Element = Lattice = Model = Element: Cr
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 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: -51.187864
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452936172524, total energy = -51.18786369754661

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: -51.187864
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.703745304234324, total energy = -51.18786369754651

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: -51.187864
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.703745292034, total energy = -51.18786369754658

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: -51.187864
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.7037452880758854, total energy = -51.18786369754651

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: -51.187864
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.703745293617252, total energy = -51.187863697546625

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: -51.187864
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452816963206, total energy = -51.18786369754648

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: -51.187864
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.70374529361725, total energy = -51.18786369754663

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: -51.187864
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7037453008815646, total energy = -51.18786369754636

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: -51.187864
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.7037452936172506, total energy = -51.18786369754661

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: -51.187864
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7037452885881077, total energy = -51.18786369754656

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: -51.187864
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7037453042343254, total energy = -51.18786369754648

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: -51.187864
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.703745287051424, total energy = -51.18786369754649

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: -51.187864
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.703745292034, total energy = -51.187863697546575

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: -51.187864
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.7037452936172492, total energy = -51.18786369754662

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: -51.187864
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.703745288588107, total energy = -51.18786369754657

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: -51.187864
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7037452917080373, total energy = -51.18786369754639

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: -51.187864
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7037452936172484, total energy = -51.18786369754664

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: -51.187864
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.703745295293629, total energy = -51.187863697546426

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: -51.187864
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.703745282150339, total energy = -51.18786369754653

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: -51.187864
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7037452976859635, total energy = -51.18786369754647

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: -51.187864
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7037452936172484, total energy = -51.18786369754662

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: -51.187864
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.7037452708929757, total energy = -51.187863697546554

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: -51.187864
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.70374526840169, total energy = -51.18786369754635

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: -51.187864
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.703745276387777, total energy = -51.18786369754629

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: -51.187864
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.703745293617248, total energy = -51.18786369754664

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: -51.187864
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.703745300881566, total energy = -51.18786369754639

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: -51.187864
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.703745288588104, total energy = -51.1878636975466

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: -51.187864
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452571094036, total energy = -51.187863697546234

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: -51.187864
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037453042343205, total energy = -51.18786369754644

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: -51.187864
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452960299553, total energy = -51.187863697546454

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: -51.187864
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.703745287051426, total energy = -51.18786369754648

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: -51.187864
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452859338336, total energy = -51.187863697546504

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: -51.187864
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 2.703745292034, total energy = -51.18786369754658

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: -51.187864
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452757882368, total energy = -51.187863697546575

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: -51.187864
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452936172475, total energy = -51.1878636975466

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: -51.187864
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452854216117, total energy = -51.18786369754649

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: -51.187864
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452885881033, total energy = -51.18786369754655

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: -51.187864
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452589720488, total energy = -51.18786369754628

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: -51.187864
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.703745288494969, total energy = -51.18786369754638

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: -51.187864
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7037453013472232, total energy = -51.18786369754637

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: -51.187864
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.7037452936172413, total energy = -51.187863697546575

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: -51.187864
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.703745293617245, total energy = -51.18786369754659

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: -51.187864
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.703745295293629, total energy = -51.18786369754642

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: -51.187864
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.703745288588104, total energy = -51.18786369754655

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: -51.187864
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.703745282150333, total energy = -51.18786369754656

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: -51.187864
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452992517412, total energy = -51.187863697546334

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: -51.187864
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.70374529768596, total energy = -51.18786369754656

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: -51.187864
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.7037453008815646, total energy = -51.18786369754638

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: -51.187864
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452936172484, total energy = -51.187863697546604

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: -51.187864
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.703745279420393, total energy = -51.18786369754651

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: -51.187864
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452722433866, total energy = -51.1878636975466

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: -51.187864
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452627977427, total energy = -51.18786369754641

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: -51.187864
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.703745267353952, total energy = -51.18786369754632

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: -51.187864
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452861666735, total energy = -51.18786369754651

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: -51.187864
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7037452505843103, total energy = -51.18786369754617

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: -51.187864
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.703745297528794, total energy = -51.18786369754657

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: -51.187864
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.7037452936172444, total energy = -51.18786369754657

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 = [2.70374529] Angstroms and c = 3.5321580607006626 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.187864
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.703727288738801, c = 4.415256309074146, total energy = -51.18786378572593

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374529] Angstroms and c = 3.752917939494454 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.187864
         Iterations: 77
         Function evaluations: 161
Results for this minimization:
  a = 2.7037273048087602, c = 4.415256247910904, total energy = -51.18786378572612

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374529] Angstroms and c = 3.973677818288245 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.187864
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.7037273131107673, c = 4.415256258056811, total energy = -51.18786378572624

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374529] Angstroms and c = 4.194437697082036 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.187864
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.7037273075932657, c = 4.415256270812799, total energy = -51.18786378572594

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374529] Angstroms and c = 4.415197575875828 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.187864
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.703727304031819, c = 4.415256250873795, total energy = -51.187863785726094

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374529] Angstroms and c = 4.635957454669619 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.187864
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 2.703727306290089, c = 4.415256276002873, total energy = -51.18786378572621

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374529] Angstroms and c = 4.8567173334634095 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.187864
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.7037273074091885, c = 4.415256239305387, total energy = -51.18786378572605

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374529] Angstroms and c = 5.077477212257201 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.187864
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 2.7037273073310923, c = 4.415256328374655, total energy = -51.18786378572605

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374529] Angstroms and c = 5.298237091050993 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.187864
         Iterations: 81
         Function evaluations: 166
Results for this minimization:
  a = 2.7037272918402855, c = 4.415256288395149, total energy = -51.18786378572606

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

 Final lattice Constants:
   a = 2.7037273131107673 Angstroms, c = 4.415256258056811 Angstroms, c/a = 1.633026

 Total energy: -51.18786378572624 eV

 Cohesive energy: -12.79696594643156 eV/atom

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