Element = Lattice = Model = Element: Hf
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 12.472600000985 Angstroms
Computed isolated atomic energy of 0.0 eV for species Hf

==============================================================================
==============================================================================
 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 12.472600000985 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 12.472600000985 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))

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.4039985868148506, total energy = -111.94454767269575

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

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.4039986100047916, total energy = -111.94454767269643

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: -111.944548
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.4039986290037683, total energy = -111.94454767269566

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: -111.944548
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4039986205287294, total energy = -111.94454767269622

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: -111.944548
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4039986160118136, total energy = -111.94454767269657

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: -111.944548
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4039986049756408, total energy = -111.94454767269625

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: -111.944548
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.403998602926734, total energy = -111.94454767269646

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: -111.944548
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.403998595103624, total energy = -111.94454767269623

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: -111.944548
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.403998649539427, total energy = -111.94454767269579

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: -111.944548
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.4039986002491767, total energy = -111.94454767269617

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: -111.944548
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.4039985868148506, total energy = -111.94454767269568

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: -111.944548
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.403998619434425, total energy = -111.94454767269637

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: -111.944548
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.403998610004785, total energy = -111.94454767269643

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: -111.944548
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.403998602810316, total energy = -111.94454767269644

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: -111.944548
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.403998631169089, total energy = -111.94454767269576

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: -111.944548
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.4039986341667827, total energy = -111.94454767269588

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: -111.944548
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.4039986205287276, total energy = -111.94454767269617

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: -111.944548
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.403998610563576, total energy = -111.94454767269666

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: -111.944548
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.4039986160118136, total energy = -111.94454767269647

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: -111.944548
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.4039986062300143, total energy = -111.94454767269622

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: -111.944548
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.4039986049756408, total energy = -111.94454767269626

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: -111.944548
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.403998613706789, total energy = -111.94454767269585

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: -111.944548
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.40399860292673, total energy = -111.9445476726963

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: -111.944548
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.403998610004784, total energy = -111.94454767269636

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: -111.944548
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.40399859510362, total energy = -111.94454767269633

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: -111.944548
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.403998607536778, total energy = -111.9445476726962

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: -111.944548
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.4039986495394237, total energy = -111.94454767269579

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: -111.944548
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.403998599830083, total energy = -111.94454767269619

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: -111.944548
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.40399860024918, total energy = -111.94454767269625

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: -111.944548
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.4039986471645505, total energy = -111.94454767269552

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: -111.944548
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.4039985868148506, total energy = -111.94454767269568

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: -111.944548
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4039986248390024, total energy = -111.94454767269573

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: -111.944548
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4039986194344234, total energy = -111.94454767269632

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: -111.944548
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.4039986213203535, total energy = -111.94454767269613

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: -111.944548
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.403998609492553, total energy = -111.94454767269639

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: -111.944548
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.403998610563576, total energy = -111.9445476726967

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: -111.944548
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.403998602274801, total energy = -111.94454767269632

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: -111.944548
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.403998611110727, total energy = -111.94454767269674

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: -111.944548
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.403998631238932, total energy = -111.94454767269562

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: -111.944548
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4039985980125453, total energy = -111.94454767269656

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: -111.944548
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4039986341667827, total energy = -111.9445476726958

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: -111.944548
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4039986286981723, total energy = -111.94454767269674

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: -111.944548
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.4039986241608813, total energy = -111.94454767269568

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: -111.944548
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.403998608421527, total energy = -111.94454767269598

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: -111.944548
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4039986105635727, total energy = -111.94454767269666

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: -111.944548
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4039986187126487, total energy = -111.94454767269593

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: -111.944548
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.403998616011812, total energy = -111.94454767269646

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: -111.944548
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.403998618054896, total energy = -111.94454767269612

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: -111.944548
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.403998606314409, total energy = -111.94454767269605

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: -111.944548
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.403998622007199, total energy = -111.94454767269636

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: -111.944548
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.4039986049756408, total energy = -111.94454767269626

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: -111.944548
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.4039986058051035, total energy = -111.94454767269637

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: -111.944548
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.4039986245334033, total energy = -111.94454767269626

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: -111.944548
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 3.4039986306801353, total energy = -111.94454767269588

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: -111.944548
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.4039986029267264, total energy = -111.9445476726962

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: -111.944548
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.403998618523474, total energy = -111.94454767269623

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: -111.944548
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.403998572932328, total energy = -111.94454767269588

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: -111.944548
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4039985986426347, total energy = -111.94454767269626

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: -111.944548
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4039985951036127, total energy = -111.9445476726962

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: -111.944548
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.403998602810312, total energy = -111.94454767269626

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: -111.944548
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.403998607536778, total energy = -111.94454767269619

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: -111.944548
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.4039985945448317, total energy = -111.94454767269603

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: -111.944548
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.4039986459771043, total energy = -111.94454767269588

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: -111.944548
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.4039986272808074, total energy = -111.94454767269677

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: -111.944548
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.4039985998839217, total energy = -111.94454767269615

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: -111.944548
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.4039986063726246, total energy = -111.94454767269605

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: -111.944548
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.4039986002491838, total energy = -111.9445476726963

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: -111.944548
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.4039985978393674, total energy = -111.94454767269657

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: -111.944548
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.4039986217394373, total energy = -111.94454767269576

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: -111.944548
         Iterations: 41
         Function evaluations: 91
Results for this minimization:
  a = 3.403998637944456, total energy = -111.94454767269568

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: -111.944548
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.4039986254647374, total energy = -111.9445476726961

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: -111.944548
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.403998615592723, total energy = -111.94454767269616

Attempting to perform relaxation using initial lattice constant guess of a = 10.25 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 = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 12.472600000985 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.375 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 = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 12.472600000985 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.5 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 = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 12.472600000985 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.625 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 = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 12.472600000985 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.75 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 = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 12.472600000985 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.875 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 = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 12.472600000985 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 = 11.0 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 = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 12.472600000985 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 = 11.125 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 = 11.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1125000000000078 Angstroms and c = -1.816704892564203 Angstroms; the model cutoff was estimated to be 12.472600000985 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 = 11.25 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 = 11.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.125 Angstroms and c = -1.8371173070873836 Angstroms; the model cutoff was estimated to be 12.472600000985 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 = 11.375 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 = 11.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1374999999999922 Angstroms and c = -1.857529721610564 Angstroms; the model cutoff was estimated to be 12.472600000985 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 = 11.5 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 = 11.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1500000000000234 Angstroms and c = -1.8779421361338082 Angstroms; the model cutoff was estimated to be 12.472600000985 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 = 11.625 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 = 11.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1625000000000156 Angstroms and c = -1.8983545506569885 Angstroms; the model cutoff was estimated to be 12.472600000985 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 = 11.75 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 12.472600000985 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 12.472600000985 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 12.472600000985 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 12.472600000985 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 12.472600000985 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 12.472600000985 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 12.472600000985 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 = [3.40399863] Angstroms and c = 4.446965185051924 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 3.4039759867835286, c = 5.558780365344462, total energy = -111.944547865539

Attempting to perform relaxation using initial lattice constant guess of a = [3.40399863] Angstroms and c = 4.724900509117669 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 3.4039759612068456, c = 5.558780392120004, total energy = -111.94454786553914

Attempting to perform relaxation using initial lattice constant guess of a = [3.40399863] Angstroms and c = 5.002835833183414 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 3.4039759755362717, c = 5.5587803602632695, total energy = -111.94454786553925

Attempting to perform relaxation using initial lattice constant guess of a = [3.40399863] Angstroms and c = 5.280771157249159 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 68
         Function evaluations: 152
Results for this minimization:
  a = 3.4039759871133013, c = 5.5587803600303305, total energy = -111.94454786553914

Attempting to perform relaxation using initial lattice constant guess of a = [3.40399863] Angstroms and c = 5.558706481314904 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 3.4039759614978253, c = 5.55878028157287, total energy = -111.94454786553912

Attempting to perform relaxation using initial lattice constant guess of a = [3.40399863] Angstroms and c = 5.8366418053806495 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 3.403975972889553, c = 5.558780443631694, total energy = -111.94454786553915

Attempting to perform relaxation using initial lattice constant guess of a = [3.40399863] Angstroms and c = 6.114577129446395 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 73
         Function evaluations: 148
Results for this minimization:
  a = 3.4039759707976454, c = 5.558780406331838, total energy = -111.944547865539

Attempting to perform relaxation using initial lattice constant guess of a = [3.40399863] Angstroms and c = 6.39251245351214 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 3.403975980393544, c = 5.558780385378415, total energy = -111.94454786553901

Attempting to perform relaxation using initial lattice constant guess of a = [3.40399863] Angstroms and c = 6.670447777577885 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -111.944548
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.4039759855119014, c = 5.5587804036193775, total energy = -111.94454786553919

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

 Final lattice Constants:
   a = 3.4039759755362717 Angstroms, c = 5.5587803602632695 Angstroms, c/a = 1.633026

 Total energy: -111.94454786553925 eV

 Cohesive energy: -27.986136966384812 eV/atom

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