271473, c = 4.178308949740414, total energy = -15.669835033624919

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

 Final lattice Constants:
   a = 2.559037981271473 Angstroms, c = 4.178308949740414 Angstroms, c/a = 1.632766

 Total energy: -15.669835033624919 eV

 Cohesive energy: -3.9174587584062297 eV/atom

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