Element = Lattice = Model = Element: Xe
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 9.978070002794267 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))

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7231989013031157, total energy = -0.795668691826716

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.723198878392577, total energy = -0.7956686918267157

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7231989204883575, total energy = -0.795668691826714

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.72319888421335, total energy = -0.7956686918267178

Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.7231989264488243, total energy = -0.795668691826713

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: -0.795669
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.72319889731589, total energy = -0.7956686918267184

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: -0.795669
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.723198886681349, total energy = -0.7956686918267167

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: -0.795669
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.723198868246982, total energy = -0.7956686918267196

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: -0.795669
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.723198882490398, total energy = -0.7956686918267181

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: -0.795669
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7231988924497283, total energy = -0.7956686918267166

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: -0.795669
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.7231988784449648, total energy = -0.795668691826716

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: -0.795669
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7231988720595828, total energy = -0.7956686918267213

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: -0.795669
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7231989204883575, total energy = -0.7956686918267138

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: -0.795669
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.7231989266932946, total energy = -0.7956686918267138

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: -0.795669
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7231988755054775, total energy = -0.7956686918267202

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: -0.795669
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7231988870276838, total energy = -0.7956686918267166

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: -0.795669
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.723198926448821, total energy = -0.795668691826713

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: -0.795669
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7231988875428215, total energy = -0.7956686918267173

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: -0.795669
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7231988949701194, total energy = -0.7956686918267175

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: -0.795669
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7231988834217185, total energy = -0.7956686918267231

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: -0.795669
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.723198886681347, total energy = -0.7956686918267157

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: -0.795669
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7231988916348184, total energy = -0.795668691826717

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: -0.795669
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.723198868246982, total energy = -0.7956686918267195

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: -0.795669
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7231988823041284, total energy = -0.7956686918267171

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: -0.795669
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.723198882490395, total energy = -0.7956686918267172

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: -0.795669
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7231988621875662, total energy = -0.7956686918267167

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: -0.795669
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7231988920539125, total energy = -0.7956686918267162

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: -0.795669
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.723198853433132, total energy = -0.7956686918267131

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: -0.795669
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7231988681247423, total energy = -0.7956686918267166

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: -0.795669
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.723198888015758, total energy = -0.7956686918267188

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: -0.795669
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7231988716172073, total energy = -0.795668691826719

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: -0.795669
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.723198897391555, total energy = -0.7956686918267176

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: -0.795669
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7231989204883575, total energy = -0.7956686918267144

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: -0.795669
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7231988784522345, total energy = -0.7956686918267183

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: -0.795669
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.7231989266932928, total energy = -0.7956686918267132

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: -0.795669
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.723198873766526, total energy = -0.7956686918267171

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: -0.795669
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.723198875505474, total energy = -0.7956686918267191

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: -0.795669
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.7231988684652606, total energy = -0.7956686918267157

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: -0.795669
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7231988774554283, total energy = -0.7956686918267205

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: -0.795669
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.723198879696427, total energy = -0.7956686918267155

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: -0.795669
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7231989264488137, total energy = -0.7956686918267123

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: -0.795669
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.723198885540474, total energy = -0.7956686918267188

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: -0.795669
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7231988875428215, total energy = -0.7956686918267173

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: -0.795669
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7231988862898997, total energy = -0.7956686918267225

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: -0.795669
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.7231988728744847, total energy = -0.7956686918267167

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: -0.795669
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7231988758779977, total energy = -0.7956686918267181

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: -0.795669
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.723198883421715, total energy = -0.7956686918267235

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: -0.795669
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.723198875937669, total energy = -0.7956686918267178

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: -0.795669
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.723198886681347, total energy = -0.7956686918267162

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: -0.795669
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.723198891524218, total energy = -0.7956686918267208

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: -0.795669
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.723198881169074, total energy = -0.7956686918267188

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: -0.795669
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.723198900627899, total energy = -0.7956686918267201

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: -0.795669
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.723198868246982, total energy = -0.7956686918267191

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: -0.795669
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.723198869376215, total energy = -0.7956686918267185

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: -0.795669
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.723198877251693, total energy = -0.7956686918267203

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: -0.795669
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 2.723198883421711, total energy = -0.7956686918267236

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: -0.795669
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.7231988782063077, total energy = -0.7956686918267174

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: -0.795669
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7231988908461062, total energy = -0.7956686918267207

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 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 = 8.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8249999999999922 Angstroms and c = -1.3472193585307353 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.375 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 = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8500000000000156 Angstroms and c = -1.3880441875771599 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9125000000000156 Angstroms and c = -1.4901062601931256 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9250000000000078 Angstroms and c = -1.510518674716306 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9375 Angstroms and c = -1.5309310892394863 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9499999999999922 Angstroms and c = -1.5513435037626666 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9750000000000156 Angstroms and c = -1.5921683328090912 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9875000000000078 Angstroms and c = -1.6125807473322717 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 9.978070002794267 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 3.5575721240000453 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.723180781382306, c = 4.4470242924845085, total energy = -0.7956686931973912

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 3.779920381750048 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.7231807782057293, c = 4.4470242689675965, total energy = -0.7956686931973909

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 4.002268639500051 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.723180767092963, c = 4.44702430759118, total energy = -0.795668693197389

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 4.224616897250054 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.7231807794731293, c = 4.447024285808062, total energy = -0.7956686931973928

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 4.446965155000057 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 66
         Function evaluations: 140
Results for this minimization:
  a = 2.7231807984928342, c = 4.447024191641356, total energy = -0.7956686931973862

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 4.66931341275006 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 2.723180778923413, c = 4.447024245829596, total energy = -0.7956686931973879

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 4.891661670500063 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 2.723180796339386, c = 4.447024268961585, total energy = -0.795668693197391

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 5.1140099282500655 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 79
         Function evaluations: 162
Results for this minimization:
  a = 2.7231807946262987, c = 4.4470242788785725, total energy = -0.7956686931973903

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 5.336358186000068 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.795669
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.7231808059441507, c = 4.447024297449375, total energy = -0.795668693197388

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

 Final lattice Constants:
   a = 2.7231807794731293 Angstroms, c = 4.447024285808062 Angstroms, c/a = 1.633026

 Total energy: -0.7956686931973928 eV

 Cohesive energy: -0.1989171732993482 eV/atom

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