Element = Lattice = Model = Element: Pb
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Pb__MO_958424213898_004
Computed model cutoff of 10.154599999077657 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pb

==============================================================================
==============================================================================
 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 10.154599999077657 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))

Optimization terminated successfully.
         Current function value: -8.068660
         Iterations: 43
         Function evaluations: 90
Results for this minimization:
  a = 3.4923852296546096, total energy = -8.06865955204056

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: -8.068660
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.4923852587817237, total energy = -8.068659552040527

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: -8.068660
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.4923852572683343, total energy = -8.068659552040515

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: -8.068660
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.4923852508887703, total energy = -8.068659552040533

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: -8.068660
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.4923852081410622, total energy = -8.068659552040504

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: -8.068660
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4923851937055588, total energy = -8.06865955204051

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: -8.068660
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.492385245859623, total energy = -8.068659552040513

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: -8.068660
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.492385262250904, total energy = -8.068659552040508

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: -8.068660
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4923852275824183, total energy = -8.068659552040534

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: -8.068660
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.4923852296546105, total energy = -8.068659552040543

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: -8.068660
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4923852179897916, total energy = -8.068659552040529

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: -8.068660
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.4923852970823646, total energy = -8.068659552040499

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: -8.068660
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.49238523070235, total energy = -8.06865955204053

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: -8.068660
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.492385274171832, total energy = -8.068659552040495

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: -8.068660
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.4923852260486457, total energy = -8.068659552040529

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: -8.068660
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.492385285533966, total energy = -8.068659552040518

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: -8.068660
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.4923852421343327, total energy = -8.068659552040515

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: -8.068660
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.492385208141059, total energy = -8.068659552040497

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: -8.068660
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.4923852037492904, total energy = -8.068659552040517

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: -8.068660
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.4923852197825913, total energy = -8.068659552040522

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: -8.068660
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.492385267652571, total energy = -8.068659552040524

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: -8.068660
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.4923852497013286, total energy = -8.068659552040526

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: -8.068660
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.492385243473107, total energy = -8.068659552040524

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: -8.068660
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.4923852622509006, total energy = -8.068659552040504

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: -8.068660
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.492385262902827, total energy = -8.068659552040517

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: -8.068660
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.4923852275824157, total energy = -8.068659552040526

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: -8.068660
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.492385219782591, total energy = -8.068659552040518

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: -8.068660
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.4923852297069944, total energy = -8.068659552040543

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: -8.068660
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.492385245644253, total energy = -8.068659552040538

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: -8.068660
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.492385217547417, total energy = -8.068659552040527

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: -8.068660
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.492385248094796, total energy = -8.068659552040533

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: -8.068660
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.492385278455913, total energy = -8.068659552040494

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: -8.068660
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4923851999919817, total energy = -8.06865955204052

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: -8.068660
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.492385230702347, total energy = -8.06865955204053

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: -8.068660
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4923852206673494, total energy = -8.068659552040524

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: -8.068660
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4923852639272783, total energy = -8.068659552040513

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: -8.068660
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.492385205347091, total energy = -8.068659552040513

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: -8.068660
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4923852175474126, total energy = -8.068659552040524

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: -8.068660
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4923852182488173, total energy = -8.068659552040529

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: -8.068660
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.492385285533959, total energy = -8.068659552040513

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: -8.068660
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4923852039224554, total energy = -8.068659552040522

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: -8.068660
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4923852421343327, total energy = -8.068659552040513

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: -8.068660
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4923852278297978, total energy = -8.068659552040526

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: -8.068660
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.492385221458967, total energy = -8.068659552040515

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: -8.068660
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.492385239069692, total energy = -8.068659552040513

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: -8.068660
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.492385203513546, total energy = -8.068659552040513

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: -8.068660
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4923852290958166, total energy = -8.06865955204052

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: -8.068660
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.4923852199455707, total energy = -8.068659552040517

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: -8.068660
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.4923852445324823, total energy = -8.06865955204052

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: -8.068660
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.492385239631396, total energy = -8.068659552040534

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: -8.068660
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.4923852285835864, total energy = -8.068659552040545

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: -8.068660
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.492385245859623, total energy = -8.068659552040517

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: -8.068660
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.492385242134337, total energy = -8.068659552040518

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: -8.068660
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.492385204136359, total energy = -8.068659552040522

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: -8.068660
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4923852219013414, total energy = -8.068659552040534

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: -8.068660
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.4923852518200844, total energy = -8.068659552040511

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: -8.068660
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.4923852247884497, total energy = -8.068659552040529

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: -8.068660
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.492385251377713, total energy = -8.068659552040518

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: -8.068660
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 3.492385241694852, total energy = -8.068659552040517

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: -8.068660
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.4923852275824085, total energy = -8.068659552040533

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: -8.068660
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.492385286092754, total energy = -8.068659552040504

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: -8.068660
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.492385219782591, total energy = -8.068659552040517

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: -8.068660
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.4923852243577165, total energy = -8.06865955204052

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: -8.068660
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.4923852296545976, total energy = -8.068659552040534

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: -8.068660
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.4923852461055427, total energy = -8.068659552040529

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: -8.068660
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.4923852456442495, total energy = -8.068659552040533

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: -8.068660
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.4923852340943995, total energy = -8.068659552040527

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: -8.068660
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.4923852175474206, total energy = -8.06865955204052

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: -8.068660
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.4923852106556157, total energy = -8.068659552040538

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: -8.068660
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.4923852485488083, total energy = -8.068659552040536

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: -8.068660
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.4923852393403605, total energy = -8.068659552040527

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 10.154599999077657 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 = 10.125 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 = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 10.154599999077657 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 = 10.25 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 10.154599999077657 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 = [3.49238523] Angstroms and c = 4.562432958872768 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.068666
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.4930653883561265, c = 5.700818543107153, total energy = -8.068665878812505

Attempting to perform relaxation using initial lattice constant guess of a = [3.49238523] Angstroms and c = 4.847585018802316 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.068666
         Iterations: 68
         Function evaluations: 153
Results for this minimization:
  a = 3.493065413926178, c = 5.7008184737399725, total energy = -8.068665878812517

Attempting to perform relaxation using initial lattice constant guess of a = [3.49238523] Angstroms and c = 5.132737078731863 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.068666
         Iterations: 68
         Function evaluations: 142
Results for this minimization:
  a = 3.493065415419127, c = 5.7008185175558665, total energy = -8.068665878812515

Attempting to perform relaxation using initial lattice constant guess of a = [3.49238523] Angstroms and c = 5.417889138661411 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.068666
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 3.4930653742232485, c = 5.700818581245515, total energy = -8.068665878812501

Attempting to perform relaxation using initial lattice constant guess of a = [3.49238523] Angstroms and c = 5.703041198590959 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.068666
         Iterations: 66
         Function evaluations: 147
Results for this minimization:
  a = 3.493065426002528, c = 5.700818495949401, total energy = -8.068665878812517

Attempting to perform relaxation using initial lattice constant guess of a = [3.49238523] Angstroms and c = 5.988193258520506 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.068666
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 3.4930654412805477, c = 5.700818441366224, total energy = -8.068665878812508

Attempting to perform relaxation using initial lattice constant guess of a = [3.49238523] Angstroms and c = 6.273345318450054 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.068666
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.4930654340110694, c = 5.700818454239629, total energy = -8.068665878812515

Attempting to perform relaxation using initial lattice constant guess of a = [3.49238523] Angstroms and c = 6.5584973783796015 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.068666
         Iterations: 73
         Function evaluations: 161
Results for this minimization:
  a = 3.4930654017612923, c = 5.700818463816282, total energy = -8.068665878812523

Attempting to perform relaxation using initial lattice constant guess of a = [3.49238523] Angstroms and c = 6.843649438309149 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.068666
         Iterations: 75
         Function evaluations: 165
Results for this minimization:
  a = 3.4930653887719765, c = 5.700818526049451, total energy = -8.068665878812505

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

 Final lattice Constants:
   a = 3.4930654017612923 Angstroms, c = 5.700818463816282 Angstroms, c/a = 1.632039

 Total energy: -8.068665878812523 eV

 Cohesive energy: -2.0171664697031306 eV/atom

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