Element = Lattice = Model = Element: Es
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 11.75989999622107 Angstroms
Computed isolated atomic energy of 0.0 eV for species Es

==============================================================================
==============================================================================
 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 11.75989999622107 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.125 Angstroms and c = 1.8371173070873836 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.2094843946397305, total energy = -20.68610935915766

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: -20.686109
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 3.209484399791116, total energy = -20.686109359157648

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: -20.686109
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2094844155712092, total energy = -20.686109359157665

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: -20.686109
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2094843897793925, total energy = -20.686109359157694

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: -20.686109
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.209484385699034, total energy = -20.68610935915763

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: -20.686109
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.209484392311424, total energy = -20.686109359157683

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: -20.686109
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.209484415315096, total energy = -20.686109359157676

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: -20.686109
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 3.209484422730749, total energy = -20.686109359157662

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: -20.686109
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.2094843719154595, total energy = -20.68610935915755

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: -20.686109
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.2094844227191044, total energy = -20.68610935915763

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: -20.686109
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.2094843922532164, total energy = -20.6861093591577

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: -20.686109
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.209484397759662, total energy = -20.686109359157673

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: -20.686109
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.2094844141975054, total energy = -20.686109359157655

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: -20.686109
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.2094844150356954, total energy = -20.686109359157687

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: -20.686109
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 3.2094844258390376, total energy = -20.686109359157662

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: -20.686109
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.2094843743834645, total energy = -20.686109359157665

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: -20.686109
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.2094843897793908, total energy = -20.686109359157683

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: -20.686109
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.209484392032027, total energy = -20.68610935915763

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: -20.686109
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.209484385699034, total energy = -20.686109359157612

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: -20.686109
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.2094843978760754, total energy = -20.68610935915767

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: -20.686109
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.209484392311424, total energy = -20.686109359157683

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: -20.686109
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.2094843860715607, total energy = -20.686109359157577

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: -20.686109
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.2094844004139302, total energy = -20.686109359157633

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: -20.686109
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.2094844052335256, total energy = -20.686109359157697

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: -20.686109
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.2094844227307453, total energy = -20.686109359157644

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: -20.686109
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.20948439091444, total energy = -20.6861093591576

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: -20.686109
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.2094843677245057, total energy = -20.68610935915758

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: -20.686109
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.2094843895320073, total energy = -20.686109359157648

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: -20.686109
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2094844227191066, total energy = -20.686109359157616

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: -20.686109
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.2094843890983586, total energy = -20.686109359157605

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: -20.686109
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.2094843922532164, total energy = -20.686109359157715

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: -20.686109
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2094843842089134, total energy = -20.68610935915764

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: -20.686109
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2094843977596588, total energy = -20.686109359157683

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: -20.686109
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.20948437031475, total energy = -20.68610935915759

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: -20.686109
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.209484414197501, total energy = -20.686109359157655

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: -20.686109
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.209484385588439, total energy = -20.68610935915763

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: -20.686109
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.20948441503569, total energy = -20.68610935915766

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: -20.686109
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.209484406746922, total energy = -20.68610935915766

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: -20.686109
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.2094844155013496, total energy = -20.686109359157626

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: -20.686109
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.209484401019287, total energy = -20.686109359157648

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: -20.686109
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.2094843743834645, total energy = -20.68610935915764

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: -20.686109
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.209484385400718, total energy = -20.686109359157637

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: -20.686109
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2094843863742364, total energy = -20.68610935915759

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: -20.686109
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2094844520091943, total energy = -20.686109359157527

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: -20.686109
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.209484403661914, total energy = -20.68610935915763

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: -20.686109
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.209484384104144, total energy = -20.686109359157612

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: -20.686109
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.209484385699032, total energy = -20.68610935915761

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: -20.686109
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2094844300736374, total energy = -20.686109359157587

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: -20.686109
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2094843978760683, total energy = -20.68610935915765

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: -20.686109
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.20948439892381, total energy = -20.68610935915778

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: -20.686109
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.209484392311424, total energy = -20.686109359157687

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: -20.686109
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.2094844090795998, total energy = -20.686109359157633

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: -20.686109
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 3.20948438607155, total energy = -20.686109359157584

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: -20.686109
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.209484399470958, total energy = -20.686109359157655

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: -20.686109
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.209484415315088, total energy = -20.6861093591577

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: -20.686109
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.209484396968037, total energy = -20.68610935915762

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: -20.686109
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.2094843977422034, total energy = -20.686109359157715

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: -20.686109
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.2094844163162497, total energy = -20.68610935915764

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: -20.686109
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.209484422532832, total energy = -20.686109359157648

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

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.209484386452818, total energy = -20.686109359157562

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

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.20948439091444, total energy = -20.68610935915761

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

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.2094844025043177, total energy = -20.68610935915769

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

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.209484368562685, total energy = -20.686109359157616

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

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.209484402136868, total energy = -20.686109359157655

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

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.2094843924394767, total energy = -20.686109359157726

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

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.209484372055158, total energy = -20.686109359157555

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

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.209484422719111, total energy = -20.686109359157633

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 11.75989999622107 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 11.75989999622107 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 11.75989999622107 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 11.75989999622107 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 11.75989999622107 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 11.75989999622107 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 11.75989999622107 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 11.75989999622107 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 11.75989999622107 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 = 10.75 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 = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = 10.875 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 = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = 11.0 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 = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = 11.125 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 = 11.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1125000000000078 Angstroms and c = -1.816704892564203 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = 11.25 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 = 11.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.125 Angstroms and c = -1.8371173070873836 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = 11.375 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 = 11.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1374999999999922 Angstroms and c = -1.857529721610564 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = 11.5 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 = 11.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1500000000000234 Angstroms and c = -1.8779421361338082 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = 11.625 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 = 11.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1625000000000156 Angstroms and c = -1.8983545506569885 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = 11.75 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 = 11.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1750000000000078 Angstroms and c = -1.9187669651801689 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = 11.875 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 = 11.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1875 Angstroms and c = -1.9391793797033494 Angstroms; the model cutoff was estimated to be 11.75989999622107 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 = [3.2094844] Angstroms and c = 4.19285286121947 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.2094630615312125, c = 5.241135745179928, total energy = -20.68610939479293

Attempting to perform relaxation using initial lattice constant guess of a = [3.2094844] Angstroms and c = 4.454906165045687 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.2094630707412, c = 5.241135790610375, total energy = -20.68610939479298

Attempting to perform relaxation using initial lattice constant guess of a = [3.2094844] Angstroms and c = 4.716959468871903 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.209463051805022, c = 5.241135813657316, total energy = -20.686109394792908

Attempting to perform relaxation using initial lattice constant guess of a = [3.2094844] Angstroms and c = 4.97901277269812 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.20946307941945, c = 5.241135755490582, total energy = -20.686109394792922

Attempting to perform relaxation using initial lattice constant guess of a = [3.2094844] Angstroms and c = 5.241066076524336 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 3.209463049934884, c = 5.241135792515621, total energy = -20.68610939479294

Attempting to perform relaxation using initial lattice constant guess of a = [3.2094844] Angstroms and c = 5.503119380350553 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.2094630624476768, c = 5.241135739450069, total energy = -20.68610939479292

Attempting to perform relaxation using initial lattice constant guess of a = [3.2094844] Angstroms and c = 5.765172684176769 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 3.2094630499271397, c = 5.24113580056056, total energy = -20.6861093947929

Attempting to perform relaxation using initial lattice constant guess of a = [3.2094844] Angstroms and c = 6.027225988002986 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 3.209463059199778, c = 5.241135770162757, total energy = -20.686109394792922

Attempting to perform relaxation using initial lattice constant guess of a = [3.2094844] Angstroms and c = 6.289279291829202 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 79
         Function evaluations: 164
Results for this minimization:
  a = 3.2094630628609506, c = 5.241135817331391, total energy = -20.686109394792922

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

 Final lattice Constants:
   a = 3.2094630707412 Angstroms, c = 5.241135790610375 Angstroms, c/a = 1.633026

 Total energy: -20.68610939479298 eV

 Cohesive energy: -5.171527348698245 eV/atom

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