Element = Lattice = Model = Element: Pa
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 14.254399997182228 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pa

==============================================================================
==============================================================================
 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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))

Optimization terminated successfully.
         Current function value: -38.954539
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.890273179113871, total energy = -38.954539448452

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: -38.954539
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.8902731969952615, total energy = -38.95453944845195

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: -38.954539
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.8902732182526956, total energy = -38.95453944845188

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: -38.954539
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8902731835842133, total energy = -38.954539448451904

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: -38.954539
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.890273213386539, total energy = -38.954539448451925

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: -38.954539
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.8902731983980656, total energy = -38.95453944845193

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: -38.954539
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.8902732084505267, total energy = -38.95453944845199

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: -38.954539
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.890273219742809, total energy = -38.95453944845201

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: -38.954539
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.8902732132701203, total energy = -38.954539448451925

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: -38.954539
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.890273247915322, total energy = -38.95453944845185

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: -38.954539
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.8902732000919107, total energy = -38.95453944845201

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: -38.954539
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.8902731823734946, total energy = -38.95453944845208

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: -38.954539
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.8902732294052873, total energy = -38.95453944845183

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: -38.954539
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.890273184515536, total energy = -38.95453944845191

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: -38.954539
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.8902732599526653, total energy = -38.95453944845178

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: -38.954539
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.890273208764848, total energy = -38.95453944845204

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: -38.954539
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.890273221675307, total energy = -38.954539448452046

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: -38.954539
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.890273200673983, total energy = -38.95453944845194

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: -38.954539
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.8902731835842133, total energy = -38.9545394484519

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: -38.954539
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.8902732150629156, total energy = -38.954539448451946

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: -38.954539
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.8902732133865356, total energy = -38.95453944845193

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: -38.954539
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.8902732003480196, total energy = -38.95453944845196

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: -38.954539
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.8902732196729626, total energy = -38.95453944845203

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: -38.954539
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.89027324145718, total energy = -38.95453944845187

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: -38.954539
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.890273178275673, total energy = -38.954539448451996

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: -38.954539
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.890273219160735, total energy = -38.954539448451975

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: -38.954539
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.8902732197428125, total energy = -38.954539448452

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: -38.954539
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.890273195860207, total energy = -38.95453944845203

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: -38.954539
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.8902732132701203, total energy = -38.954539448451946

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: -38.954539
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.890273241230169, total energy = -38.95453944845188

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: -38.954539
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.8902732102054864, total energy = -38.954539448451975

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: -38.954539
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.890273204533151, total energy = -38.95453944845196

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: -38.954539
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.890273210592566, total energy = -38.95453944845194

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: -38.954539
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.8902732017450035, total energy = -38.954539448451875

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: -38.954539
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8902731930837016, total energy = -38.95453944845198

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: -38.954539
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.8902732077054667, total energy = -38.95453944845211

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: -38.954539
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.890273250639434, total energy = -38.95453944845179

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: -38.954539
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.890273198857902, total energy = -38.95453944845193

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: -38.954539
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8902731843700167, total energy = -38.95453944845192

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: -38.954539
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.8902732079965032, total energy = -38.95453944845205

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: -38.954539
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8902731969952544, total energy = -38.95453944845196

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: -38.954539
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.890273221675301, total energy = -38.954539448452024

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: -38.954539
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.8902732087648437, total energy = -38.954539448452046

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: -38.954539
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.8902732006681617, total energy = -38.95453944845197

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: -38.954539
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.890273218578657, total energy = -38.954539448451904

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: -38.954539
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.8902731938083845, total energy = -38.954539448451875

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: -38.954539
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.890273250639432, total energy = -38.95453944845179

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: -38.954539
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8902732040180092, total energy = -38.95453944845204

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: -38.954539
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8902731835842133, total energy = -38.9545394484519

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: -38.954539
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8902732047485227, total energy = -38.95453944845196

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: -38.954539
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.890273215062905, total energy = -38.95453944845193

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: -38.954539
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.890273206171689, total energy = -38.95453944845194

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: -38.954539
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.890273213386532, total energy = -38.95453944845192

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: -38.954539
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.890273199416697, total energy = -38.95453944845187

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: -38.954539
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.890273200348023, total energy = -38.95453944845195

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: -38.954539
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.8902731980749996, total energy = -38.954539448451904

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: -38.954539
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.890273192065062, total energy = -38.95453944845194

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: -38.954539
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.8902731930837, total energy = -38.954539448452024

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: -38.954539
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.8902732110000215, total energy = -38.95453944845198

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: -38.954539
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.890273202042594, total energy = -38.954539448452046

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: -38.954539
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.8902732335962233, total energy = -38.954539448452124

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: -38.954539
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.890273224335388, total energy = -38.954539448451996

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: -38.954539
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.890273185132533, total energy = -38.95453944845191

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: -38.954539
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.8902732415590435, total energy = -38.95453944845186

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: -38.954539
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.890273219742816, total energy = -38.954539448451996

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: -38.954539
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.890273196250188, total energy = -38.95453944845195

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: -38.954539
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.8902731958601997, total energy = -38.954539448452

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: -38.954539
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.890273206023262, total energy = -38.954539448451975

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: -38.954539
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.8902732132701203, total energy = -38.95453944845194

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: -38.954539
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.8902732093149144, total energy = -38.954539448451946

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: -38.954539
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.890273218438948, total energy = -38.954539448451925

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: -38.954539
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.890273170563151, total energy = -38.95453944845185

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: -38.954539
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 3.8902732090442402, total energy = -38.95453944845197

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: -38.954539
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.890273219672963, total energy = -38.954539448452046

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: -38.954539
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.8902732042828614, total energy = -38.95453944845198

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: -38.954539
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.8902732111397067, total energy = -38.954539448451925

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: -38.954539
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.890273196250191, total energy = -38.954539448451904

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: -38.954539
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.8902732097660158, total energy = -38.954539448451975

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: -38.954539
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.8902732022688724, total energy = -38.95453944845187

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: -38.954539
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 3.890273213037294, total energy = -38.95453944845192

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: -38.954539
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 3.89027319308369, total energy = -38.95453944845204

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: -38.954539
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.890273193048769, total energy = -38.95453944845205

Attempting to perform relaxation using initial lattice constant guess of a = 11.75 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 = 11.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1750000000000078 Angstroms and c = -1.9187669651801689 Angstroms; the model cutoff was estimated to be 14.254399997182228 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 = 11.875 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 = 11.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1875 Angstroms and c = -1.9391793797033494 Angstroms; the model cutoff was estimated to be 14.254399997182228 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 = 12.0 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 = 12.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2000000000000313 Angstroms and c = -1.9595917942265935 Angstroms; the model cutoff was estimated to be 14.254399997182228 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 = 12.125 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 = 12.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2125000000000057 Angstroms and c = -1.980004208749745 Angstroms; the model cutoff was estimated to be 14.254399997182228 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 = 12.25 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 = 12.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2250000000000156 Angstroms and c = -2.000416623272954 Angstroms; the model cutoff was estimated to be 14.254399997182228 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 = 12.375 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 = 12.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2375000000000256 Angstroms and c = -2.0208290377961635 Angstroms; the model cutoff was estimated to be 14.254399997182228 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 = 12.5 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 = 12.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.25 Angstroms and c = -2.041241452319315 Angstroms; the model cutoff was estimated to be 14.254399997182228 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 = 12.625 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 14.254399997182228 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 = [3.89027323] Angstroms and c = 5.082231670569545 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -38.954540
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 3.8902473301478584, c = 6.352874068366191, total energy = -38.95453951555761

Attempting to perform relaxation using initial lattice constant guess of a = [3.89027323] Angstroms and c = 5.399871149980141 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -38.954540
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 3.8902473693772643, c = 6.352873970798667, total energy = -38.95453951555753

Attempting to perform relaxation using initial lattice constant guess of a = [3.89027323] Angstroms and c = 5.717510629390738 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -38.954540
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.8902473406512477, c = 6.3528739006262995, total energy = -38.95453951555748

Attempting to perform relaxation using initial lattice constant guess of a = [3.89027323] Angstroms and c = 6.035150108801334 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -38.954540
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 3.8902473461326093, c = 6.352874004322754, total energy = -38.95453951555769

Attempting to perform relaxation using initial lattice constant guess of a = [3.89027323] Angstroms and c = 6.35278958821193 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -38.954540
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 3.890247327186364, c = 6.35287404120843, total energy = -38.95453951555769

Attempting to perform relaxation using initial lattice constant guess of a = [3.89027323] Angstroms and c = 6.670429067622527 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -38.954540
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 3.890247309926692, c = 6.352874032465478, total energy = -38.954539515557585

Attempting to perform relaxation using initial lattice constant guess of a = [3.89027323] Angstroms and c = 6.988068547033123 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -38.954540
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 3.890247370606722, c = 6.352874025686872, total energy = -38.95453951555755

Attempting to perform relaxation using initial lattice constant guess of a = [3.89027323] Angstroms and c = 7.305708026443719 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -38.954540
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 3.89024734754427, c = 6.352874014218589, total energy = -38.95453951555766

Attempting to perform relaxation using initial lattice constant guess of a = [3.89027323] Angstroms and c = 7.623347505854316 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -38.954540
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 3.890247319927962, c = 6.3528740981339045, total energy = -38.95453951555761

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

 Final lattice Constants:
   a = 3.8902473461326093 Angstroms, c = 6.352874004322754 Angstroms, c/a = 1.633026

 Total energy: -38.95453951555769 eV

 Cohesive energy: -9.738634878889423 eV/atom

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