Element = Lattice = Model = Element: Bi
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.54819999895993 Angstroms
Computed isolated atomic energy of 0.0 eV for species Bi

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


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.0 Angstroms and c = 1.632993161855452 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8788058807142076, total energy = -69.27691594002705

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: -69.276916
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8788058757781982, total energy = -69.27691594002692

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: -69.276916
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.878805894404657, total energy = -69.27691594002665

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: -69.276916
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8788059234619165, total energy = -69.27691594002654

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: -69.276916
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8788058844162165, total energy = -69.27691594002691

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: -69.276916
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.878805875778199, total energy = -69.27691594002692

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: -69.276916
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.878805883228779, total energy = -69.27691594002667

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: -69.276916
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.878805875778201, total energy = -69.276915940027

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: -69.276916
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.8788058761972937, total energy = -69.27691594002677

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: -69.276916
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8788059234619148, total energy = -69.27691594002658

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: -69.276916
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.878805859832207, total energy = -69.27691594002641

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: -69.276916
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8788058757781982, total energy = -69.27691594002691

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: -69.276916
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.878805901529268, total energy = -69.27691594002675

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: -69.276916
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8788058687932794, total energy = -69.27691594002671

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: -69.276916
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8788058815523976, total energy = -69.27691594002675

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: -69.276916
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.878805923461914, total energy = -69.27691594002654

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: -69.276916
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.878805883519817, total energy = -69.2769159400267

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: -69.276916
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8788058844162148, total energy = -69.27691594002695

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: -69.276916
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8788058795616958, total energy = -69.27691594002665

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: -69.276916
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8788058757781982, total energy = -69.27691594002691

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: -69.276916
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8788058634847387, total energy = -69.27691594002644

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: -69.276916
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8788058860227466, total energy = -69.27691594002661

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: -69.276916
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8788058923324553, total energy = -69.27691594002677

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: -69.276916
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.878805875591933, total energy = -69.27691594002691

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: -69.276916
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.878805895749248, total energy = -69.27691594002667

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: -69.276916
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8788058880716534, total energy = -69.27691594002675

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: -69.276916
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8788058757781982, total energy = -69.27691594002692

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: -69.276916
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.8788058662554215, total energy = -69.27691594002664

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: -69.276916
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.878805902227758, total energy = -69.27691594002661

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: -69.276916
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8788058598322106, total energy = -69.27691594002643

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: -69.276916
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8788059234619108, total energy = -69.2769159400265

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: -69.276916
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8788058757781982, total energy = -69.2769159400269

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: -69.276916
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8788059051032127, total energy = -69.27691594002658

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: -69.276916
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.878805901529267, total energy = -69.27691594002675

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: -69.276916
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8788058616686625, total energy = -69.27691594002658

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: -69.276916
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.878805868793276, total energy = -69.27691594002668

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: -69.276916
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8788058790378273, total energy = -69.27691594002667

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: -69.276916
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8788058815523923, total energy = -69.27691594002678

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: -69.276916
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.8788058835896653, total energy = -69.27691594002677

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: -69.276916
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.878805904602625, total energy = -69.27691594002667

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: -69.276916
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.878805904819454, total energy = -69.27691594002661

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: -69.276916
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8788058849750087, total energy = -69.27691594002674

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: -69.276916
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.878805894701507, total energy = -69.27691594002657

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: -69.276916
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8788058844162094, total energy = -69.27691594002694

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: -69.276916
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.878805923461906, total energy = -69.27691594002648

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: -69.276916
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.878805879561692, total energy = -69.2769159400266

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: -69.276916
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8788058932841523, total energy = -69.2769159400267

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: -69.276916
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8788058757781965, total energy = -69.27691594002687

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: -69.276916
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.878805896936676, total energy = -69.27691594002671

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: -69.276916
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8788059012964284, total energy = -69.27691594002665

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: -69.276916
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.878805900766743, total energy = -69.27691594002677

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: -69.276916
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.878805883228779, total energy = -69.2769159400266

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: -69.276916
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8788058536127252, total energy = -69.27691594002667

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: -69.276916
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8788058923324447, total energy = -69.2769159400268

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: -69.276916
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 2.878805890405774, total energy = -69.27691594002692

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: -69.276916
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8788058755919295, total energy = -69.2769159400269

Attempting to perform relaxation using initial lattice constant guess of a = 8.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.878805897431448, total energy = -69.27691594002665

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8788059005513835, total energy = -69.27691594002657

Attempting to perform relaxation using initial lattice constant guess of a = 8.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.8788058755919192, total energy = -69.27691594002691

Attempting to perform relaxation using initial lattice constant guess of a = 8.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8788058880716463, total energy = -69.27691594002674

Attempting to perform relaxation using initial lattice constant guess of a = 8.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9125000000000156 Angstroms and c = -1.4901062601931256 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9250000000000078 Angstroms and c = -1.510518674716306 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9375 Angstroms and c = -1.5309310892394863 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9499999999999922 Angstroms and c = -1.5513435037626666 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9750000000000156 Angstroms and c = -1.5921683328090912 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9875000000000078 Angstroms and c = -1.6125807473322717 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 10.54819999895993 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 10.54819999895993 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 = 10.5 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 = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 10.54819999895993 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 = 10.625 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 = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 10.54819999895993 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 = [2.87880588] Angstroms and c = 3.760856254012451 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.8787867468644803, c = 4.7011328226826485, total energy = -69.27691605936789

Attempting to perform relaxation using initial lattice constant guess of a = [2.87880588] Angstroms and c = 3.9959097698882293 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.878786752601237, c = 4.701132844884675, total energy = -69.27691605936774

Attempting to perform relaxation using initial lattice constant guess of a = [2.87880588] Angstroms and c = 4.230963285764007 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 72
         Function evaluations: 148
Results for this minimization:
  a = 2.878786726215022, c = 4.701132835619946, total energy = -69.27691605936771

Attempting to perform relaxation using initial lattice constant guess of a = [2.87880588] Angstroms and c = 4.466016801639785 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 2.878786763587149, c = 4.701132815591599, total energy = -69.2769160593677

Attempting to perform relaxation using initial lattice constant guess of a = [2.87880588] Angstroms and c = 4.701070317515564 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.8787867714945343, c = 4.7011328171859805, total energy = -69.27691605936782

Attempting to perform relaxation using initial lattice constant guess of a = [2.87880588] Angstroms and c = 4.936123833391342 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.878786738608731, c = 4.701132830477242, total energy = -69.2769160593678

Attempting to perform relaxation using initial lattice constant guess of a = [2.87880588] Angstroms and c = 5.17117734926712 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.878786747198408, c = 4.701132810149735, total energy = -69.27691605936784

Attempting to perform relaxation using initial lattice constant guess of a = [2.87880588] Angstroms and c = 5.4062308651428985 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 2.878786727779226, c = 4.701132868545784, total energy = -69.27691605936776

Attempting to perform relaxation using initial lattice constant guess of a = [2.87880588] Angstroms and c = 5.641284381018677 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.276916
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.878786772154696, c = 4.701132759497767, total energy = -69.27691605936764

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

 Final lattice Constants:
   a = 2.8787867468644803 Angstroms, c = 4.7011328226826485 Angstroms, c/a = 1.633026

 Total energy: -69.27691605936789 eV

 Cohesive energy: -17.319229014841973 eV/atom

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