Element = Lattice = Model = Element: Ac
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 15.323500002324597 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ac

==============================================================================
==============================================================================
 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 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.125 Angstroms and c = 1.8371173070873836 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.25 Angstroms and c = 2.041241452319315 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.375 Angstroms and c = 2.2453655975512468 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.5 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.5 Angstroms and c = 2.449489742783178 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 4.182044505700472, total energy = -74.93202364274238

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: -74.932024
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.182044513523579, total energy = -74.93202364274256

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: -74.932024
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.182044550776482, total energy = -74.93202364274224

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: -74.932024
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.182044476270679, total energy = -74.93202364274195

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: -74.932024
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.182044497132303, total energy = -74.93202364274235

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: -74.932024
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.1820445337332774, total energy = -74.93202364274232

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: -74.932024
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.182044542441139, total energy = -74.93202364274227

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: -74.932024
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.182044478133321, total energy = -74.93202364274208

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: -74.932024
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.182044523893276, total energy = -74.93202364274234

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: -74.932024
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.182044513523584, total energy = -74.9320236427424

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: -74.932024
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.182044532313012, total energy = -74.93202364274222

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: -74.932024
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.182044523954394, total energy = -74.93202364274225

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: -74.932024
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.182044547051191, total energy = -74.9320236427421

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: -74.932024
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.1820444982848155, total energy = -74.93202364274252

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: -74.932024
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.182044523674997, total energy = -74.9320236427422

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: -74.932024
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.182044513523579, total energy = -74.93202364274244

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: -74.932024
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.182044484128712, total energy = -74.93202364274208

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: -74.932024
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 4.182044550776482, total energy = -74.93202364274215

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: -74.932024
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 4.182044498051983, total energy = -74.93202364274228

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: -74.932024
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.182044517993927, total energy = -74.93202364274235

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: -74.932024
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 4.1820444969402155, total energy = -74.93202364274241

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: -74.932024
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 4.182044497132301, total energy = -74.9320236427423

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: -74.932024
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.182044513523579, total energy = -74.93202364274242

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: -74.932024
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.182044533838051, total energy = -74.93202364274241

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: -74.932024
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.182044498210598, total energy = -74.93202364274246

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: -74.932024
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 4.182044481392948, total energy = -74.93202364274211

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: -74.932024
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.182044526888055, total energy = -74.93202364274221

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: -74.932024
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.182044513523579, total energy = -74.93202364274244

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: -74.932024
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 4.182044505700468, total energy = -74.93202364274244

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: -74.932024
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.18204452395439, total energy = -74.93202364274227

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: -74.932024
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 4.182044496442542, total energy = -74.9320236427423

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: -74.932024
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.182044513523575, total energy = -74.9320236427424

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: -74.932024
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.182044514454901, total energy = -74.93202364274218

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: -74.932024
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.182044574618336, total energy = -74.93202364274191

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: -74.932024
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.182044527109246, total energy = -74.93202364274246

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: -74.932024
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.182044523954387, total energy = -74.93202364274224

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: -74.932024
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.182044541230423, total energy = -74.93202364274238

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: -74.932024
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.182044547051191, total energy = -74.93202364274208

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: -74.932024
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.182044494757427, total energy = -74.93202364274232

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: -74.932024
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.182044555945318, total energy = -74.93202364274208

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: -74.932024
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.182044517993921, total energy = -74.9320236427424

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: -74.932024
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.182044521789065, total energy = -74.93202364274235

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: -74.932024
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.182044513523579, total energy = -74.9320236427424

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: -74.932024
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.182044513523577, total energy = -74.93202364274242

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: -74.932024
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.182044533759468, total energy = -74.93202364274215

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: -74.932024
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.182044462859626, total energy = -74.93202364274208

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: -74.932024
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.182044507734825, total energy = -74.93202364274224

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: -74.932024
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.182044550776482, total energy = -74.93202364274214

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: -74.932024
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.182044523581867, total energy = -74.93202364274224

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: -74.932024
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.182044498051972, total energy = -74.93202364274221

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: -74.932024
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.182044533733271, total energy = -74.93202364274234

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: -74.932024
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.1820444818586076, total energy = -74.93202364274198

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: -74.932024
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.182044524466619, total energy = -74.93202364274256

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.182044496940219, total energy = -74.93202364274242

Attempting to perform relaxation using initial lattice constant guess of a = 8.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.182044528698306, total energy = -74.93202364274242

Attempting to perform relaxation using initial lattice constant guess of a = 8.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.182044497132294, total energy = -74.93202364274225

Attempting to perform relaxation using initial lattice constant guess of a = 8.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 4.182044527961987, total energy = -74.93202364274224

Attempting to perform relaxation using initial lattice constant guess of a = 8.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.182044513523579, total energy = -74.93202364274244

Attempting to perform relaxation using initial lattice constant guess of a = 8.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.182044519006745, total energy = -74.93202364274237

Attempting to perform relaxation using initial lattice constant guess of a = 9.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.182044526608649, total energy = -74.93202364274217

Attempting to perform relaxation using initial lattice constant guess of a = 9.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.1820445361314285, total energy = -74.93202364274224

Attempting to perform relaxation using initial lattice constant guess of a = 9.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.182044498210594, total energy = -74.93202364274245

Attempting to perform relaxation using initial lattice constant guess of a = 9.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.182044514891459, total energy = -74.9320236427424

Attempting to perform relaxation using initial lattice constant guess of a = 9.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 4.1820444592740404, total energy = -74.93202364274191

Attempting to perform relaxation using initial lattice constant guess of a = 9.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.182044520694751, total energy = -74.9320236427425

Attempting to perform relaxation using initial lattice constant guess of a = 9.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.1820445241639295, total energy = -74.93202364274227

Attempting to perform relaxation using initial lattice constant guess of a = 9.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.182044534419398, total energy = -74.93202364274232

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.182044513523579, total energy = -74.93202364274245

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.182044539705388, total energy = -74.93202364274225

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.182044505700457, total energy = -74.93202364274241

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.182044520694753, total energy = -74.93202364274248

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.182044523954387, total energy = -74.93202364274228

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.182044573128223, total energy = -74.93202364274178

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.182044497068277, total energy = -74.93202364274217

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.182044522151396, total energy = -74.93202364274232

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.182044513523568, total energy = -74.93202364274252

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.182044524635417, total energy = -74.93202364274234

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.182044545428653, total energy = -74.93202364274214

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.182044504641094, total energy = -74.93202364274258

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.182044574618326, total energy = -74.93202364274191

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.182044540185588, total energy = -74.93202364274228

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 4.182044527109243, total energy = -74.93202364274248

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 4.182044488028623, total energy = -74.93202364274228

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.182044542953354, total energy = -74.9320236427424

Attempting to perform relaxation using initial lattice constant guess of a = 12.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.182044512569696, total energy = -74.93202364274234

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 4.1820445412304155, total energy = -74.93202364274241

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.182044514035789, total energy = -74.93202364274234

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

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 4.182044547051191, total energy = -74.93202364274201

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2625000000000313 Angstroms and c = -2.0616538668425592 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2750000000000057 Angstroms and c = -2.0820662813657105 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2875000000000156 Angstroms and c = -2.10247869588892 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3000000000000256 Angstroms and c = -2.1228911104121293 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3125 Angstroms and c = -2.143303524935281 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3250000000000313 Angstroms and c = -2.163715939458525 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3375000000000057 Angstroms and c = -2.1841283539816763 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3500000000000156 Angstroms and c = -2.2045407685048857 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.375 Angstroms and c = -2.2453655975512468 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3875000000000313 Angstroms and c = -2.265778012074491 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4000000000000057 Angstroms and c = -2.286190426597642 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4125000000000156 Angstroms and c = -2.3066028411208515 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4250000000000256 Angstroms and c = -2.327015255644061 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4375 Angstroms and c = -2.3474276701672125 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4500000000000313 Angstroms and c = -2.3678400846904566 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4625000000000057 Angstroms and c = -2.388252499213608 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4750000000000156 Angstroms and c = -2.4086649137368172 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4875000000000256 Angstroms and c = -2.4290773282600266 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = 15.0 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 = 15.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5 Angstroms and c = -2.449489742783178 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = 15.125 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 = 15.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5125000000000313 Angstroms and c = -2.4699021573064224 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = 15.25 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 = 15.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5249999999999844 Angstroms and c = -2.490314571829539 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = 15.375 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 = 15.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5375000000000156 Angstroms and c = -2.510726986352783 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [4.1820445] Angstroms and c = 5.463400062923262 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 4.182016697119758, c = 6.829340906988656, total energy = -74.93202377182526

Attempting to perform relaxation using initial lattice constant guess of a = [4.1820445] Angstroms and c = 5.804862566855966 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 4.182016726686868, c = 6.829340961693664, total energy = -74.93202377182521

Attempting to perform relaxation using initial lattice constant guess of a = [4.1820445] Angstroms and c = 6.146325070788669 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 4.1820167323842306, c = 6.82934096917319, total energy = -74.93202377182506

Attempting to perform relaxation using initial lattice constant guess of a = [4.1820445] Angstroms and c = 6.487787574721373 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 4.182016696586821, c = 6.829340989073815, total energy = -74.93202377182513

Attempting to perform relaxation using initial lattice constant guess of a = [4.1820445] Angstroms and c = 6.829250078654076 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 4.18201669130182, c = 6.829340939113119, total energy = -74.93202377182503

Attempting to perform relaxation using initial lattice constant guess of a = [4.1820445] Angstroms and c = 7.17071258258678 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 4.182016698246006, c = 6.829340896574368, total energy = -74.93202377182507

Attempting to perform relaxation using initial lattice constant guess of a = [4.1820445] Angstroms and c = 7.512175086519483 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 4.182016688577076, c = 6.829341017584823, total energy = -74.93202377182511

Attempting to perform relaxation using initial lattice constant guess of a = [4.1820445] Angstroms and c = 7.853637590452187 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 4.1820167114485916, c = 6.8293408463248735, total energy = -74.93202377182493

Attempting to perform relaxation using initial lattice constant guess of a = [4.1820445] Angstroms and c = 8.195100094384891 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -74.932024
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 4.18201671510055, c = 6.829340923664137, total energy = -74.93202377182502

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

 Final lattice Constants:
   a = 4.182016697119758 Angstroms, c = 6.829340906988656 Angstroms, c/a = 1.633026

 Total energy: -74.93202377182526 eV

 Cohesive energy: -18.733005942956314 eV/atom

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