Element = Lattice = Model = Element: Tb
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 13.826700002551084 Angstroms
Computed isolated atomic energy of 0.0 eV for species Tb

==============================================================================
==============================================================================
 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 13.826700002551084 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 13.826700002551084 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 13.826700002551084 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 13.826700002551084 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))

Optimization terminated successfully.
         Current function value: -46.631272
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7735734520945754, total energy = -46.6312721930211

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: -46.631272
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7735734023153813, total energy = -46.63127219302152

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: -46.631272
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.773573416098953, total energy = -46.63127219302132

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: -46.631272
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7735734321177006, total energy = -46.63127219302132

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: -46.631272
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.7735734537243886, total energy = -46.63127219302115

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: -46.631272
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.7735734137648267, total energy = -46.63127219302131

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: -46.631272
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.773573428206146, total energy = -46.63127219302128

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: -46.631272
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.7735733937472067, total energy = -46.63127219302123

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: -46.631272
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7735734656453133, total energy = -46.63127219302119

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: -46.631272
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7735734656453155, total energy = -46.631272193021225

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: -46.631272
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 3.773573398310695, total energy = -46.631272193021225

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: -46.631272
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.77357342474279, total energy = -46.631272193021395

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: -46.631272
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.773573452094572, total energy = -46.6312721930211

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: -46.631272
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.77357343219046, total energy = -46.631272193021445

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: -46.631272
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.7735734222922486, total energy = -46.631272193021424

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: -46.631272
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.7735734211863026, total energy = -46.63127219302136

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: -46.631272
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.773573416098953, total energy = -46.63127219302129

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: -46.631272
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.773573421186302, total energy = -46.63127219302134

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: -46.631272
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.7735734321177006, total energy = -46.63127219302134

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: -46.631272
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.773573440685868, total energy = -46.63127219302126

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: -46.631272
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.7735734537243846, total energy = -46.631272193021104

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: -46.631272
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.7735734305810182, total energy = -46.6312721930215

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: -46.631272
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.773573413863777, total energy = -46.631272193021175

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: -46.631272
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.7735734134403174, total energy = -46.631272193021296

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: -46.631272
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.773573428206145, total energy = -46.63127219302127

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: -46.631272
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.7735734656453124, total energy = -46.63127219302119

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: -46.631272
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.7735733937472102, total energy = -46.631272193021246

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: -46.631272
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.773573411774122, total energy = -46.631272193021346

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: -46.631272
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.7735734656453133, total energy = -46.63127219302122

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: -46.631272
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.7735734418034523, total energy = -46.63127219302142

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: -46.631272
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.773573465645312, total energy = -46.6312721930212

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: -46.631272
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.7735733923822417, total energy = -46.631272193021296

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: -46.631272
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.7735733995912573, total energy = -46.631272193021275

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: -46.631272
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.7735734262678307, total energy = -46.631272193021346

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: -46.631272
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7735734247427866, total energy = -46.63127219302138

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: -46.631272
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.7735734532529013, total energy = -46.63127219302118

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: -46.631272
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7735734520945647, total energy = -46.63127219302113

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: -46.631272
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.7735734288115035, total energy = -46.631272193021275

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: -46.631272
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.77357343219046, total energy = -46.631272193021445

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: -46.631272
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7735734211863, total energy = -46.631272193021324

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: -46.631272
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7735734222922432, total energy = -46.631272193021374

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: -46.631272
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7735734038520543, total energy = -46.63127219302119

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: -46.631272
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7735734265297625, total energy = -46.63127219302127

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: -46.631272
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7735734321177006, total energy = -46.63127219302132

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: -46.631272
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.773573416098951, total energy = -46.63127219302128

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: -46.631272
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.7735734117741186, total energy = -46.63127219302141

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: -46.631272
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.7735733695328157, total energy = -46.63127219302095

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: -46.631272
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.77357342150062, total energy = -46.63127219302124

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: -46.631272
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7735734321177006, total energy = -46.63127219302128

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: -46.631272
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 3.7735733808949625, total energy = -46.63127219302125

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: -46.631272
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 3.773573446369835, total energy = -46.6312721930213

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: -46.631272
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.7735734257963416, total energy = -46.63127219302146

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: -46.631272
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.77357345372438, total energy = -46.63127219302107

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: -46.631272
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.773573402315378, total energy = -46.631272193021466

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: -46.631272
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.773573430581022, total energy = -46.63127219302151

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: -46.631272
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.773573381546872, total energy = -46.631272193021154

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: -46.631272
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7735734140616763, total energy = -46.631272193021225

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: -46.631272
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.7735734447909595, total energy = -46.63127219302122

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: -46.631272
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.7735734281595796, total energy = -46.63127219302151

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: -46.631272
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.773573425505315, total energy = -46.631272193021374

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: -46.631272
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 3.7735734458081303, total energy = -46.63127219302129

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: -46.631272
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.7735734173620505, total energy = -46.63127219302131

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: -46.631272
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.773573465645309, total energy = -46.63127219302119

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: -46.631272
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7735734321177006, total energy = -46.63127219302131

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: -46.631272
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.773573407682128, total energy = -46.6312721930214

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: -46.631272
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.7735734363595705, total energy = -46.63127219302143

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: -46.631272
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.773573411774115, total energy = -46.63127219302142

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: -46.631272
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 3.7735734387882935, total energy = -46.63127219302123

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: -46.631272
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.7735734153538942, total energy = -46.631272193021296

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: -46.631272
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.773573421500628, total energy = -46.63127219302127

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: -46.631272
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.7735734418034417, total energy = -46.63127219302136

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: -46.631272
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.7735733845649424, total energy = -46.63127219302113

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: -46.631272
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.7735734656453084, total energy = -46.6312721930212

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: -46.631272
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.773573426529765, total energy = -46.631272193021246

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: -46.631272
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 3.773573392382245, total energy = -46.631272193021246

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: -46.631272
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.7735733776353158, total energy = -46.6312721930211

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: -46.631272
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 3.7735733983106816, total energy = -46.63127219302127

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: -46.631272
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.773573431243125, total energy = -46.63127219302129

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: -46.631272
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.7735734262678307, total energy = -46.631272193021346

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1374999999999922 Angstroms and c = -1.857529721610564 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1500000000000234 Angstroms and c = -1.8779421361338082 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1625000000000156 Angstroms and c = -1.8983545506569885 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1750000000000078 Angstroms and c = -1.9187669651801689 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1875 Angstroms and c = -1.9391793797033494 Angstroms; the model cutoff was estimated to be 13.826700002551084 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 = 12.0 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 = 12.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2000000000000313 Angstroms and c = -1.9595917942265935 Angstroms; the model cutoff was estimated to be 13.826700002551084 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 = 12.125 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 = 12.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2125000000000057 Angstroms and c = -1.980004208749745 Angstroms; the model cutoff was estimated to be 13.826700002551084 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 = 12.25 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 = 12.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2250000000000156 Angstroms and c = -2.000416623272954 Angstroms; the model cutoff was estimated to be 13.826700002551084 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 = 12.375 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 = 12.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2375000000000256 Angstroms and c = -2.0208290377961635 Angstroms; the model cutoff was estimated to be 13.826700002551084 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 = 12.5 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 = 12.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.25 Angstroms and c = -2.041241452319315 Angstroms; the model cutoff was estimated to be 13.826700002551084 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 = 12.625 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 = 12.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2625000000000313 Angstroms and c = -2.0616538668425592 Angstroms; the model cutoff was estimated to be 13.826700002551084 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 = 12.75 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 = 12.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2750000000000057 Angstroms and c = -2.0820662813657105 Angstroms; the model cutoff was estimated to be 13.826700002551084 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 = 12.875 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 = 12.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2875000000000156 Angstroms and c = -2.10247869588892 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 13.0 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 = 13.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3000000000000256 Angstroms and c = -2.1228911104121293 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3125 Angstroms and c = -2.143303524935281 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3250000000000313 Angstroms and c = -2.163715939458525 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3375000000000057 Angstroms and c = -2.1841283539816763 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3500000000000156 Angstroms and c = -2.2045407685048857 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.375 Angstroms and c = -2.2453655975512468 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3875000000000313 Angstroms and c = -2.265778012074491 Angstroms; the model cutoff was estimated to be 13.826700002551084 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [3.7735734] Angstroms and c = 4.9297756493925045 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.631272
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 3.7735483332592685, c = 6.162301474119434, total energy = -46.63127227335139

Attempting to perform relaxation using initial lattice constant guess of a = [3.7735734] Angstroms and c = 5.237886627479536 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.631272
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.77354831524819, c = 6.162301578476265, total energy = -46.631272273351506

Attempting to perform relaxation using initial lattice constant guess of a = [3.7735734] Angstroms and c = 5.545997605566568 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.631272
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.773548361097559, c = 6.1623014959938605, total energy = -46.63127227335141

Attempting to perform relaxation using initial lattice constant guess of a = [3.7735734] Angstroms and c = 5.8541085836536 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.631272
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 3.773548331522081, c = 6.162301599905756, total energy = -46.63127227335142

Attempting to perform relaxation using initial lattice constant guess of a = [3.7735734] Angstroms and c = 6.162219561740632 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.631272
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 3.7735483770290816, c = 6.162301524092159, total energy = -46.63127227335117

Attempting to perform relaxation using initial lattice constant guess of a = [3.7735734] Angstroms and c = 6.470330539827664 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.631272
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 3.7735483350119905, c = 6.162301447658867, total energy = -46.63127227335156

Attempting to perform relaxation using initial lattice constant guess of a = [3.7735734] Angstroms and c = 6.778441517914696 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.631272
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 3.773548340424372, c = 6.162301479897532, total energy = -46.63127227335129

Attempting to perform relaxation using initial lattice constant guess of a = [3.7735734] Angstroms and c = 7.086552496001728 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.631272
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.773548344315302, c = 6.162301564477943, total energy = -46.631272273351534

Attempting to perform relaxation using initial lattice constant guess of a = [3.7735734] Angstroms and c = 7.39466347408876 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.631272
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 3.7735483140481367, c = 6.162301531173851, total energy = -46.63127227335145

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

 Final lattice Constants:
   a = 3.7735483350119905 Angstroms, c = 6.162301447658867 Angstroms, c/a = 1.633026

 Total energy: -46.63127227335156 eV

 Cohesive energy: -11.65781806833789 eV/atom

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