Element = Lattice = Model = Element: Pb
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Pb__MO_370271093517_003
Computed model cutoff of 12.10019999690358 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pb

==============================================================================
==============================================================================
 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 12.10019999690358 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 12.10019999690358 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: -8.140914
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.489945936948061, total energy = -8.140913570689287

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: -8.140914
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.4899458873376807, total energy = -8.140913570689325

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: -8.140914
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4899459648644586, total energy = -8.14091357068928

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: -8.140914
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4899459270760445, total energy = -8.140913570689326

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: -8.140914
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.4899458884727195, total energy = -8.140913570689328

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: -8.140914
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.489945941604674, total energy = -8.140913570689298

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4899459084495925, total energy = -8.140913570689294

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4899458760395663, total energy = -8.140913570689298

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: -8.140914
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.4899459348991524, total energy = -8.140913570689339

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: -8.140914
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.4899459015578005, total energy = -8.140913570689312

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: -8.140914
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.4899458735599183, total energy = -8.140913570689323

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: -8.140914
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.4899459416046748, total energy = -8.140913570689287

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: -8.140914
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.489945858716968, total energy = -8.140913570689289

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: -8.140914
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.4899459142936387, total energy = -8.140913570689325

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: -8.140914
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.489945944398643, total energy = -8.140913570689303

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: -8.140914
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.489945901965257, total energy = -8.140913570689312

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: -8.140914
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.4899459270760427, total energy = -8.140913570689321

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: -8.140914
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.4899459265172488, total energy = -8.140913570689303

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: -8.140914
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.4899459311738608, total energy = -8.140913570689307

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: -8.140914
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.489945867657662, total energy = -8.14091357068931

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: -8.140914
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.4899459443986416, total energy = -8.140913570689307

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: -8.140914
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.4899458588071854, total energy = -8.1409135706893

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: -8.140914
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.489945909380912, total energy = -8.140913570689285

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: -8.140914
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.4899459319654853, total energy = -8.14091357068932

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: -8.140914
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.4899458954343565, total energy = -8.140913570689317

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: -8.140914
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.489945931418333, total energy = -8.140913570689316

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: -8.140914
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.489945944852658, total energy = -8.140913570689294

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: -8.140914
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4899459142005065, total energy = -8.140913570689314

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: -8.140914
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.4899459367268726, total energy = -8.140913570689294

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: -8.140914
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.489945927076039, total energy = -8.140913570689314

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: -8.140914
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.489945873618126, total energy = -8.140913570689312

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: -8.140914
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.4899458713829477, total energy = -8.140913570689296

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: -8.140914
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.489945941604672, total energy = -8.14091357068929

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: -8.140914
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.489945883676411, total energy = -8.140913570689316

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4899458587169625, total energy = -8.140913570689294

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: -8.140914
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.489945920649916, total energy = -8.140913570689344

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: -8.140914
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.48994593196548, total energy = -8.140913570689307

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4899458854488317, total energy = -8.14091357068934

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.489945944398636, total energy = -8.140913570689328

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.48994593475945, total energy = -8.140913570689317

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: -8.140914
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.489945902110776, total energy = -8.140913570689309

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.489945892465764, total energy = -8.14091357068932

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: -8.140914
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4899459263193378, total energy = -8.140913570689326

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: -8.140914
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.4899458743631775, total energy = -8.140913570689312

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4899459265172452, total energy = -8.140913570689307

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: -8.140914
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.489945857436396, total energy = -8.140913570689312

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.489945888472718, total energy = -8.140913570689321

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: -8.140914
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.489945887401695, total energy = -8.140913570689309

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4899458676576547, total energy = -8.1409135706893

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: -8.140914
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4899458848871245, total energy = -8.140913570689337

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: -8.140914
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4899459443986416, total energy = -8.140913570689309

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: -8.140914
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.4899459276523017, total energy = -8.140913570689316

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: -8.140914
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.4899458580853997, total energy = -8.140913570689317

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: -8.140914
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4899459423380823, total energy = -8.140913570689301

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: -8.140914
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.489945929497475, total energy = -8.1409135706893

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: -8.140914
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4899459265652695, total energy = -8.140913570689321

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: -8.140914
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.4899459319654893, total energy = -8.140913570689307

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: -8.140914
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.4899458894214925, total energy = -8.140913570689303

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: -8.140914
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.4899458954343485, total energy = -8.14091357068934

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: -8.140914
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.489945939998138, total energy = -8.140913570689321

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: -8.140914
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.489945931418333, total energy = -8.140913570689317

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: -8.140914
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.4899459342472294, total energy = -8.140913570689335

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: -8.140914
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.489945926517235, total energy = -8.140913570689307

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: -8.140914
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.4899459058680717, total energy = -8.14091357068931

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: -8.140914
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.489945927984076, total energy = -8.140913570689296

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: -8.140914
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.489945913752308, total energy = -8.1409135706893

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: -8.140914
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.4899459013366183, total energy = -8.140913570689316

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: -8.140914
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.4899459039050145, total energy = -8.140913570689332

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: -8.140914
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.489945927076032, total energy = -8.140913570689317

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: -8.140914
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.4899459325242743, total energy = -8.140913570689294

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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 12.10019999690358 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 = [3.48994592] Angstroms and c = 4.559246258933315 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.140914
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.4900930389598246, c = 5.698577751071282, total energy = -8.14091386712792

Attempting to perform relaxation using initial lattice constant guess of a = [3.48994592] Angstroms and c = 4.844199150116647 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.140914
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 3.4900930123979466, c = 5.698577932266288, total energy = -8.140913867127876

Attempting to perform relaxation using initial lattice constant guess of a = [3.48994592] Angstroms and c = 5.129152041299979 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.140914
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.490093040729712, c = 5.6985778236819975, total energy = -8.140913867127896

Attempting to perform relaxation using initial lattice constant guess of a = [3.48994592] Angstroms and c = 5.414104932483311 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.140914
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 3.4900930162894257, c = 5.6985777630268295, total energy = -8.140913867127892

Attempting to perform relaxation using initial lattice constant guess of a = [3.48994592] Angstroms and c = 5.699057823666643 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.140914
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 3.490093032848935, c = 5.698577905704552, total energy = -8.140913867127907

Attempting to perform relaxation using initial lattice constant guess of a = [3.48994592] Angstroms and c = 5.984010714849975 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.140914
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.4900930286344223, c = 5.698577855008216, total energy = -8.140913867127905

Attempting to perform relaxation using initial lattice constant guess of a = [3.48994592] Angstroms and c = 6.268963606033307 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.140914
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.490093057470533, c = 5.698577940910647, total energy = -8.140913867127887

Attempting to perform relaxation using initial lattice constant guess of a = [3.48994592] Angstroms and c = 6.5539164972166395 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.140914
         Iterations: 78
         Function evaluations: 161
Results for this minimization:
  a = 3.4900930384733027, c = 5.698577834190005, total energy = -8.140913867127896

Attempting to perform relaxation using initial lattice constant guess of a = [3.48994592] Angstroms and c = 6.838869388399972 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.140914
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 3.4900930386701825, c = 5.698577907875917, total energy = -8.140913867127898

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

 Final lattice Constants:
   a = 3.4900930389598246 Angstroms, c = 5.698577751071282 Angstroms, c/a = 1.632787

 Total energy: -8.14091386712792 eV

 Cohesive energy: -2.03522846678198 eV/atom

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