Element = Lattice = Model = Element: Lr
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 11.474800004810106 Angstroms
Computed isolated atomic energy of 0.0 eV for species Lr

==============================================================================
==============================================================================
 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 11.474800004810106 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 11.474800004810106 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))

Optimization terminated successfully.
         Current function value: -42.962232
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.1316699907183647, total energy = -42.96223208655212

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: -42.962232
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1316699886694623, total energy = -42.96223208655232

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: -42.962232
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.131670016050342, total energy = -42.96223208655196

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: -42.962232
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.131669986248018, total energy = -42.96223208655225

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: -42.962232
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.131669993884862, total energy = -42.96223208655211

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: -42.962232
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.131670009694062, total energy = -42.96223208655205

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: -42.962232
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1316699862480197, total energy = -42.96223208655225

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: -42.962232
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.131669997982682, total energy = -42.96223208655205

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: -42.962232
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1316700090654193, total energy = -42.96223208655205

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: -42.962232
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.131669985363258, total energy = -42.96223208655223

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: -42.962232
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.1316699907183647, total energy = -42.962232086552085

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: -42.962232
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.13167001605034, total energy = -42.962232086552

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: -42.962232
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.131669988669456, total energy = -42.962232086552284

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: -42.962232
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.131670010462404, total energy = -42.96223208655206

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: -42.962232
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.1316700160503386, total energy = -42.96223208655197

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: -42.962232
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.1316700200841296, total energy = -42.96223208655199

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: -42.962232
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 3.131669988669455, total energy = -42.96223208655228

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: -42.962232
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.1316699742805203, total energy = -42.96223208655195

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: -42.962232
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.131669993884862, total energy = -42.9622320865521

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: -42.962232
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.1316699905320986, total energy = -42.96223208655211

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: -42.962232
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.131670020520687, total energy = -42.962232086551914

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: -42.962232
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.1316700085997558, total energy = -42.96223208655216

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: -42.962232
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.1316699862480153, total energy = -42.96223208655223

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: -42.962232
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.131669988669456, total energy = -42.96223208655226

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: -42.962232
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.131669994816182, total energy = -42.96223208655205

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: -42.962232
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.1316699917661026, total energy = -42.962232086552184

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: -42.962232
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1316699809860404, total energy = -42.962232086552035

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: -42.962232
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.131669993698596, total energy = -42.962232086552056

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: -42.962232
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1316699853632617, total energy = -42.9622320865523

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: -42.962232
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.131670010462401, total energy = -42.96223208655208

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: -42.962232
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1316699907183647, total energy = -42.96223208655212

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: -42.962232
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.1316699702118025, total energy = -42.96223208655215

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: -42.962232
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1316700160503372, total energy = -42.962232086552

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: -42.962232
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1316699989140044, total energy = -42.962232086552106

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: -42.962232
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.131669998914, total energy = -42.962232086552106

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: -42.962232
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.1316699909657473, total energy = -42.96223208655227

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: -42.962232
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1316700104623987, total energy = -42.96223208655207

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: -42.962232
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.131669986108316, total energy = -42.962232086552106

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: -42.962232
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.1316700171679184, total energy = -42.96223208655199

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: -42.962232
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1316700033785274, total energy = -42.96223208655191

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: -42.962232
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.1316700200841296, total energy = -42.96223208655201

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: -42.962232
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.131669989175859, total energy = -42.96223208655211

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: -42.962232
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.131669986248011, total energy = -42.96223208655233

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: -42.962232
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.1316699781425927, total energy = -42.962232086552206

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: -42.962232
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.1316699730232314, total energy = -42.96223208655192

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: -42.962232
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1316699907183647, total energy = -42.96223208655212

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: -42.962232
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.1316699938848602, total energy = -42.9622320865521

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: -42.962232
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.1316699950955753, total energy = -42.96223208655213

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: -42.962232
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.1316699905320915, total energy = -42.96223208655204

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: -42.962232
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.131669987033816, total energy = -42.96223208655215

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: -42.962232
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.131670020520687, total energy = -42.96223208655191

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: -42.962232
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.131669972295645, total energy = -42.96223208655196

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: -42.962232
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.131670008599745, total energy = -42.962232086552135

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: -42.962232
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.1316699752234767, total energy = -42.96223208655204

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: -42.962232
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1316699862480117, total energy = -42.9622320865523

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: -42.962232
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.1316699632443488, total energy = -42.962232086552056

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: -42.962232
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.1316699886694597, total energy = -42.962232086552255

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: -42.962232
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.131669962964939, total energy = -42.96223208655195

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: -42.962232
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.131670029647639, total energy = -42.96223208655189

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: -42.962232
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.1316700102615824, total energy = -42.96223208655215

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: -42.962232
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.1316700039897114, total energy = -42.96223208655194

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: -42.962232
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.131669993355177, total energy = -42.962232086552284

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: -42.962232
         Iterations: 44
         Function evaluations: 93
Results for this minimization:
  a = 3.1316700038267156, total energy = -42.96223208655205

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: -42.962232
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.131669994164249, total energy = -42.9622320865522

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: -42.962232
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.1316699936985923, total energy = -42.96223208655212

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 11.474800004810106 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 11.474800004810106 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 11.474800004810106 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 11.474800004810106 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 11.474800004810106 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 11.474800004810106 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 11.474800004810106 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 11.474800004810106 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 11.474800004810106 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 11.474800004810106 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 11.474800004810106 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 11.474800004810106 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 11.474800004810106 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 11.474800004810106 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 = 11.125 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 = 11.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1125000000000078 Angstroms and c = -1.816704892564203 Angstroms; the model cutoff was estimated to be 11.474800004810106 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 = 11.25 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 = 11.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.125 Angstroms and c = -1.8371173070873836 Angstroms; the model cutoff was estimated to be 11.474800004810106 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 = 11.375 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 11.474800004810106 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 11.474800004810106 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 = [3.13166999] Angstroms and c = 4.091196538184768 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.962232
         Iterations: 75
         Function evaluations: 165
Results for this minimization:
  a = 3.131649177194298, c = 5.11406369741866, total energy = -42.96223216056161

Attempting to perform relaxation using initial lattice constant guess of a = [3.13166999] Angstroms and c = 4.3468963218213155 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.962232
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 3.1316491559739674, c = 5.114063636847382, total energy = -42.96223216056173

Attempting to perform relaxation using initial lattice constant guess of a = [3.13166999] Angstroms and c = 4.602596105457863 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.962232
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 3.1316491445411034, c = 5.114063645946805, total energy = -42.96223216056162

Attempting to perform relaxation using initial lattice constant guess of a = [3.13166999] Angstroms and c = 4.858295889094411 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.962232
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 3.1316491586236133, c = 5.114063660718751, total energy = -42.962232160561626

Attempting to perform relaxation using initial lattice constant guess of a = [3.13166999] Angstroms and c = 5.113995672730958 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.962232
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 3.1316491754865563, c = 5.114063629969735, total energy = -42.962232160561584

Attempting to perform relaxation using initial lattice constant guess of a = [3.13166999] Angstroms and c = 5.369695456367506 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.962232
         Iterations: 79
         Function evaluations: 159
Results for this minimization:
  a = 3.131649174885611, c = 5.114063729203036, total energy = -42.96223216056165

Attempting to perform relaxation using initial lattice constant guess of a = [3.13166999] Angstroms and c = 5.625395240004053 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.962232
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 3.1316491818942476, c = 5.114063744041889, total energy = -42.962232160561534

Attempting to perform relaxation using initial lattice constant guess of a = [3.13166999] Angstroms and c = 5.881095023640601 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.962232
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 3.131649146690355, c = 5.114063635640221, total energy = -42.96223216056155

Attempting to perform relaxation using initial lattice constant guess of a = [3.13166999] Angstroms and c = 6.136794807277148 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.962232
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 3.1316491564449622, c = 5.114063736693556, total energy = -42.962232160561555

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

 Final lattice Constants:
   a = 3.1316491559739674 Angstroms, c = 5.114063636847382 Angstroms, c/a = 1.633026

 Total energy: -42.96223216056173 eV

 Cohesive energy: -10.740558040140433 eV/atom

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