Element = Lattice = Model = Element: Po
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 9.978069994449617 Angstroms
Computed isolated atomic energy of 0.0 eV for species Po

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7231988817453407, total energy = -63.27011680281368

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

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.723198881745338, total energy = -63.27011680281365

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: -63.270117
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.723198899999261, total energy = -63.27011680281332

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: -63.270117
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7231988854939186, total energy = -63.27011680281377

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: -63.270117
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7231988817453403, total energy = -63.27011680281371

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: -63.270117
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7231988848303463, total energy = -63.27011680281348

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: -63.270117
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.723198884725571, total energy = -63.27011680281328

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: -63.270117
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7231988914718386, total energy = -63.270116802813526

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: -63.270117
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.72319888174534, total energy = -63.2701168028137

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: -63.270117
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7231989052146677, total energy = -63.27011680281355

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: -63.270117
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.723198881745339, total energy = -63.27011680281366

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: -63.270117
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.723198889312333, total energy = -63.27011680281341

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: -63.270117
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.723198897205293, total energy = -63.270116802813384

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: -63.270117
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.723198875598611, total energy = -63.27011680281368

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: -63.270117
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.7231988854939124, total energy = -63.27011680281358

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: -63.270117
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7231988912448286, total energy = -63.27011680281352

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: -63.270117
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7231988816056383, total energy = -63.270116802813924

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: -63.270117
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7231988881976577, total energy = -63.27011680281366

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: -63.270117
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.723198885133024, total energy = -63.2701168028135

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: -63.270117
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7231988790212194, total energy = -63.270116802813284

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: -63.270117
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7231988847255693, total energy = -63.27011680281326

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: -63.270117
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.723198859731199, total energy = -63.27011680281334

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: -63.270117
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7231988914718386, total energy = -63.270116802813526

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: -63.270117
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7231989227235287, total energy = -63.27011680281308

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: -63.270117
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7231988817453363, total energy = -63.27011680281362

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: -63.270117
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.723198902141305, total energy = -63.27011680281361

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: -63.270117
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.723198905214665, total energy = -63.270116802813575

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: -63.270117
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.723198881241842, total energy = -63.270116802813455

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: -63.270117
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7231988817453345, total energy = -63.27011680281365

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: -63.270117
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.723198881823918, total energy = -63.27011680281335

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: -63.270117
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7231988897547144, total energy = -63.27011680281339

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: -63.270117
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.723198875598606, total energy = -63.27011680281362

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: -63.270117
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.723198899999261, total energy = -63.27011680281336

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: -63.270117
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.7231988804211085, total energy = -63.27011680281353

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: -63.270117
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7231988755986087, total energy = -63.27011680281361

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: -63.270117
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.723198875706296, total energy = -63.27011680281345

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: -63.270117
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.723198882676658, total energy = -63.270116802813234

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: -63.270117
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.72319887370395, total energy = -63.2701168028133

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: -63.270117
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.723198881605635, total energy = -63.27011680281398

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: -63.270117
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.723198897205291, total energy = -63.27011680281344

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: -63.270117
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.723198881605631, total energy = -63.27011680281405

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: -63.270117
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7231988866813444, total energy = -63.27011680281371

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: -63.270117
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7231988881976577, total energy = -63.27011680281364

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: -63.270117
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7231988684041406, total energy = -63.27011680281341

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: -63.270117
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7231988855870384, total energy = -63.27011680281338

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: -63.270117
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.723198890994527, total energy = -63.27011680281339

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: -63.270117
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7231988793355373, total energy = -63.270116802813334

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: -63.270117
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7231988920248114, total energy = -63.270116802813384

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: -63.270117
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7231988847255693, total energy = -63.27011680281328

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: -63.270117
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.7231988755986025, total energy = -63.27011680281355

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: -63.270117
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.723198859393588, total energy = -63.27011680281329

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: -63.270117
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.7231988662853794, total energy = -63.27011680281311

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: -63.270117
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7231988914718386, total energy = -63.270116802813504

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: -63.270117
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.723198897426487, total energy = -63.270116802813405

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: -63.270117
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.723198922723518, total energy = -63.270116802813

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: -63.270117
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.72319886563636, total energy = -63.27011680281318

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: -63.270117
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.72319889068603, total energy = -63.270116802813384

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: -63.270117
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.7231988441199064, total energy = -63.27011680281296

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8249999999999922 Angstroms and c = -1.3472193585307353 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8500000000000156 Angstroms and c = -1.3880441875771599 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9125000000000156 Angstroms and c = -1.4901062601931256 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9250000000000078 Angstroms and c = -1.510518674716306 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9375 Angstroms and c = -1.5309310892394863 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9499999999999922 Angstroms and c = -1.5513435037626666 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9750000000000156 Angstroms and c = -1.5921683328090912 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9875000000000078 Angstroms and c = -1.6125807473322717 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 9.978069994449617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 3.5575721216275284 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.723180786220555, c = 4.447024325180946, total energy = -63.27011691180666

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 3.779920379229249 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 2.7231807669462995, c = 4.447024287262502, total energy = -63.270116911806745

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 4.002268636830969 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.7231807857963894, c = 4.447024228816516, total energy = -63.27011691180652

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 4.224616894432691 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 64
         Function evaluations: 145
Results for this minimization:
  a = 2.723180771916903, c = 4.447024321283567, total energy = -63.27011691180686

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 4.4469651520344105 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.723180754350359, c = 4.447024299246548, total energy = -63.27011691180668

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 4.669313409636132 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.7231807898738083, c = 4.447024296242929, total energy = -63.27011691180697

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 4.891661667237852 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.72318077277581, c = 4.447024354787445, total energy = -63.2701169118069

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 5.114009924839573 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.7231807869744573, c = 4.447024241691347, total energy = -63.27011691180665

Attempting to perform relaxation using initial lattice constant guess of a = [2.72319888] Angstroms and c = 5.336358182441293 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.270117
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.723180797873712, c = 4.44702429224444, total energy = -63.27011691180668

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

 Final lattice Constants:
   a = 2.7231807898738083 Angstroms, c = 4.447024296242929 Angstroms, c/a = 1.633026

 Total energy: -63.27011691180697 eV

 Cohesive energy: -15.817529227951743 eV/atom

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