Element = Lattice = Model = Element: W
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959MedCutoff_W__MO_390128289865_004
Computed model cutoff of 8.416419997252559 Angstroms
Computed isolated atomic energy of 0.0 eV for species W

==============================================================================
==============================================================================
 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: -35.326410
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8097728552296797, total energy = -35.32640951086835

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: -35.326410
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8097728572785856, total energy = -35.32640951086844

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: -35.326410
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8097728565335274, total energy = -35.326409510868345

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: -35.326410
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8097728567430797, total energy = -35.32640951086832

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: -35.326410
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.809772863984111, total energy = -35.32640951086835

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: -35.326410
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8097728762077194, total energy = -35.3264095108683

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: -35.326410
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.809772867150605, total energy = -35.326409510868395

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: -35.326410
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8097728863358498, total energy = -35.326409510868366

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: -35.326410
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.809772855229678, total energy = -35.326409510868366

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: -35.326410
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.809772857924692, total energy = -35.32640951086838

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: -35.326410
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8097728572785865, total energy = -35.32640951086841

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: -35.326410
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.809772856533527, total energy = -35.32640951086838

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: -35.326410
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8097728565335274, total energy = -35.326409510868366

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: -35.326410
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.809772868454456, total energy = -35.32640951086836

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: -35.326410
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8097728569991887, total energy = -35.32640951086832

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: -35.326410
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8097728699445716, total energy = -35.326409510868416

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: -35.326410
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.809772857278585, total energy = -35.326409510868416

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: -35.326410
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.80977284477558, total energy = -35.32640951086833

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: -35.326410
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8097728565335274, total energy = -35.326409510868366

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: -35.326410
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8097728527733117, total energy = -35.326409510868366

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: -35.326410
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8097728671506035, total energy = -35.326409510868395

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: -35.326410
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8097728512948357, total energy = -35.326409510868395

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: -35.326410
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8097728863358498, total energy = -35.32640951086836

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: -35.326410
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8097728481516207, total energy = -35.326409510868295

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: -35.326410
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8097728863358493, total energy = -35.32640951086836

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: -35.326410
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8097728669876245, total energy = -35.326409510868274

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: -35.326410
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8097728326916673, total energy = -35.326409510868295

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: -35.326410
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8097729049623013, total energy = -35.326409510868224

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: -35.326410
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.809772876556959, total energy = -35.32640951086834

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: -35.326410
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.809772870375308, total energy = -35.326409510868444

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: -35.326410
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.809772867261201, total energy = -35.32640951086839

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: -35.326410
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.809772871554011, total energy = -35.326409510868345

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: -35.326410
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8097728565335274, total energy = -35.326409510868345

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: -35.326410
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8097728503867945, total energy = -35.32640951086829

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: -35.326410
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8097728684544543, total energy = -35.32640951086838

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: -35.326410
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.809772872214672, total energy = -35.32640951086835

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: -35.326410
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.809772854630132, total energy = -35.32640951086833

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: -35.326410
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.809772863460239, total energy = -35.326409510868324

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: -35.326410
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8097728688735453, total energy = -35.326409510868345

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: -35.326410
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8097728693363004, total energy = -35.326409510868324

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: -35.326410
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.809772857278578, total energy = -35.32640951086834

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: -35.326410
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8097729056142224, total energy = -35.32640951086841

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: -35.326410
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.80977284477558, total energy = -35.32640951086835

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: -35.326410
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8097728326916678, total energy = -35.326409510868324

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: -35.326410
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.809772856533522, total energy = -35.32640951086833

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: -35.326410
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8097729064524093, total energy = -35.32640951086824

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: -35.326410
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8097728870343373, total energy = -35.326409510868295

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: -35.326410
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8097728877328336, total energy = -35.3264095108683

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: -35.326410
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.809772867150602, total energy = -35.32640951086833

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: -35.326410
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8097728545981155, total energy = -35.326409510868416

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: -35.326410
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.809772861422962, total energy = -35.32640951086838

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: -35.326410
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8097728863358458, total energy = -35.326409510868366

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: -35.326410
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8097728863358498, total energy = -35.326409510868345

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: -35.326410
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.8097728680266334, total energy = -35.32640951086839

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: -35.326410
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.80977286114356, total energy = -35.32640951086833

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: -35.326410
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.80977289583533, total energy = -35.32640951086833

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 8.416419997252559 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 8.416419997252559 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 8.416419997252559 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 8.416419997252559 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 8.416419997252559 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 = [2.80977287] Angstroms and c = 3.670671906951875 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.326451
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.8104635198175503, c = 4.586081625513439, total energy = -35.32645063325145

Attempting to perform relaxation using initial lattice constant guess of a = [2.80977287] Angstroms and c = 3.900088901136367 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.326451
         Iterations: 70
         Function evaluations: 155
Results for this minimization:
  a = 2.8104634797396075, c = 4.586081595340669, total energy = -35.326450633251405

Attempting to perform relaxation using initial lattice constant guess of a = [2.80977287] Angstroms and c = 4.129505895320859 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.326451
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.8104634709630596, c = 4.586081693240791, total energy = -35.32645063325137

Attempting to perform relaxation using initial lattice constant guess of a = [2.80977287] Angstroms and c = 4.358922889505351 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.326451
         Iterations: 72
         Function evaluations: 148
Results for this minimization:
  a = 2.810463519360373, c = 4.586081610214329, total energy = -35.326450633251476

Attempting to perform relaxation using initial lattice constant guess of a = [2.80977287] Angstroms and c = 4.5883398836898435 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.326451
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.8104634933634234, c = 4.586081605310294, total energy = -35.32645063325149

Attempting to perform relaxation using initial lattice constant guess of a = [2.80977287] Angstroms and c = 4.817756877874336 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.326451
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.810463511369445, c = 4.5860816538714175, total energy = -35.326450633251454

Attempting to perform relaxation using initial lattice constant guess of a = [2.80977287] Angstroms and c = 5.047173872058828 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.326451
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.8104635292478557, c = 4.5860815806132695, total energy = -35.32645063325143

Attempting to perform relaxation using initial lattice constant guess of a = [2.80977287] Angstroms and c = 5.276590866243319 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.326451
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.81046350790283, c = 4.586081608404041, total energy = -35.3264506332515

Attempting to perform relaxation using initial lattice constant guess of a = [2.80977287] Angstroms and c = 5.506007860427812 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.326451
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 2.8104634964117086, c = 4.586081605434638, total energy = -35.3264506332515

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

 Final lattice Constants:
   a = 2.81046350790283 Angstroms, c = 4.586081608404041 Angstroms, c/a = 1.631788

 Total energy: -35.3264506332515 eV

 Cohesive energy: -8.831612658312874 eV/atom

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