Element = Lattice = Model = Element: Fr
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 18.530699995606906 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fr

==============================================================================
==============================================================================
 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 18.530699995606906 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 18.530699995606906 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 18.530699995606906 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 18.530699995606906 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 18.530699995606906 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.625 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.625 Angstroms and c = 2.6536138880151094 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 1.75 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 = 1.75 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.75 Angstroms and c = 2.857738033247041 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 5.057358451187611, total energy = -12.489876061591264

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: -12.489876
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 5.057358438707896, total energy = -12.489876061591223

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: -12.489876
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.05735846012831, total energy = -12.489876061591268

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: -12.489876
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.057358460128308, total energy = -12.489876061591263

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: -12.489876
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.057358417194331, total energy = -12.489876061591191

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: -12.489876
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 5.057358427788131, total energy = -12.489876061591202

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: -12.489876
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 5.0573584601283095, total energy = -12.489876061591268

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: -12.489876
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 5.0573583424091435, total energy = -12.489876061591128

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: -12.489876
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 5.057358427904548, total energy = -12.489876061591215

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: -12.489876
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 5.057358415145432, total energy = -12.489876061591186

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: -12.489876
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 5.057358432095498, total energy = -12.489876061591204

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: -12.489876
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.057358451187614, total energy = -12.48987606159126

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: -12.489876
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 5.05735843162984, total energy = -12.489876061591191

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: -12.489876
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 5.057358434051277, total energy = -12.489876061591268

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: -12.489876
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 5.0573584560304905, total energy = -12.489876061591211

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: -12.489876
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.057358451187611, total energy = -12.48987606159126

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: -12.489876
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.057358426414431, total energy = -12.48987606159124

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: -12.489876
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 5.057358438428494, total energy = -12.489876061591248

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: -12.489876
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 5.0573584643192575, total energy = -12.489876061591225

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: -12.489876
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 5.05735846012831, total energy = -12.48987606159127

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: -12.489876
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.057358432095498, total energy = -12.489876061591206

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: -12.489876
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 5.057358428277076, total energy = -12.48987606159124

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: -12.489876
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 5.057358466088772, total energy = -12.489876061591273

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: -12.489876
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 5.057358417194335, total energy = -12.489876061591191

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: -12.489876
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 5.057358451187612, total energy = -12.489876061591266

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: -12.489876
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 5.057358428777661, total energy = -12.489876061591243

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: -12.489876
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 5.057358498743267, total energy = -12.489876061591177

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: -12.489876
         Iterations: 34
         Function evaluations: 77
Results for this minimization:
  a = 5.057358460128306, total energy = -12.489876061591255

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: -12.489876
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.057358450011815, total energy = -12.489876061591232

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: -12.489876
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.057358451001345, total energy = -12.489876061591227

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: -12.489876
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.057358430582099, total energy = -12.489876061591243

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: -12.489876
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 5.05735843218863, total energy = -12.48987606159121

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: -12.489876
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 5.057358413096517, total energy = -12.489876061591202

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: -12.489876
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 5.057358427997676, total energy = -12.489876061591248

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: -12.489876
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.0573584588244564, total energy = -12.48987606159122

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: -12.489876
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.057358432095498, total energy = -12.489876061591206

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: -12.489876
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 5.057358460128304, total energy = -12.489876061591254

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: -12.489876
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 5.057358451187611, total energy = -12.489876061591257

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: -12.489876
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.057358421757814, total energy = -12.48987606159126

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: -12.489876
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 5.057358431629833, total energy = -12.489876061591186

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: -12.489876
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 5.057358417194337, total energy = -12.489876061591195

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: -12.489876
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 5.057358434051274, total energy = -12.489876061591255

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: -12.489876
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 5.057358420733358, total energy = -12.48987606159122

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: -12.489876
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 5.057358435099008, total energy = -12.489876061591222

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: -12.489876
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 5.057358433480839, total energy = -12.48987606159125

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: -12.489876
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 5.057358451187611, total energy = -12.48987606159127

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: -12.489876
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 5.057358394865879, total energy = -12.489876061591248

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: -12.489876
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 5.057358426775308, total energy = -12.48987606159124

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: -12.489876
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.057358448393638, total energy = -12.489876061591248

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: -12.489876
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 5.057358438149091, total energy = -12.489876061591207

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: -12.489876
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 5.057358451187611, total energy = -12.489876061591264

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: -12.489876
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 5.057358461245898, total energy = -12.48987606159122

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: -12.489876
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 5.057358467334407, total energy = -12.489876061591225

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: -12.489876
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 5.057358460128303, total energy = -12.48987606159125

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: -12.489876
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 5.057358419336377, total energy = -12.489876061591252

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: -12.489876
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.057358432095498, total energy = -12.489876061591197

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: -12.489876
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 5.057358398247747, total energy = -12.489876061591204

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: -12.489876
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 5.057358460128299, total energy = -12.489876061591245

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: -12.489876
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.057358472794286, total energy = -12.489876061591175

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: -12.489876
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.057358466088768, total energy = -12.48987606159128

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: -12.489876
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 5.057358448393643, total energy = -12.489876061591252

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: -12.489876
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.057358417139041, total energy = -12.489876061591197

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: -12.489876
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 5.0573584510013365, total energy = -12.489876061591227

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: -12.489876
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.057358451187605, total energy = -12.489876061591268

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: -12.489876
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.057358417753125, total energy = -12.48987606159123

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: -12.489876
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 5.057358427904546, total energy = -12.48987606159121

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: -12.489876
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.057358480899714, total energy = -12.489876061591245

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: -12.489876
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 5.05735845781454, total energy = -12.489876061591241

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: -12.489876
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.057358442095568, total energy = -12.489876061591264

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: -12.489876
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 5.057358460128302, total energy = -12.489876061591248

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: -12.489876
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.057358510792255, total energy = -12.489876061591177

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: -12.489876
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.057358450011819, total energy = -12.489876061591234

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: -12.489876
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 5.0573584339806885, total energy = -12.489876061591229

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: -12.489876
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.057358342409126, total energy = -12.48987606159113

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: -12.489876
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 5.057358426763672, total energy = -12.489876061591211

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: -12.489876
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.057358430582099, total energy = -12.489876061591241

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: -12.489876
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 5.057358445928552, total energy = -12.48987606159127

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: -12.489876
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 5.057358432188619, total energy = -12.489876061591238

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: -12.489876
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 5.057358453841873, total energy = -12.489876061591247

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: -12.489876
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 5.057358391278827, total energy = -12.48987606159118

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: -12.489876
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.057358461432159, total energy = -12.489876061591168

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: -12.489876
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 5.057358437776549, total energy = -12.489876061591202

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: -12.489876
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 5.057358408905561, total energy = -12.489876061591188

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: -12.489876
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.057358459394884, total energy = -12.489876061591206

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: -12.489876
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.057358437235223, total energy = -12.489876061591234

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: -12.489876
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 5.057358432095498, total energy = -12.489876061591199

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: -12.489876
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 5.057358405739053, total energy = -12.48987606159122

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: -12.489876
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.057358460128302, total energy = -12.48987606159125

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: -12.489876
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 5.05735838469117, total energy = -12.489876061591183

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: -12.489876
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.057358451187598, total energy = -12.489876061591255

Attempting to perform relaxation using initial lattice constant guess of a = 13.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 5.057358448393643, total energy = -12.489876061591247

Attempting to perform relaxation using initial lattice constant guess of a = 13.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 5.0573584217578, total energy = -12.489876061591271

Attempting to perform relaxation using initial lattice constant guess of a = 13.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 5.057358479197135, total energy = -12.48987606159119

Attempting to perform relaxation using initial lattice constant guess of a = 13.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.057358421571543, total energy = -12.489876061591213

Attempting to perform relaxation using initial lattice constant guess of a = 13.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.057358455064228, total energy = -12.489876061591211

Attempting to perform relaxation using initial lattice constant guess of a = 13.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 5.057358417194337, total energy = -12.48987606159119

Attempting to perform relaxation using initial lattice constant guess of a = 13.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 5.05735844325971, total energy = -12.489876061591259

Attempting to perform relaxation using initial lattice constant guess of a = 14.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 5.057358434051272, total energy = -12.489876061591257

Attempting to perform relaxation using initial lattice constant guess of a = 14.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 5.05735842883586, total energy = -12.489876061591206

Attempting to perform relaxation using initial lattice constant guess of a = 14.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 5.057358441967501, total energy = -12.489876061591255

Attempting to perform relaxation using initial lattice constant guess of a = 14.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 5.0573584894882515, total energy = -12.489876061591195

Attempting to perform relaxation using initial lattice constant guess of a = 14.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 5.057358458056095, total energy = -12.489876061591229

Attempting to perform relaxation using initial lattice constant guess of a = 14.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.0573584461933905, total energy = -12.489876061591211

Attempting to perform relaxation using initial lattice constant guess of a = 14.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.05735843210713, total energy = -12.48987606159122

Attempting to perform relaxation using initial lattice constant guess of a = 14.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 5.0573584601282935, total energy = -12.48987606159124

Attempting to perform relaxation using initial lattice constant guess of a = 15.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 5.057358451187611, total energy = -12.489876061591257

Attempting to perform relaxation using initial lattice constant guess of a = 15.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.057358475588244, total energy = -12.489876061591257

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 18.530699995606906 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 18.530699995606906 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 18.530699995606906 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 18.530699995606906 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 18.530699995606906 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 18.530699995606906 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 18.530699995606906 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 = 16.125 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 = 16.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.612500000000047 Angstroms and c = -2.633201473491993 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 16.25 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 = 16.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.625 Angstroms and c = -2.6536138880151094 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 16.375 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 = 16.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.6375000000000313 Angstroms and c = -2.674026302538354 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 16.5 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 = 16.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.6499999999999844 Angstroms and c = -2.6944387170614705 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 16.625 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 = 16.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.6625000000000156 Angstroms and c = -2.7148511315847146 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 16.75 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 = 16.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.675000000000047 Angstroms and c = -2.7352635461079586 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 16.875 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 = 16.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.6875 Angstroms and c = -2.7556759606310752 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 17.0 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 = 17.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7000000000000313 Angstroms and c = -2.7760883751543197 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 17.125 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 = 17.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7124999999999844 Angstroms and c = -2.7965007896774363 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 17.25 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 = 17.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7250000000000156 Angstroms and c = -2.8169132042006804 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 17.375 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 = 17.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.737500000000047 Angstroms and c = -2.8373256187239244 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 17.5 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 = 17.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.75 Angstroms and c = -2.857738033247041 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 17.625 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 = 17.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7625000000000313 Angstroms and c = -2.8781504477702855 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 17.75 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 = 17.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7749999999999844 Angstroms and c = -2.898562862293402 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 17.875 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 = 17.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7875000000000156 Angstroms and c = -2.918975276816646 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 18.0 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 = 18.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.800000000000047 Angstroms and c = -2.93938769133989 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 18.125 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 = 18.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.8125 Angstroms and c = -2.959800105863007 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 18.25 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 = 18.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.8250000000000313 Angstroms and c = -2.9802125203862513 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 18.375 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 = 18.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.8374999999999844 Angstroms and c = -3.0006249349093674 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 18.5 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 = 18.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.8500000000000156 Angstroms and c = -3.021037349432612 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = 18.625 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 = 18.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.862500000000047 Angstroms and c = -3.041449763955856 Angstroms; the model cutoff was estimated to be 18.530699995606906 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 = [5.05735847] Angstroms and c = 6.60690543373979 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 71
         Function evaluations: 158
Results for this minimization:
  a = 5.057324830857178, c = 8.258741624950966, total energy = -12.4898760831071

Attempting to perform relaxation using initial lattice constant guess of a = [5.05735847] Angstroms and c = 7.019837023348527 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 5.057324807227179, c = 8.258741473222859, total energy = -12.489876083107093

Attempting to perform relaxation using initial lattice constant guess of a = [5.05735847] Angstroms and c = 7.432768612957265 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 5.0573248440607195, c = 8.25874151318425, total energy = -12.489876083107122

Attempting to perform relaxation using initial lattice constant guess of a = [5.05735847] Angstroms and c = 7.845700202566002 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 5.057324815568271, c = 8.25874160065565, total energy = -12.489876083107111

Attempting to perform relaxation using initial lattice constant guess of a = [5.05735847] Angstroms and c = 8.25863179217474 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 5.057324858020062, c = 8.25874151121058, total energy = -12.489876083107072

Attempting to perform relaxation using initial lattice constant guess of a = [5.05735847] Angstroms and c = 8.671563381783477 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 78
         Function evaluations: 160
Results for this minimization:
  a = 5.057324820123083, c = 8.258741571430406, total energy = -12.489876083107132

Attempting to perform relaxation using initial lattice constant guess of a = [5.05735847] Angstroms and c = 9.084494971392214 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 5.057324782020084, c = 8.258741472237077, total energy = -12.489876083107106

Attempting to perform relaxation using initial lattice constant guess of a = [5.05735847] Angstroms and c = 9.497426561000951 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 5.057324845902721, c = 8.258741524868903, total energy = -12.489876083107154

Attempting to perform relaxation using initial lattice constant guess of a = [5.05735847] Angstroms and c = 9.910358150609689 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.489876
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 5.0573247925483695, c = 8.258741580675622, total energy = -12.489876083107148

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

 Final lattice Constants:
   a = 5.057324845902721 Angstroms, c = 8.258741524868903 Angstroms, c/a = 1.633026

 Total energy: -12.489876083107154 eV

 Cohesive energy: -3.1224690207767885 eV/atom

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