Element = Lattice = Model = Element: Ne
Lattice: hcp
Model: LJ_Shifted_Bernardes_1958MedCutoff_Ne__MO_160637895352_003
Computed model cutoff of 10.89999999403956 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ne

==============================================================================
==============================================================================
 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 10.89999999403956 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: -0.103197
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.991182659612968, total energy = -0.1031965716923128

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: -0.103197
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9911826560273767, total energy = -0.10319657169231329

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: -0.103197
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.99118264969439, total energy = -0.10319657169231339

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: -0.103197
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.991182683780793, total energy = -0.10319657169231256

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: -0.103197
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.991182661894711, total energy = -0.10319657169231318

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: -0.103197
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.991182655747981, total energy = -0.10319657169231335

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: -0.103197
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9911826632451266, total energy = -0.10319657169231278

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: -0.103197
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.991182622127236, total energy = -0.10319657169231285

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: -0.103197
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9911826096475136, total energy = -0.1031965716923128

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: -0.103197
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.991182659612969, total energy = -0.10319657169231285

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: -0.103197
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9911826387047755, total energy = -0.10319657169231311

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: -0.103197
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.991182655096054, total energy = -0.10319657169231329

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: -0.103197
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.991182662267238, total energy = -0.10319657169231308

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: -0.103197
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9911826496943847, total energy = -0.10319657169231344

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: -0.103197
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.9911826696479693, total energy = -0.10319657169231286

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: -0.103197
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.9911826838506386, total energy = -0.1031965716923125

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: -0.103197
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.991182655096054, total energy = -0.1031965716923133

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: -0.103197
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9911826658295455, total energy = -0.10319657169231343

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: -0.103197
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.991182664223015, total energy = -0.1031965716923128

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: -0.103197
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.991182655096054, total energy = -0.10319657169231329

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: -0.103197
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.991182673993169, total energy = -0.10319657169231286

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: -0.103197
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9911826632451266, total energy = -0.10319657169231282

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: -0.103197
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9911826534778783, total energy = -0.10319657169231289

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: -0.103197
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9911826822906735, total energy = -0.10319657169231293

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: -0.103197
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.99118266045116, total energy = -0.10319657169231297

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: -0.103197
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9911826616968002, total energy = -0.10319657169231325

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: -0.103197
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.991182661615312, total energy = -0.10319657169231332

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: -0.103197
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.991182622313496, total energy = -0.10319657169231256

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: -0.103197
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9911826686002305, total energy = -0.10319657169231308

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: -0.103197
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.991182638704778, total energy = -0.103196571692313

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: -0.103197
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.991182681493225, total energy = -0.10319657169231285

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: -0.103197
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9911826560273767, total energy = -0.10319657169231326

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: -0.103197
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9911826637107835, total energy = -0.10319657169231294

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: -0.103197
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9911826348863526, total energy = -0.10319657169231305

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: -0.103197
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.991182649042459, total energy = -0.10319657169231297

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: -0.103197
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.991182649694381, total energy = -0.10319657169231349

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: -0.103197
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.991182670404669, total energy = -0.10319657169231307

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: -0.103197
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.991182681161439, total energy = -0.10319657169231307

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: -0.103197
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9911826772615293, total energy = -0.10319657169231271

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: -0.103197
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9911826848983694, total energy = -0.10319657169231253

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: -0.103197
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.991182654240399, total energy = -0.10319657169231337

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: -0.103197
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.991182655096054, total energy = -0.10319657169231324

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: -0.103197
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.991182660385674, total energy = -0.10319657169231318

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: -0.103197
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.99118266582954, total energy = -0.10319657169231333

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: -0.103197
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.99118264768039, total energy = -0.1031965716923132

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: -0.103197
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9911826642230115, total energy = -0.10319657169231293

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: -0.103197
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.991182668294641, total energy = -0.10319657169231317

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: -0.103197
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9911826550960523, total energy = -0.1031965716923132

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: -0.103197
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.991182659385953, total energy = -0.10319657169231305

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: -0.103197
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.9911826726427444, total energy = -0.10319657169231301

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: -0.103197
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.991182635026048, total energy = -0.10319657169231333

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: -0.103197
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.9911826639436185, total energy = -0.10319657169231286

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: -0.103197
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9911826562136454, total energy = -0.10319657169231304

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: -0.103197
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.9911826534778676, total energy = -0.103196571692313

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: -0.103197
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.9911826378200104, total energy = -0.10319657169231308

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: -0.103197
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9911826426163275, total energy = -0.10319657169231311

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: -0.103197
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9911826493334956, total energy = -0.1031965716923133

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: -0.103197
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.991182661987846, total energy = -0.103196571692313

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: -0.103197
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.9911826657422216, total energy = -0.10319657169231325

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: -0.103197
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.991182609647503, total energy = -0.10319657169231258

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: -0.103197
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.991182670718986, total energy = -0.10319657169231325

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: -0.103197
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 2.991182664874941, total energy = -0.10319657169231335

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: -0.103197
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.9911826651135978, total energy = -0.10319657169231297

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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 10.89999999403956 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 = [2.99118265] Angstroms and c = 3.9076646502492776 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.103197
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.9911627580626616, c = 4.884645813088957, total energy = -0.10319657187018827

Attempting to perform relaxation using initial lattice constant guess of a = [2.99118265] Angstroms and c = 4.151893690889858 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.103197
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.9911627345223355, c = 4.884645889393014, total energy = -0.10319657187018808

Attempting to perform relaxation using initial lattice constant guess of a = [2.99118265] Angstroms and c = 4.396122731530438 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.103197
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.991162769574585, c = 4.884645727429842, total energy = -0.10319657187018816

Attempting to perform relaxation using initial lattice constant guess of a = [2.99118265] Angstroms and c = 4.640351772171018 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.103197
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.991162767837275, c = 4.884645761662492, total energy = -0.10319657187018826

Attempting to perform relaxation using initial lattice constant guess of a = [2.99118265] Angstroms and c = 4.884580812811597 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.103197
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.9911627835987984, c = 4.884645819535555, total energy = -0.10319657187018838

Attempting to perform relaxation using initial lattice constant guess of a = [2.99118265] Angstroms and c = 5.128809853452178 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.103197
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 2.991162781033461, c = 4.884645730409911, total energy = -0.1031965718701883

Attempting to perform relaxation using initial lattice constant guess of a = [2.99118265] Angstroms and c = 5.373038894092758 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.103197
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.9911627654337227, c = 4.884645818959157, total energy = -0.10319657187018838

Attempting to perform relaxation using initial lattice constant guess of a = [2.99118265] Angstroms and c = 5.617267934733338 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.103197
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.991162761852008, c = 4.884645724240117, total energy = -0.10319657187018837

Attempting to perform relaxation using initial lattice constant guess of a = [2.99118265] Angstroms and c = 5.8614969753739175 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.103197
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.9911627935448144, c = 4.8846456953976, total energy = -0.10319657187018778

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

 Final lattice Constants:
   a = 2.9911627835987984 Angstroms, c = 4.884645819535555 Angstroms, c/a = 1.633026

 Total energy: -0.10319657187018838 eV

 Cohesive energy: -0.025799142967547095 eV/atom

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