Element = Lattice = Model = Element: I
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 9.906790000200273 Angstroms
Computed isolated atomic energy of 0.0 eV for species I

==============================================================================
==============================================================================
 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: -51.274132
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.70374531745911, total energy = -51.27413219680536

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: -51.274132
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.703745262272422, total energy = -51.27413219680579

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: -51.274132
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452766671777, total energy = -51.274132196805716

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: -51.274132
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452742457453, total energy = -51.27413219680561

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: -51.274132
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452846765553, total energy = -51.27413219680567

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: -51.274132
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.703745279274882, total energy = -51.27413219680591

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: -51.274132
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452668882924, total energy = -51.27413219680539

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: -51.274132
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452729418874, total energy = -51.27413219680569

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: -51.274132
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7037453174591084, total energy = -51.27413219680538

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: -51.274132
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.703745294129477, total energy = -51.27413219680569

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: -51.274132
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452956428747, total energy = -51.27413219680557

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: -51.274132
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.703745272674131, total energy = -51.274132196805596

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: -51.274132
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7037452729418874, total energy = -51.27413219680563

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: -51.274132
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.70374527797103, total energy = -51.27413219680569

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: -51.274132
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.703745265793987, total energy = -51.27413219680571

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: -51.274132
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.703745282068849, total energy = -51.2741321968055

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: -51.274132
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7037452846765517, total energy = -51.27413219680563

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: -51.274132
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7037452766671777, total energy = -51.274132196805695

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: -51.274132
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.70374527927488, total energy = -51.27413219680585

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: -51.274132
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.703745261696167, total energy = -51.27413219680561

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: -51.274132
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7037452623248095, total energy = -51.274132196805404

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: -51.274132
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7037452823715262, total energy = -51.27413219680555

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: -51.274132
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7037452729418874, total energy = -51.27413219680566

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: -51.274132
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7037452792748766, total energy = -51.274132196805816

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: -51.274132
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452846765513, total energy = -51.27413219680563

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: -51.274132
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.703745294734837, total energy = -51.27413219680575

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: -51.274132
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7037452941294733, total energy = -51.274132196805716

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: -51.274132
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452766671777, total energy = -51.27413219680569

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: -51.274132
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452660966617, total energy = -51.27413219680576

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: -51.274132
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.7037452554330215, total energy = -51.27413219680564

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: -51.274132
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452753284024, total energy = -51.27413219680565

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: -51.274132
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7037452661839745, total energy = -51.27413219680559

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: -51.274132
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452607182786, total energy = -51.27413219680551

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: -51.274132
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7037453007273093, total energy = -51.274132196805745

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: -51.274132
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.703745277971028, total energy = -51.2741321968057

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: -51.274132
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.703745306446219, total energy = -51.27413219680569

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: -51.274132
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452742457355, total energy = -51.27413219680559

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: -51.274132
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452842487255, total energy = -51.274132196805496

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: -51.274132
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.703745282135782, total energy = -51.27413219680579

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: -51.274132
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.7037452923192156, total energy = -51.27413219680588

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: -51.274132
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7037452846765446, total energy = -51.274132196805624

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: -51.274132
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7037453050259463, total energy = -51.27413219680554

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: -51.274132
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452766671777, total energy = -51.274132196805674

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: -51.274132
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7037452933378496, total energy = -51.274132196805525

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: -51.274132
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.703745297435664, total energy = -51.27413219680559

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: -51.274132
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.703745277348199, total energy = -51.27413219680575

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: -51.274132
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.703745283620079, total energy = -51.27413219680564

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: -51.274132
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452957592905, total energy = -51.27413219680555

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: -51.274132
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.703745262487791, total energy = -51.274132196805375

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: -51.274132
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037453003227645, total energy = -51.27413219680565

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: -51.274132
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.703745282877925, total energy = -51.27413219680561

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: -51.274132
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452889839146, total energy = -51.27413219680579

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: -51.274132
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.703745305072516, total energy = -51.2741321968057

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: -51.274132
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7037452634424026, total energy = -51.27413219680564

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: -51.274132
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.703745279274866, total energy = -51.274132196805915

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: -51.274132
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.7037452698423206, total energy = -51.27413219680568

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: -51.274132
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.703745317459102, total energy = -51.27413219680538

Attempting to perform relaxation using initial lattice constant guess of a = 8.125 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 = 8.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8125 Angstroms and c = -1.3268069440075547 Angstroms; the model cutoff was estimated to be 9.906790000200273 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 = 8.25 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 = [2.70374528] Angstroms and c = 3.5321580419638527 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.274132
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.703727284900852, c = 4.415256311667574, total energy = -51.274132285133945

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 3.7529179195865936 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.274132
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.7037273113916616, c = 4.415256231379429, total energy = -51.27413228513403

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 3.9736777972093345 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.274132
         Iterations: 72
         Function evaluations: 148
Results for this minimization:
  a = 2.7037273156854496, c = 4.415256326922324, total energy = -51.274132285134016

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.194437674832075 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.274132
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.7037272661012475, c = 4.415256327374083, total energy = -51.274132285133916

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.415197552454816 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.274132
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.703727286131807, c = 4.415256319320939, total energy = -51.27413228513387

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.635957430077557 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.274132
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.7037273196840097, c = 4.415256202931069, total energy = -51.274132285133845

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.856717307700298 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.274132
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.703727311152461, c = 4.415256331395937, total energy = -51.27413228513394

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 5.077477185323039 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.274132
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.7037272968835233, c = 4.415256167421583, total energy = -51.274132285133696

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 5.29823706294578 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -51.274132
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 2.703727279381882, c = 4.415256311565121, total energy = -51.274132285133895

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

 Final lattice Constants:
   a = 2.7037273113916616 Angstroms, c = 4.415256231379429 Angstroms, c/a = 1.633026

 Total energy: -51.27413228513403 eV

 Cohesive energy: -12.818533071283507 eV/atom

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