Element = Lattice = Model = Element: Xe
Lattice: hcp
Model: LJ_Shifted_Bernardes_1958MedCutoff_Xe__MO_849320763277_003
Computed model cutoff of 15.90000000238419 Angstroms
Computed isolated atomic energy of 0.0 eV for species Xe

==============================================================================
==============================================================================
 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 15.90000000238419 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 15.90000000238419 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.25 Angstroms and c = 2.041241452319315 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 1.375 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 = 1.375 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.375 Angstroms and c = 2.2453655975512468 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 1.5 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 = 1.5 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.5 Angstroms and c = 2.449489742783178 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.344856547424573, total energy = -0.6660797727522222

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: -0.666080
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.3448565468192095, total energy = -0.6660797727522201

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: -0.666080
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.344856526702642, total energy = -0.6660797727522203

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: -0.666080
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.3448565484955965, total energy = -0.6660797727522213

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: -0.666080
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.344856565492231, total energy = -0.6660797727522232

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: -0.666080
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.344856551289559, total energy = -0.6660797727522214

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: -0.666080
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.3448565450496925, total energy = -0.666079772752222

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: -0.666080
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.344856576761231, total energy = -0.6660797727522202

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: -0.666080
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 4.344856547797103, total energy = -0.6660797727522215

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: -0.666080
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.344856546947274, total energy = -0.6660797727522225

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: -0.666080
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.344856529636307, total energy = -0.6660797727522209

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: -0.666080
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.344856546819213, total energy = -0.6660797727522203

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: -0.666080
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.344856538809836, total energy = -0.6660797727522207

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: -0.666080
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.3448565474245715, total energy = -0.6660797727522219

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: -0.666080
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.344856557209279, total energy = -0.6660797727522211

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: -0.666080
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.3448565468192095, total energy = -0.6660797727522202

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: -0.666080
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.344856571982383, total energy = -0.6660797727522209

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: -0.666080
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.344856526702642, total energy = -0.6660797727522202

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: -0.666080
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.344856545049698, total energy = -0.6660797727522222

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: -0.666080
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.344856551289559, total energy = -0.6660797727522209

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: -0.666080
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 4.344856549892574, total energy = -0.6660797727522212

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: -0.666080
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.344856565492229, total energy = -0.6660797727522229

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: -0.666080
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.344856521231122, total energy = -0.6660797727522211

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: -0.666080
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 4.344856551341946, total energy = -0.6660797727522212

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: -0.666080
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 4.344856575185259, total energy = -0.6660797727522209

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: -0.666080
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.344856545049698, total energy = -0.6660797727522222

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: -0.666080
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.344856546819209, total energy = -0.6660797727522204

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: -0.666080
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.344856575131416, total energy = -0.6660797727522191

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: -0.666080
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.344856546985101, total energy = -0.6660797727522235

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: -0.666080
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.344856562465427, total energy = -0.6660797727522205

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: -0.666080
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.344856600998903, total energy = -0.6660797727522187

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: -0.666080
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.3448565816506735, total energy = -0.6660797727522202

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: -0.666080
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.344856504088966, total energy = -0.6660797727522193

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: -0.666080
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.344856529636304, total energy = -0.6660797727522205

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: -0.666080
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 4.344856558652826, total energy = -0.6660797727522192

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: -0.666080
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.344856555759902, total energy = -0.666079772752223

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: -0.666080
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.344856562465426, total energy = -0.6660797727522206

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: -0.666080
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.344856538809836, total energy = -0.6660797727522207

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: -0.666080
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.344856526702642, total energy = -0.6660797727522197

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: -0.666080
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.344856547424566, total energy = -0.6660797727522221

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: -0.666080
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.344856552733104, total energy = -0.6660797727522211

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: -0.666080
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.344856557209274, total energy = -0.6660797727522211

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: -0.666080
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.344856550917029, total energy = -0.6660797727522215

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: -0.666080
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.344856546819208, total energy = -0.6660797727522204

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: -0.666080
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.344856554782012, total energy = -0.6660797727522214

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: -0.666080
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.344856572151178, total energy = -0.6660797727522213

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: -0.666080
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.3448565728496735, total energy = -0.6660797727522213

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: -0.666080
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.344856526702642, total energy = -0.6660797727522201

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: -0.666080
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.344856548920509, total energy = -0.6660797727522236

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: -0.666080
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.344856545049687, total energy = -0.6660797727522216

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: -0.666080
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.344856531172983, total energy = -0.6660797727522213

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: -0.666080
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.344856550917026, total energy = -0.6660797727522221

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: -0.666080
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 4.344856506184442, total energy = -0.6660797727522183

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: -0.666080
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.344856546819213, total energy = -0.6660797727522203

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: -0.666080
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.344856520707243, total energy = -0.6660797727522207

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: -0.666080
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.344856586866076, total energy = -0.66607977275222

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: -0.666080
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.344856542086925, total energy = -0.6660797727522209

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: -0.666080
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.344856521231122, total energy = -0.6660797727522211

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: -0.666080
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.34485657368787, total energy = -0.6660797727522212

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: -0.666080
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.344856551289548, total energy = -0.666079772752222

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: -0.666080
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.344856592644638, total energy = -0.6660797727522194

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: -0.666080
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 4.344856575185255, total energy = -0.6660797727522199

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: -0.666080
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.34485652262083, total energy = -0.6660797727522205

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: -0.666080
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.344856545049701, total energy = -0.6660797727522215

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

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 4.344856553878333, total energy = -0.6660797727522225

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

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 4.344856548067756, total energy = -0.6660797727522243

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

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 4.344856568751854, total energy = -0.6660797727522232

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

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.344856575131416, total energy = -0.6660797727522191

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

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.34485656349571, total energy = -0.6660797727522201

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

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.344856598414468, total energy = -0.6660797727522179

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

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.344856566822266, total energy = -0.6660797727522246

Attempting to perform relaxation using initial lattice constant guess of a = 10.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 4.3448565311729865, total energy = -0.6660797727522207

Attempting to perform relaxation using initial lattice constant guess of a = 10.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.344856526702642, total energy = -0.6660797727522203

Attempting to perform relaxation using initial lattice constant guess of a = 10.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.344856600998907, total energy = -0.6660797727522193

Attempting to perform relaxation using initial lattice constant guess of a = 10.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.344856594770668, total energy = -0.6660797727522196

Attempting to perform relaxation using initial lattice constant guess of a = 11.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.344856583699576, total energy = -0.6660797727522201

Attempting to perform relaxation using initial lattice constant guess of a = 11.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.344856584926305, total energy = -0.6660797727522206

Attempting to perform relaxation using initial lattice constant guess of a = 11.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.344856508541852, total energy = -0.6660797727522164

Attempting to perform relaxation using initial lattice constant guess of a = 11.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.344856546819216, total energy = -0.6660797727522205

Attempting to perform relaxation using initial lattice constant guess of a = 11.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.344856529636293, total energy = -0.6660797727522199

Attempting to perform relaxation using initial lattice constant guess of a = 11.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.344856556868752, total energy = -0.6660797727522223

Attempting to perform relaxation using initial lattice constant guess of a = 11.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 84
Results for this minimization:
  a = 4.3448565589263985, total energy = -0.6660797727522199

Attempting to perform relaxation using initial lattice constant guess of a = 11.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 4.344856570154661, total energy = -0.66607977275222

Attempting to perform relaxation using initial lattice constant guess of a = 12.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.34485655128954, total energy = -0.6660797727522222

Attempting to perform relaxation using initial lattice constant guess of a = 12.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 4.344856565247023, total energy = -0.6660797727522187

Attempting to perform relaxation using initial lattice constant guess of a = 12.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.344856557901938, total energy = -0.6660797727522209

Attempting to perform relaxation using initial lattice constant guess of a = 12.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.344856534453705, total energy = -0.6660797727522201

Attempting to perform relaxation using initial lattice constant guess of a = 12.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.344856538809836, total energy = -0.666079772752221

Attempting to perform relaxation using initial lattice constant guess of a = 12.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.3448565345722985, total energy = -0.6660797727522205

Attempting to perform relaxation using initial lattice constant guess of a = 12.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 4.34485652781586, total energy = -0.6660797727522202

Attempting to perform relaxation using initial lattice constant guess of a = 12.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.344856572843844, total energy = -0.6660797727522204

Attempting to perform relaxation using initial lattice constant guess of a = 13.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.344856547424554, total energy = -0.6660797727522207

Attempting to perform relaxation using initial lattice constant guess of a = 13.125 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 = 13.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3125 Angstroms and c = -2.143303524935281 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 13.25 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 = 13.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3250000000000313 Angstroms and c = -2.163715939458525 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 13.375 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 = 13.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3375000000000057 Angstroms and c = -2.1841283539816763 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 13.5 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 = 13.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3500000000000156 Angstroms and c = -2.2045407685048857 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 13.625 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 = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 13.75 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 = 13.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.375 Angstroms and c = -2.2453655975512468 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 13.875 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 = 13.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3875000000000313 Angstroms and c = -2.265778012074491 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 14.0 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 = 14.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4000000000000057 Angstroms and c = -2.286190426597642 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 14.125 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 = 14.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4125000000000156 Angstroms and c = -2.3066028411208515 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 14.25 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 = 14.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4250000000000256 Angstroms and c = -2.327015255644061 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 14.375 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 = 14.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4375 Angstroms and c = -2.3474276701672125 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 14.5 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 = 14.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4500000000000313 Angstroms and c = -2.3678400846904566 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 14.625 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 = 14.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4625000000000057 Angstroms and c = -2.388252499213608 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 14.75 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 = 14.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4750000000000156 Angstroms and c = -2.4086649137368172 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 14.875 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 = 14.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4875000000000256 Angstroms and c = -2.4290773282600266 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 15.0 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 = 15.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5 Angstroms and c = -2.449489742783178 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 15.125 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 = 15.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5125000000000313 Angstroms and c = -2.4699021573064224 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 15.25 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 = 15.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5249999999999844 Angstroms and c = -2.490314571829539 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 15.375 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 = 15.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5375000000000156 Angstroms and c = -2.510726986352783 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 15.5 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 = 15.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.550000000000047 Angstroms and c = -2.531139400876027 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 15.625 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 = 15.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5625 Angstroms and c = -2.5515518153991437 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 15.75 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 = 15.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5750000000000313 Angstroms and c = -2.571964229922388 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 15.875 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 = 15.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5874999999999844 Angstroms and c = -2.5923766444455048 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = 16.0 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 = 16.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.6000000000000156 Angstroms and c = -2.612789058968749 Angstroms; the model cutoff was estimated to be 15.90000000238419 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 = [4.34485657] Angstroms and c = 5.676096850290813 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 4.344827643725037, c = 7.095215399068987, total energy = -0.6660797738998029

Attempting to perform relaxation using initial lattice constant guess of a = [4.34485657] Angstroms and c = 6.030852903433989 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 4.344827622804694, c = 7.095215434094738, total energy = -0.6660797738998026

Attempting to perform relaxation using initial lattice constant guess of a = [4.34485657] Angstroms and c = 6.385608956577165 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 4.344827637351061, c = 7.095215416315378, total energy = -0.6660797738998018

Attempting to perform relaxation using initial lattice constant guess of a = [4.34485657] Angstroms and c = 6.740365009720342 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 4.344827653084291, c = 7.095215456283205, total energy = -0.6660797738998018

Attempting to perform relaxation using initial lattice constant guess of a = [4.34485657] Angstroms and c = 7.095121062863518 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 4.344827648849217, c = 7.095215486034647, total energy = -0.666079773899803

Attempting to perform relaxation using initial lattice constant guess of a = [4.34485657] Angstroms and c = 7.449877116006694 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 4.344827666351767, c = 7.095215328004382, total energy = -0.6660797738998019

Attempting to perform relaxation using initial lattice constant guess of a = [4.34485657] Angstroms and c = 7.80463316914987 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 4.3448276232695235, c = 7.095215481867246, total energy = -0.666079773899803

Attempting to perform relaxation using initial lattice constant guess of a = [4.34485657] Angstroms and c = 8.159389222293047 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 4.344827670449861, c = 7.095215419620567, total energy = -0.6660797738998034

Attempting to perform relaxation using initial lattice constant guess of a = [4.34485657] Angstroms and c = 8.514145275436222 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.666080
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 4.344827643157883, c = 7.0952154202544335, total energy = -0.6660797738998029

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

 Final lattice Constants:
   a = 4.344827670449861 Angstroms, c = 7.095215419620567 Angstroms, c/a = 1.633026

 Total energy: -0.6660797738998034 eV

 Cohesive energy: -0.16651994347495086 eV/atom

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