Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Fe__MO_147603128437_003
Computed model cutoff of 9.977489995956422 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

==============================================================================
==============================================================================
 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: -16.816667
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5502914777025616, total energy = -16.81666672542133

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: -16.816667
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5502914586104457, total energy = -16.816666725421396

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: -16.816667
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.550291486084461, total energy = -16.816666725421324

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: -16.816667
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.550291471416135, total energy = -16.81666672542135

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: -16.816667
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5502914577722575, total energy = -16.816666725421307

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: -16.816667
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5502914885059016, total energy = -16.816666725421335

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: -16.816667
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.550291483104229, total energy = -16.816666725421307

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: -16.816667
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.550291493535042, total energy = -16.81666672542127

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: -16.816667
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.55029147770256, total energy = -16.816666725421353

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: -16.816667
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5502914918586623, total energy = -16.8166667254213

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: -16.816667
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.550291455886327, total energy = -16.816666725421296

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: -16.816667
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.5502914860844608, total energy = -16.816666725421342

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: -16.816667
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.550291486084461, total energy = -16.81666672542133

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: -16.816667
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5502914793556553, total energy = -16.81666672542139

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: -16.816667
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.550291475257836, total energy = -16.816666725421243

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: -16.816667
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.550291425443719, total energy = -16.81666672542129

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: -16.816667
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.550291457772254, total energy = -16.816666725421275

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: -16.816667
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5502914912067354, total energy = -16.81666672542134

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: -16.816667
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5502914885059, total energy = -16.816666725421342

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: -16.816667
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5502914376556864, total energy = -16.81666672542134

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: -16.816667
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.5502914831042283, total energy = -16.816666725421317

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: -16.816667
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5502914376556847, total energy = -16.81666672542134

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: -16.816667
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.550291493535042, total energy = -16.816666725421268

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: -16.816667
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5502914575859865, total energy = -16.816666725421268

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: -16.816667
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5502914376556864, total energy = -16.81666672542134

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: -16.816667
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.550291486078642, total energy = -16.81666672542133

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: -16.816667
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5502914918586588, total energy = -16.816666725421328

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: -16.816667
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.550291493535042, total energy = -16.81666672542128

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: -16.816667
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.550291454314716, total energy = -16.816666725421317

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: -16.816667
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.550291429273783, total energy = -16.81666672542128

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: -16.816667
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5502914860844625, total energy = -16.81666672542133

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: -16.816667
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.550291437655684, total energy = -16.816666725421342

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: -16.816667
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.550291486084461, total energy = -16.81666672542133

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: -16.816667
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.550291502661998, total energy = -16.81666672542129

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: -16.816667
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5502914793556535, total energy = -16.8166667254214

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: -16.816667
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.550291439611466, total energy = -16.816666725421296

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: -16.816667
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.5502914632204874, total energy = -16.81666672542131

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: -16.816667
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.550291437917622, total energy = -16.816666725421364

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: -16.816667
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 2.550291412323707, total energy = -16.816666725421214

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: -16.816667
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.550291433228993, total energy = -16.816666725421243

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: -16.816667
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.550291457772247, total energy = -16.81666672542132

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: -16.816667
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.550291488278886, total energy = -16.816666725421285

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: -16.816667
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5502914912067354, total energy = -16.816666725421317

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: -16.816667
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.550291458610443, total energy = -16.816666725421406

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: -16.816667
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5502914885058927, total energy = -16.816666725421342

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: -16.816667
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.550291450135402, total energy = -16.816666725421303

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: -16.816667
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.550291437655683, total energy = -16.81666672542134

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: -16.816667
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.5502914586104453, total energy = -16.81666672542141

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: -16.816667
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.5502914831042265, total energy = -16.81666672542131

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: -16.816667
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5502914577722477, total energy = -16.81666672542132

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 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 = 7.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7250000000000156 Angstroms and c = -1.1839200423452283 Angstroms; the model cutoff was estimated to be 9.977489995956422 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 = 7.375 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 = 7.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7375000000000078 Angstroms and c = -1.2043324568684086 Angstroms; the model cutoff was estimated to be 9.977489995956422 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 = 7.5 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 = 7.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.75 Angstroms and c = -1.224744871391589 Angstroms; the model cutoff was estimated to be 9.977489995956422 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 = 7.625 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 = 7.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7624999999999922 Angstroms and c = -1.2451572859147695 Angstroms; the model cutoff was estimated to be 9.977489995956422 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 = 7.75 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 = 7.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7750000000000234 Angstroms and c = -1.2655697004380135 Angstroms; the model cutoff was estimated to be 9.977489995956422 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 = 7.875 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 = 7.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7875000000000156 Angstroms and c = -1.285982114961194 Angstroms; the model cutoff was estimated to be 9.977489995956422 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 = 8.0 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 = 8.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8000000000000078 Angstroms and c = -1.3063945294843744 Angstroms; the model cutoff was estimated to be 9.977489995956422 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 = 8.125 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 9.977489995956422 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 = [2.55029146] Angstroms and c = 3.331686810119379 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.816667
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.5502477964497827, c = 4.164750903377808, total energy = -16.816666803293913

Attempting to perform relaxation using initial lattice constant guess of a = [2.55029146] Angstroms and c = 3.5399172357518403 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.816667
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.550247794797174, c = 4.164750832026688, total energy = -16.81666680329381

Attempting to perform relaxation using initial lattice constant guess of a = [2.55029146] Angstroms and c = 3.7481476613843014 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.816667
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.550247771321522, c = 4.164750948605264, total energy = -16.816666803293835

Attempting to perform relaxation using initial lattice constant guess of a = [2.55029146] Angstroms and c = 3.9563780870167626 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.816667
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.5502477875258727, c = 4.164750933652632, total energy = -16.816666803293877

Attempting to perform relaxation using initial lattice constant guess of a = [2.55029146] Angstroms and c = 4.164608512649224 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.816667
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.5502478040705565, c = 4.164750932752199, total energy = -16.816666803293934

Attempting to perform relaxation using initial lattice constant guess of a = [2.55029146] Angstroms and c = 4.372838938281685 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.816667
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 2.550247776401813, c = 4.164751037579721, total energy = -16.816666803293852

Attempting to perform relaxation using initial lattice constant guess of a = [2.55029146] Angstroms and c = 4.581069363914146 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.816667
         Iterations: 80
         Function evaluations: 169
Results for this minimization:
  a = 2.550247816867944, c = 4.16475086440653, total energy = -16.81666680329391

Attempting to perform relaxation using initial lattice constant guess of a = [2.55029146] Angstroms and c = 4.789299789546607 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.816667
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.5502477687864085, c = 4.164751024712642, total energy = -16.81666680329386

Attempting to perform relaxation using initial lattice constant guess of a = [2.55029146] Angstroms and c = 4.997530215179069 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.816667
         Iterations: 81
         Function evaluations: 165
Results for this minimization:
  a = 2.5502477673108417, c = 4.164750985694255, total energy = -16.816666803293874

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

 Final lattice Constants:
   a = 2.5502478040705565 Angstroms, c = 4.164750932752199 Angstroms, c/a = 1.633077

 Total energy: -16.816666803293934 eV

 Cohesive energy: -4.2041667008234835 eV/atom

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