Element = Lattice = Model = Element: Os
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.26320000387732 Angstroms
Computed isolated atomic energy of 0.0 eV for species Os

==============================================================================
==============================================================================
 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 10.26320000387732 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: -141.977703
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8010024160146703, total energy = -141.9777032519951

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: -141.977703
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.801002386957407, total energy = -141.97770325199576

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: -141.977703
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.801002389565116, total energy = -141.9777032519954

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: -141.977703
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8010023924056475, total energy = -141.9777032519957

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: -141.977703
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8010023886337896, total energy = -141.97770325199565

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: -141.977703
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.801002390601208, total energy = -141.97770325199548

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: -141.977703
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.801002386957407, total energy = -141.9777032519958

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: -141.977703
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8010023951530476, total energy = -141.97770325199525

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: -141.977703
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8010023903101695, total energy = -141.97770325199585

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: -141.977703
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 2.801002393383533, total energy = -141.97770325199593

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: -141.977703
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8010024003684517, total energy = -141.97770325199528

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: -141.977703
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.801002386957407, total energy = -141.97770325199585

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: -141.977703
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.8010023841634393, total energy = -141.9777032519955

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: -141.977703
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.80100238956511, total energy = -141.97770325199556

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: -141.977703
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.801002386398613, total energy = -141.97770325199582

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: -141.977703
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8010023933835324, total energy = -141.977703251996

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: -141.977703
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.801002377527766, total energy = -141.97770325199545

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: -141.977703
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.801002388633787, total energy = -141.9777032519957

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: -141.977703
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8010023841634384, total energy = -141.97770325199542

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: -141.977703
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8010023906826964, total energy = -141.97770325199534

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: -141.977703
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.801002404652534, total energy = -141.97770325199554

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: -141.977703
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.801002386957407, total energy = -141.97770325199585

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: -141.977703
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8010023869574034, total energy = -141.97770325199573

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: -141.977703
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.801002393662929, total energy = -141.97770325199534

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: -141.977703
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8010023998096605, total energy = -141.97770325199542

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: -141.977703
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.801002390310166, total energy = -141.9777032519957

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: -141.977703
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.8010023841634393, total energy = -141.97770325199545

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: -141.977703
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.801002384163435, total energy = -141.97770325199534

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: -141.977703
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8010023886337865, total energy = -141.9777032519956

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: -141.977703
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8010023896960794, total energy = -141.97770325199556

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: -141.977703
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8010023886337843, total energy = -141.9777032519955

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: -141.977703
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.801002386957407, total energy = -141.9777032519959

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: -141.977703
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8010024110786573, total energy = -141.97770325199576

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: -141.977703
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8010023841634375, total energy = -141.97770325199537

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: -141.977703
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.801002385769972, total energy = -141.97770325199548

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: -141.977703
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8010023895651064, total energy = -141.97770325199573

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: -141.977703
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.801002385211177, total energy = -141.9777032519959

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: -141.977703
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.801002386398607, total energy = -141.97770325199562

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: -141.977703
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.801002390123902, total energy = -141.97770325199534

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: -141.977703
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.8010023801121786, total energy = -141.97770325199534

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: -141.977703
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.8010023773182153, total energy = -141.97770325199582

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: -141.977703
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.801002377527766, total energy = -141.97770325199545

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: -141.977703
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8010023903101673, total energy = -141.97770325199582

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: -141.977703
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.801002388633781, total energy = -141.97770325199545

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: -141.977703
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.801002372521899, total energy = -141.97770325199528

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: -141.977703
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8010023838491134, total energy = -141.97770325199545

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: -141.977703
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.801002360880375, total energy = -141.9777032519952

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: -141.977703
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8010023906826955, total energy = -141.97770325199528

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: -141.977703
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8010023924056378, total energy = -141.97770325199568

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: -141.977703
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.801002387097097, total energy = -141.97770325199502

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: -141.977703
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8010023919399787, total energy = -141.97770325199548

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: -141.977703
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.801002386957407, total energy = -141.97770325199582

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: -141.977703
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.801002398598944, total energy = -141.97770325199522

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: -141.977703
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.801002386957393, total energy = -141.9777032519955

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: -141.977703
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.801002381596472, total energy = -141.97770325199548

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: -141.977703
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.80100236088037, total energy = -141.97770325199517

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: -141.977703
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.801002391963266, total energy = -141.97770325199565

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: -141.977703
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8010023967362994, total energy = -141.97770325199537

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: -141.977703
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.8010023931841586, total energy = -141.97770325199517

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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 10.26320000387732 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 = [2.80100239] Angstroms and c = 3.659214203788851 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -141.977703
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.800983753456208, c = 4.5740785964678, total energy = -141.97770349657546

Attempting to perform relaxation using initial lattice constant guess of a = [2.80100239] Angstroms and c = 3.887915091525654 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -141.977703
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.800983738160921, c = 4.5740786849044355, total energy = -141.97770349657483

Attempting to perform relaxation using initial lattice constant guess of a = [2.80100239] Angstroms and c = 4.116615979262457 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -141.977703
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.8009837688935537, c = 4.574078597642703, total energy = -141.97770349657537

Attempting to perform relaxation using initial lattice constant guess of a = [2.80100239] Angstroms and c = 4.34531686699926 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -141.977703
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.800983789811574, c = 4.5740785611646135, total energy = -141.97770349657526

Attempting to perform relaxation using initial lattice constant guess of a = [2.80100239] Angstroms and c = 4.574017754736063 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -141.977703
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.8009837459387117, c = 4.574078603953366, total energy = -141.97770349657557

Attempting to perform relaxation using initial lattice constant guess of a = [2.80100239] Angstroms and c = 4.8027186424728665 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -141.977703
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.8009837603716594, c = 4.57407852666942, total energy = -141.97770349657554

Attempting to perform relaxation using initial lattice constant guess of a = [2.80100239] Angstroms and c = 5.03141953020967 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -141.977703
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.800983779205197, c = 4.574078579762367, total energy = -141.9777034965756

Attempting to perform relaxation using initial lattice constant guess of a = [2.80100239] Angstroms and c = 5.260120417946473 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -141.977703
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.800983749862733, c = 4.5740785819720085, total energy = -141.97770349657569

Attempting to perform relaxation using initial lattice constant guess of a = [2.80100239] Angstroms and c = 5.488821305683276 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -141.977703
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.800983749023601, c = 4.57407864195039, total energy = -141.97770349657554

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

 Final lattice Constants:
   a = 2.800983749862733 Angstroms, c = 4.5740785819720085 Angstroms, c/a = 1.633026

 Total energy: -141.97770349657569 eV

 Cohesive energy: -35.49442587414392 eV/atom

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