Element = Lattice = Model = Element: Ru
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.40569999814037 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ru

==============================================================================
==============================================================================
 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 10.40569999814037 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))

Optimization terminated successfully.
         Current function value: -65.341580
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8398986670188604, total energy = -65.3415796555636

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: -65.341580
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8398986552492715, total energy = -65.34157965556314

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: -65.341580
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8398986744054193, total energy = -65.34157965556366

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: -65.341580
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.839898659754548, total energy = -65.34157965556321

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: -65.341580
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.83989871015656, total energy = -65.34157965556321

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: -65.341580
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8398986493120906, total energy = -65.34157965556332

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: -65.341580
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8398986669490114, total energy = -65.34157965556396

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: -65.341580
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8398986637592336, total energy = -65.34157965556341

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: -65.341580
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8398986548185357, total energy = -65.34157965556349

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: -65.341580
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8398986670188604, total energy = -65.34157965556359

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: -65.341580
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8398986869957294, total energy = -65.34157965556348

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: -65.341580
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8398986552492715, total energy = -65.34157965556315

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: -65.341580
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.839898669847754, total energy = -65.34157965556331

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: -65.341580
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.839898674405413, total energy = -65.34157965556356

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: -65.341580
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.839898681006161, total energy = -65.34157965556375

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: -65.341580
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8398986555635934, total energy = -65.3415796555633

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: -65.341580
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.8398986882530153, total energy = -65.34157965556342

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: -65.341580
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8398987102322266, total energy = -65.3415796555631

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: -65.341580
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.839898666442604, total energy = -65.34157965556349

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: -65.341580
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8398986493935805, total energy = -65.3415796555633

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: -65.341580
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8398987060645573, total energy = -65.34157965556341

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: -65.341580
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8398986669490114, total energy = -65.3415796555639

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: -65.341580
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8398986877175014, total energy = -65.34157965556365

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: -65.341580
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.83989866375923, total energy = -65.34157965556338

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: -65.341580
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8398986676824287, total energy = -65.34157965556352

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: -65.341580
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8398986799526003, total energy = -65.34157965556366

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: -65.341580
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.839898685575463, total energy = -65.34157965556356

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: -65.341580
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.839898667018856, total energy = -65.3415796555637

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: -65.341580
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.839898704364894, total energy = -65.3415796555636

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: -65.341580
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.839898686995732, total energy = -65.3415796555635

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: -65.341580
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8398986669490083, total energy = -65.34157965556386

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: -65.341580
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.839898654841818, total energy = -65.34157965556352

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: -65.341580
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8398986884392747, total energy = -65.34157965556349

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: -65.341580
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8398986705811677, total energy = -65.34157965556332

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: -65.341580
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8398986588232242, total energy = -65.3415796555635

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: -65.341580
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8398986744054096, total energy = -65.34157965556346

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: -65.341580
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.839898666992667, total energy = -65.34157965556356

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: -65.341580
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.839898676588194, total energy = -65.3415796555635

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: -65.341580
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.839898695703594, total energy = -65.34157965556352

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: -65.341580
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8398986558429833, total energy = -65.34157965556331

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: -65.341580
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.8398986828251482, total energy = -65.34157965556382

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: -65.341580
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8398986882530153, total energy = -65.34157965556334

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: -65.341580
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8398986801505073, total energy = -65.34157965556342

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: -65.341580
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8398986981250283, total energy = -65.34157965556358

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: -65.341580
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8398986937012443, total energy = -65.34157965556346

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: -65.341580
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8398986679356275, total energy = -65.34157965556341

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: -65.341580
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.839898666337831, total energy = -65.34157965556355

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: -65.341580
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8398986656917247, total energy = -65.34157965556338

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: -65.341580
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.839898663770866, total energy = -65.34157965556334

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: -65.341580
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8398986945859996, total energy = -65.34157965556352

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: -65.341580
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.839898655671273, total energy = -65.34157965556345

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: -65.341580
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8398986669490114, total energy = -65.34157965556388

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: -65.341580
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.839898663581703, total energy = -65.34157965556335

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: -65.341580
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.839898671206888, total energy = -65.34157965556342

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: -65.341580
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.8398986955173218, total energy = -65.34157965556345

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: -65.341580
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8398986637592265, total energy = -65.34157965556338

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: -65.341580
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.8398986745160073, total energy = -65.34157965556382

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: -65.341580
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8398986719083084, total energy = -65.34157965556342

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: -65.341580
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.8398986730957256, total energy = -65.34157965556365

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: -65.341580
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.839898679952593, total energy = -65.34157965556373

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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 10.40569999814037 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 = [2.83989867] Angstroms and c = 3.7100280827921197 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -65.341580
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.8398798061555497, c = 4.637596710055628, total energy = -65.3415797681252

Attempting to perform relaxation using initial lattice constant guess of a = [2.83989867] Angstroms and c = 3.9419048379666273 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -65.341580
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.839879820102512, c = 4.637596770793306, total energy = -65.34157976812504

Attempting to perform relaxation using initial lattice constant guess of a = [2.83989867] Angstroms and c = 4.173781593141134 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -65.341580
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.83987979287094, c = 4.637596818682605, total energy = -65.34157976812527

Attempting to perform relaxation using initial lattice constant guess of a = [2.83989867] Angstroms and c = 4.405658348315642 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -65.341580
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.839879793219345, c = 4.637596861058141, total energy = -65.34157976812507

Attempting to perform relaxation using initial lattice constant guess of a = [2.83989867] Angstroms and c = 4.6375351034901495 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -65.341580
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.8398797693543107, c = 4.637596780143616, total energy = -65.3415797681251

Attempting to perform relaxation using initial lattice constant guess of a = [2.83989867] Angstroms and c = 4.869411858664657 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -65.341580
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 2.839879798127134, c = 4.63759676337754, total energy = -65.34157976812519

Attempting to perform relaxation using initial lattice constant guess of a = [2.83989867] Angstroms and c = 5.101288613839165 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -65.341580
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.839879761946116, c = 4.637596873649272, total energy = -65.34157976812514

Attempting to perform relaxation using initial lattice constant guess of a = [2.83989867] Angstroms and c = 5.333165369013672 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -65.341580
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.839879809655906, c = 4.637596802406993, total energy = -65.34157976812516

Attempting to perform relaxation using initial lattice constant guess of a = [2.83989867] Angstroms and c = 5.56504212418818 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -65.341580
         Iterations: 77
         Function evaluations: 156
Results for this minimization:
  a = 2.839879806360919, c = 4.637596786374143, total energy = -65.34157976812519

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

 Final lattice Constants:
   a = 2.83987979287094 Angstroms, c = 4.637596818682605 Angstroms, c/a = 1.633026

 Total energy: -65.34157976812527 eV

 Cohesive energy: -16.335394942031318 eV/atom

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