Element = Lattice = Model = Element: Ir
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.049300001114648 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ir

==============================================================================
==============================================================================
 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 10.049300001114648 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: -123.336296
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.742641611397266, total energy = -123.33629562977671

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: -123.336296
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7426415644586086, total energy = -123.33629562977795

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: -123.336296
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7426415601745315, total energy = -123.33629562977717

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: -123.336296
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.742641580104831, total energy = -123.33629562977713

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: -123.336296
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7426415681839007, total energy = -123.3362956297775

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: -123.336296
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7426415652036673, total energy = -123.3362956297776

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: -123.336296
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7426415644586086, total energy = -123.33629562977788

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: -123.336296
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7426415644586104, total energy = -123.33629562977775

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: -123.336296
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.742641597031617, total energy = -123.3362956297771

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: -123.336296
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7426415987720247, total energy = -123.33629562977751

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: -123.336296
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.7426415612921113, total energy = -123.33629562977747

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: -123.336296
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7426415644586086, total energy = -123.33629562977782

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: -123.336296
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.742641560966149, total energy = -123.3362956297768

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: -123.336296
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7426415601745253, total energy = -123.33629562977733

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: -123.336296
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.742641558870673, total energy = -123.3362956297768

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: -123.336296
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.742641581292264, total energy = -123.33629562977747

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: -123.336296
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.742641568183899, total energy = -123.33629562977745

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: -123.336296
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.742641568183898, total energy = -123.33629562977744

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: -123.336296
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.742641613911837, total energy = -123.33629562977659

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: -123.336296
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7426415652036655, total energy = -123.33629562977751

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: -123.336296
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.742641566228119, total energy = -123.33629562977765

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: -123.336296
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.742641609162092, total energy = -123.33629562977687

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: -123.336296
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7426415545924065, total energy = -123.33629562977688

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: -123.336296
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.742641564458607, total energy = -123.33629562977778

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: -123.336296
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.7426415376365205, total energy = -123.33629562977676

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: -123.336296
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.742641594260929, total energy = -123.33629562977684

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: -123.336296
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.742641570745036, total energy = -123.33629562977715

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: -123.336296
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7426416103495246, total energy = -123.3362956297766

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: -123.336296
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7426415539346616, total energy = -123.33629562977765

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: -123.336296
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.742641561292114, total energy = -123.33629562977752

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: -123.336296
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.742641588993134, total energy = -123.33629562977735

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: -123.336296
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7426415644586086, total energy = -123.33629562977781

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: -123.336296
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7426415681838936, total energy = -123.33629562977724

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: -123.336296
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7426415609661468, total energy = -123.33629562977673

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: -123.336296
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.742641601274956, total energy = -123.33629562977718

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: -123.336296
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7426415601745218, total energy = -123.33629562977751

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: -123.336296
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7426415644586086, total energy = -123.3362956297778

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: -123.336296
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.742641562886997, total energy = -123.33629562977731

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: -123.336296
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.7426415541267466, total energy = -123.33629562977704

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: -123.336296
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.742641580244519, total energy = -123.33629562977742

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: -123.336296
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.74264155477285, total energy = -123.3362956297769

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: -123.336296
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.742641568329418, total energy = -123.33629562977745

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: -123.336296
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7426415742724175, total energy = -123.33629562977727

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: -123.336296
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7426415681838927, total energy = -123.33629562977724

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: -123.336296
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.74264158094301, total energy = -123.33629562977727

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: -123.336296
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7426416139118333, total energy = -123.33629562977659

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: -123.336296
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7426415776862996, total energy = -123.33629562977706

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: -123.336296
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7426415652036646, total energy = -123.33629562977745

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: -123.336296
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.7426415896043115, total energy = -123.3362956297769

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: -123.336296
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.742641566228112, total energy = -123.3362956297775

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: -123.336296
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7426415899768424, total energy = -123.33629562977693

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: -123.336296
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.7426415644586086, total energy = -123.33629562977787

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: -123.336296
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7426415569192666, total energy = -123.33629562977667

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: -123.336296
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.7426415554946146, total energy = -123.33629562977667

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: -123.336296
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.742641586146774, total energy = -123.33629562977745

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: -123.336296
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.7426415644586033, total energy = -123.33629562977771

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: -123.336296
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.7426415674271993, total energy = -123.33629562977758

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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 10.049300001114648 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 = [2.74264156] Angstroms and c = 3.582971936145158 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -123.336296
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.7426233208288404, c = 4.478774539410078, total energy = -123.33629584224444

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264156] Angstroms and c = 3.8069076821542303 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -123.336296
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.742623333270942, c = 4.478774486931942, total energy = -123.33629584224457

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264156] Angstroms and c = 4.030843428163303 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -123.336296
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.742623354075121, c = 4.478774439343219, total energy = -123.33629584224458

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264156] Angstroms and c = 4.254779174172375 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -123.336296
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.742623330000222, c = 4.4787744951289925, total energy = -123.33629584224462

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264156] Angstroms and c = 4.478714920181448 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -123.336296
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.7426233294749536, c = 4.478774503235094, total energy = -123.3362958422445

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264156] Angstroms and c = 4.70265066619052 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -123.336296
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.7426233452898945, c = 4.47877443205917, total energy = -123.33629584224437

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264156] Angstroms and c = 4.926586412199592 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -123.336296
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.742623301693979, c = 4.478774565629969, total energy = -123.33629584224445

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264156] Angstroms and c = 5.150522158208664 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -123.336296
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 2.742623350765821, c = 4.478774479125986, total energy = -123.33629584224481

Attempting to perform relaxation using initial lattice constant guess of a = [2.74264156] Angstroms and c = 5.374457904217737 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -123.336296
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 2.742623338583516, c = 4.478774438766601, total energy = -123.33629584224488

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

 Final lattice Constants:
   a = 2.742623338583516 Angstroms, c = 4.478774438766601 Angstroms, c/a = 1.633026

 Total energy: -123.33629584224488 eV

 Cohesive energy: -30.83407396056122 eV/atom

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