Element = Lattice = Model = Element: La
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 14.75330000184479 Angstroms
Computed isolated atomic energy of 0.0 eV for species La

==============================================================================
==============================================================================
 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 14.75330000184479 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 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.25 Angstroms and c = 2.041241452319315 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.375 Angstroms and c = 2.2453655975512468 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.026437526941304, total energy = -83.25778216252357

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: -83.257782
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.026437484472993, total energy = -83.2577821625235

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: -83.257782
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.026437504054047, total energy = -83.25778216252375

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: -83.257782
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 4.026437530294061, total energy = -83.25778216252405

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: -83.257782
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.026437520980839, total energy = -83.25778216252358

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: -83.257782
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.0264375253580535, total energy = -83.25778216252368

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: -83.257782
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.026437525544315, total energy = -83.25778216252367

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: -83.257782
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.026437493786213, total energy = -83.25778216252382

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: -83.257782
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.026437517022714, total energy = -83.25778216252402

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: -83.257782
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.0264375052967845, total energy = -83.25778216252372

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: -83.257782
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.026437536370944, total energy = -83.25778216252367

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: -83.257782
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.026437554389123, total energy = -83.2577821625236

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: -83.257782
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.026437526941303, total energy = -83.25778216252361

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: -83.257782
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.026437529828399, total energy = -83.25778216252381

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: -83.257782
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.026437484472991, total energy = -83.25778216252345

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: -83.257782
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.026437528477983, total energy = -83.25778216252367

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: -83.257782
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.026437504054047, total energy = -83.25778216252377

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: -83.257782
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 4.026437528990208, total energy = -83.2577821625235

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: -83.257782
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 4.026437530294061, total energy = -83.25778216252402

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: -83.257782
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 4.02643752808217, total energy = -83.2577821625237

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: -83.257782
         Iterations: 32
         Function evaluations: 72
Results for this minimization:
  a = 4.026437526941301, total energy = -83.25778216252364

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: -83.257782
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.026437529647955, total energy = -83.25778216252394

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: -83.257782
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 4.02643752535805, total energy = -83.25778216252365

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: -83.257782
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.026437530294061, total energy = -83.25778216252401

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: -83.257782
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.026437518000601, total energy = -83.25778216252343

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: -83.257782
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.02643753644079, total energy = -83.25778216252385

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: -83.257782
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.026437493786219, total energy = -83.25778216252368

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: -83.257782
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.026437528739917, total energy = -83.25778216252388

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: -83.257782
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 4.026437517022714, total energy = -83.25778216252407

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: -83.257782
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.026437493786213, total energy = -83.25778216252387

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: -83.257782
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.026437467831419, total energy = -83.25778216252316

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: -83.257782
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.026437522994822, total energy = -83.2577821625236

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: -83.257782
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.026437525358048, total energy = -83.25778216252363

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: -83.257782
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.026437528635142, total energy = -83.25778216252355

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: -83.257782
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.026437556464223, total energy = -83.25778216252328

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: -83.257782
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.0264374969527115, total energy = -83.2577821625235

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: -83.257782
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.0264375269412955, total energy = -83.25778216252357

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: -83.257782
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.026437493786213, total energy = -83.25778216252385

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: -83.257782
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.026437520442414, total energy = -83.25778216252374

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: -83.257782
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 4.026437536292358, total energy = -83.25778216252375

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: -83.257782
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.026437484472986, total energy = -83.25778216252345

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: -83.257782
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.026437531493132, total energy = -83.2577821625237

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: -83.257782
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.026437533507121, total energy = -83.25778216252351

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: -83.257782
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.026437548920512, total energy = -83.25778216252347

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: -83.257782
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.026437504054045, total energy = -83.25778216252371

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: -83.257782
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.026437500643073, total energy = -83.25778216252365

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: -83.257782
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.026437522153712, total energy = -83.25778216252368

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: -83.257782
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.0264375108585195, total energy = -83.25778216252388

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: -83.257782
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 4.026437530294061, total energy = -83.25778216252401

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: -83.257782
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.026437499755415, total energy = -83.25778216252382

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: -83.257782
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.026437518699084, total energy = -83.25778216252361

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: -83.257782
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.026437520515166, total energy = -83.2577821625237

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: -83.257782
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.026437526941297, total energy = -83.25778216252367

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: -83.257782
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.026437501423061, total energy = -83.25778216252377

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: -83.257782
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 4.0264375262864665, total energy = -83.25778216252355

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: -83.257782
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.026437523518677, total energy = -83.25778216252357

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: -83.257782
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.026437525358043, total energy = -83.25778216252363

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: -83.257782
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.026437493273984, total energy = -83.25778216252363

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: -83.257782
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.026437530294061, total energy = -83.257782162524

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: -83.257782
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.0264374785125305, total energy = -83.2577821625234

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: -83.257782
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.0264375184196854, total energy = -83.25778216252351

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: -83.257782
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.026437545461515, total energy = -83.25778216252353

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: -83.257782
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.0264375364407865, total energy = -83.25778216252382

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: -83.257782
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 4.026437517022714, total energy = -83.25778216252395

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: -83.257782
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.026437458395964, total energy = -83.2577821625232

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: -83.257782
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.026437524589697, total energy = -83.25778216252357

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: -83.257782
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.02643752873991, total energy = -83.25778216252375

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: -83.257782
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.026437562680799, total energy = -83.25778216252361

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 4.026437517022714, total energy = -83.25778216252395

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 4.0264374844729955, total energy = -83.25778216252345

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 4.0264375014230485, total energy = -83.25778216252385

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.026437509898087, total energy = -83.25778216252367

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 4.026437467831416, total energy = -83.25778216252311

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 4.026437494212587, total energy = -83.25778216252368

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 4.026437522994826, total energy = -83.2577821625236

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.026437523778428, total energy = -83.25778216252371

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.026437534578133, total energy = -83.25778216252358

Attempting to perform relaxation using initial lattice constant guess of a = 11.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.0264375151135, total energy = -83.25778216252391

Attempting to perform relaxation using initial lattice constant guess of a = 11.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.026437528635142, total energy = -83.25778216252357

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 41
         Function evaluations: 84
Results for this minimization:
  a = 4.026437515951697, total energy = -83.25778216252377

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 4.026437548431555, total energy = -83.2577821625234

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.026437518699085, total energy = -83.25778216252365

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 4.026437552762213, total energy = -83.25778216252336

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

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 4.026437499647727, total energy = -83.25778216252365

Attempting to perform relaxation using initial lattice constant guess of a = 12.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.026437526941281, total energy = -83.25778216252344

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 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2250000000000156 Angstroms and c = -2.000416623272954 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2375000000000256 Angstroms and c = -2.0208290377961635 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.25 Angstroms and c = -2.041241452319315 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2625000000000313 Angstroms and c = -2.0616538668425592 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2750000000000057 Angstroms and c = -2.0820662813657105 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2875000000000156 Angstroms and c = -2.10247869588892 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 13.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3000000000000256 Angstroms and c = -2.1228911104121293 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3125 Angstroms and c = -2.143303524935281 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3250000000000313 Angstroms and c = -2.163715939458525 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3375000000000057 Angstroms and c = -2.1841283539816763 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3500000000000156 Angstroms and c = -2.2045407685048857 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.375 Angstroms and c = -2.2453655975512468 Angstroms; the model cutoff was estimated to be 14.75330000184479 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3875000000000313 Angstroms and c = -2.265778012074491 Angstroms; the model cutoff was estimated to be 14.75330000184479 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 = 14.0 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 = 14.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4000000000000057 Angstroms and c = -2.286190426597642 Angstroms; the model cutoff was estimated to be 14.75330000184479 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 = 14.125 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 = 14.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4125000000000156 Angstroms and c = -2.3066028411208515 Angstroms; the model cutoff was estimated to be 14.75330000184479 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 = 14.25 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 = 14.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4250000000000256 Angstroms and c = -2.327015255644061 Angstroms; the model cutoff was estimated to be 14.75330000184479 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 = 14.375 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 = 14.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4375 Angstroms and c = -2.3474276701672125 Angstroms; the model cutoff was estimated to be 14.75330000184479 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 = 14.5 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 = 14.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4500000000000313 Angstroms and c = -2.3678400846904566 Angstroms; the model cutoff was estimated to be 14.75330000184479 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 = 14.625 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 = 14.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4625000000000057 Angstroms and c = -2.388252499213608 Angstroms; the model cutoff was estimated to be 14.75330000184479 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 = 14.75 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 = 14.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4750000000000156 Angstroms and c = -2.4086649137368172 Angstroms; the model cutoff was estimated to be 14.75330000184479 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 = 14.875 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 = 14.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4875000000000256 Angstroms and c = -2.4290773282600266 Angstroms; the model cutoff was estimated to be 14.75330000184479 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 = [4.02643752] Angstroms and c = 5.26011594554907 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 4.026410757728441, c = 6.575232383769983, total energy = -83.25778230594905

Attempting to perform relaxation using initial lattice constant guess of a = [4.02643752] Angstroms and c = 5.588873192145887 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 4.02641076699184, c = 6.575232274460945, total energy = -83.25778230594906

Attempting to perform relaxation using initial lattice constant guess of a = [4.02643752] Angstroms and c = 5.917630438742704 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 4.0264107477739906, c = 6.575232377135689, total energy = -83.25778230594905

Attempting to perform relaxation using initial lattice constant guess of a = [4.02643752] Angstroms and c = 6.2463876853395215 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 4.02641075443077, c = 6.575232384958156, total energy = -83.25778230594908

Attempting to perform relaxation using initial lattice constant guess of a = [4.02643752] Angstroms and c = 6.575144931936339 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 4.026410742103657, c = 6.575232362905739, total energy = -83.25778230594898

Attempting to perform relaxation using initial lattice constant guess of a = [4.02643752] Angstroms and c = 6.903902178533156 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 79
         Function evaluations: 163
Results for this minimization:
  a = 4.026410733900658, c = 6.5752323382415465, total energy = -83.2577823059491

Attempting to perform relaxation using initial lattice constant guess of a = [4.02643752] Angstroms and c = 7.232659425129973 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 4.026410723800409, c = 6.5752323113981355, total energy = -83.25778230594904

Attempting to perform relaxation using initial lattice constant guess of a = [4.02643752] Angstroms and c = 7.56141667172679 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 4.026410743052282, c = 6.575232451482584, total energy = -83.25778230594875

Attempting to perform relaxation using initial lattice constant guess of a = [4.02643752] Angstroms and c = 7.890173918323607 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -83.257782
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 4.026410741947149, c = 6.57523242451337, total energy = -83.25778230594904

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

 Final lattice Constants:
   a = 4.026410733900658 Angstroms, c = 6.5752323382415465 Angstroms, c/a = 1.633026

 Total energy: -83.2577823059491 eV

 Cohesive energy: -20.814445576487277 eV/atom

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