Element = Lattice = Model = Element: Rb
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Rb__MO_754498969542_003
Computed model cutoff of 19.528300006389543 Angstroms
Computed isolated atomic energy of 0.0 eV for species Rb

==============================================================================
==============================================================================
 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 19.528300006389543 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 19.528300006389543 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 19.528300006389543 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 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.5 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.5 Angstroms and c = 2.449489742783178 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.625 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.625 Angstroms and c = 2.6536138880151094 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 1.75 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 = 1.75 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.75 Angstroms and c = 2.857738033247041 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 1.875 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 = 1.875 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.875 Angstroms and c = 3.0618621784789726 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 5.1859562024474215, total energy = -3.125389598738015

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: -3.125390
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 5.185956150293353, total energy = -3.1253895987380047

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: -3.125390
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.185956222214736, total energy = -3.1253895987380043

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: -3.125390
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.185956222040109, total energy = -3.125389598738005

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: -3.125390
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 5.18595626950264, total energy = -3.1253895987380154

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: -3.125390
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 5.185956269991589, total energy = -3.125389598738004

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: -3.125390
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.185956222796823, total energy = -3.12538959873801

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: -3.125390
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 5.185956218771754, total energy = -3.1253895987380123

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: -3.125390
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 5.185956220049414, total energy = -3.1253895987380114

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: -3.125390
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.185956186614931, total energy = -3.12538959873801

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: -3.125390
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 5.185956275614448, total energy = -3.12538959873801

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: -3.125390
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 5.185956220485975, total energy = -3.1253895987380176

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: -3.125390
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 5.185956269502641, total energy = -3.1253895987380123

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: -3.125390
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 5.185956149362032, total energy = -3.1253895987380047

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: -3.125390
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 5.18595626950264, total energy = -3.1253895987380127

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: -3.125390
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.185956303589047, total energy = -3.12538959873801

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: -3.125390
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 5.185956202447418, total energy = -3.125389598738011

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: -3.125390
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 5.185956208454444, total energy = -3.1253895987380176

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: -3.125390
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 5.185956177208575, total energy = -3.125389598738006

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: -3.125390
         Iterations: 35
         Function evaluations: 79
Results for this minimization:
  a = 5.18595626950264, total energy = -3.125389598738014

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: -3.125390
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.185956222214736, total energy = -3.125389598738005

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: -3.125390
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.185956202601666, total energy = -3.125389598738014

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: -3.125390
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 5.185956294368953, total energy = -3.125389598738012

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: -3.125390
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 5.1859562415629625, total energy = -3.1253895987380007

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: -3.125390
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 5.18595626950264, total energy = -3.125389598738013

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: -3.125390
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 5.185956159792839, total energy = -3.1253895987380207

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: -3.125390
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 5.18595626950264, total energy = -3.1253895987380136

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: -3.125390
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 5.185956218924547, total energy = -3.1253895987380145

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: -3.125390
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 5.18595622330904, total energy = -3.125389598738007

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: -3.125390
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 5.185956242959946, total energy = -3.1253895987380127

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: -3.125390
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 5.18595621883869, total energy = -3.125389598738007

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: -3.125390
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.185956255346538, total energy = -3.125389598738005

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: -3.125390
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.185956241562958, total energy = -3.1253895987380154

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: -3.125390
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.185956256464122, total energy = -3.125389598738013

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: -3.125390
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 5.185956212226301, total energy = -3.125389598738013

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: -3.125390
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.185956189874558, total energy = -3.1253895987380083

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: -3.125390
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 5.185956236720084, total energy = -3.1253895987380056

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: -3.125390
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.185956199606878, total energy = -3.1253895987380145

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: -3.125390
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 5.185956220485969, total energy = -3.1253895987380087

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: -3.125390
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 5.185956178072956, total energy = -3.1253895987380087

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: -3.125390
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 5.185956270154563, total energy = -3.125389598738017

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: -3.125390
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 5.185956171940776, total energy = -3.125389598738012

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: -3.125390
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.185956149362025, total energy = -3.125389598738002

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: -3.125390
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 5.1859562241006625, total energy = -3.1253895987380114

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: -3.125390
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.18595626950264, total energy = -3.1253895987380123

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: -3.125390
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.185956110237751, total energy = -3.125389598738008

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: -3.125390
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 5.185956303408597, total energy = -3.125389598738011

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: -3.125390
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 5.185956212785091, total energy = -3.1253895987380083

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: -3.125390
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 5.18595624566078, total energy = -3.1253895987380167

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: -3.125390
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 5.185956132598221, total energy = -3.1253895987380065

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: -3.125390
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 5.185956225357954, total energy = -3.125389598738

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: -3.125390
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 5.185956125846124, total energy = -3.125389598738006

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: -3.125390
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 5.185956150293346, total energy = -3.125389598738002

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: -3.125390
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 5.185956299433017, total energy = -3.125389598738001

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: -3.125390
         Iterations: 39
         Function evaluations: 87
Results for this minimization:
  a = 5.185956269604503, total energy = -3.1253895987380127

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: -3.125390
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.185956189618447, total energy = -3.1253895987380087

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: -3.125390
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.1859561298042465, total energy = -3.1253895987380025

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: -3.125390
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 5.1859562528436, total energy = -3.1253895987380074

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: -3.125390
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 5.185956296340732, total energy = -3.1253895987379985

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: -3.125390
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.185956198256463, total energy = -3.1253895987380087

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: -3.125390
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 5.185956294368957, total energy = -3.1253895987380136

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: -3.125390
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.185956192575384, total energy = -3.1253895987380163

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: -3.125390
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.185956241562955, total energy = -3.1253895987380154

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: -3.125390
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.1859561892226305, total energy = -3.125389598738014

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: -3.125390
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 5.18595626950264, total energy = -3.125389598738014

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: -3.125390
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.1859561650082515, total energy = -3.1253895987380047

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: -3.125390
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 5.185956159792829, total energy = -3.1253895987380202

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: -3.125390
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 5.185956179548514, total energy = -3.1253895987380065

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: -3.125390
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.185956269502636, total energy = -3.12538959873801

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: -3.125390
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.185956118628383, total energy = -3.1253895987380087

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: -3.125390
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 5.18595621523273, total energy = -3.125389598738009

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: -3.125390
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.185956185823295, total energy = -3.1253895987380154

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: -3.125390
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 5.185956206533584, total energy = -3.125389598738014

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: -3.125390
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 5.185956124248328, total energy = -3.1253895987380136

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: -3.125390
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.185956242959946, total energy = -3.1253895987380154

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: -3.125390
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.18595623429865, total energy = -3.125389598738004

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: -3.125390
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.185956158861506, total energy = -3.125389598738016

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: -3.125390
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.185956212645388, total energy = -3.125389598738009

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.185956149746195, total energy = -3.1253895987380105

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 5.185956324588915, total energy = -3.125389598737999

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 5.185956144612265, total energy = -3.1253895987380056

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 5.185956255902417, total energy = -3.1253895987380136

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 5.185956256464115, total energy = -3.1253895987380096

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 5.18595620259583, total energy = -3.1253895987380136

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 5.185956198256463, total energy = -3.1253895987380083

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.185956187546235, total energy = -3.1253895987380074

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 5.185956189874556, total energy = -3.1253895987380083

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 5.185956161282947, total energy = -3.1253895987380114

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 5.185956241562949, total energy = -3.1253895987380145

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.18595626950264, total energy = -3.1253895987380096

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 5.185956241562946, total energy = -3.125389598738018

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.185956196393813, total energy = -3.1253895987380043

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 5.18595622040738, total energy = -3.1253895987380047

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 5.185956174373848, total energy = -3.1253895987380065

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 5.18595623713918, total energy = -3.1253895987379994

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 5.185956133576093, total energy = -3.1253895987380087

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

Optimization terminated successfully.
         Current function value: -3.125390
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 5.185956270154561, total energy = -3.1253895987380154

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 19.528300006389543 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 19.528300006389543 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 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4500000000000313 Angstroms and c = -2.3678400846904566 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4625000000000057 Angstroms and c = -2.388252499213608 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4750000000000156 Angstroms and c = -2.4086649137368172 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4875000000000256 Angstroms and c = -2.4290773282600266 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 15.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 15.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5 Angstroms and c = -2.449489742783178 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 15.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 15.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5125000000000313 Angstroms and c = -2.4699021573064224 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 15.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 15.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5249999999999844 Angstroms and c = -2.490314571829539 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 15.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 15.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5375000000000156 Angstroms and c = -2.510726986352783 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 15.5 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 = 15.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.550000000000047 Angstroms and c = -2.531139400876027 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 15.625 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 = 15.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5625 Angstroms and c = -2.5515518153991437 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 15.75 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 = 15.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5750000000000313 Angstroms and c = -2.571964229922388 Angstroms; the model cutoff was estimated to be 19.528300006389543 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 15.875 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 = 15.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5874999999999844 Angstroms and c = -2.5923766444455048 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 16.0 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 = 16.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.6000000000000156 Angstroms and c = -2.612789058968749 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 16.125 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 = 16.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.612500000000047 Angstroms and c = -2.633201473491993 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 16.25 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 = 16.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.625 Angstroms and c = -2.6536138880151094 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 16.375 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 = 16.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.6375000000000313 Angstroms and c = -2.674026302538354 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 16.5 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 = 16.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.6499999999999844 Angstroms and c = -2.6944387170614705 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 16.625 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 = 16.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.6625000000000156 Angstroms and c = -2.7148511315847146 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 16.75 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 = 16.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.675000000000047 Angstroms and c = -2.7352635461079586 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 16.875 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 = 16.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.6875 Angstroms and c = -2.7556759606310752 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 17.0 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 = 17.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7000000000000313 Angstroms and c = -2.7760883751543197 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 17.125 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 = 17.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7124999999999844 Angstroms and c = -2.7965007896774363 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 17.25 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 = 17.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7250000000000156 Angstroms and c = -2.8169132042006804 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 17.375 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 = 17.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.737500000000047 Angstroms and c = -2.8373256187239244 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 17.5 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 = 17.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.75 Angstroms and c = -2.857738033247041 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 17.625 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 = 17.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7625000000000313 Angstroms and c = -2.8781504477702855 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 17.75 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 = 17.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7749999999999844 Angstroms and c = -2.898562862293402 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 17.875 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 = 17.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.7875000000000156 Angstroms and c = -2.918975276816646 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 18.0 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 = 18.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.800000000000047 Angstroms and c = -2.93938769133989 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 18.125 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 = 18.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.8125 Angstroms and c = -2.959800105863007 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 18.25 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 = 18.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.8250000000000313 Angstroms and c = -2.9802125203862513 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 18.375 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 = 18.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.8374999999999844 Angstroms and c = -3.0006249349093674 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 18.5 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 = 18.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.8500000000000156 Angstroms and c = -3.021037349432612 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 18.625 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 = 18.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.862500000000047 Angstroms and c = -3.041449763955856 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 18.75 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 = 18.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.875 Angstroms and c = -3.0618621784789726 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 18.875 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 = 18.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.8875000000000313 Angstroms and c = -3.0822745930022166 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 19.0 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 = 19.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.8999999999999844 Angstroms and c = -3.102687007525333 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 19.125 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 = 19.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.9125000000000156 Angstroms and c = -3.1230994220485777 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 19.25 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 = 19.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.925000000000047 Angstroms and c = -3.1435118365718218 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 19.375 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 = 19.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.9375 Angstroms and c = -3.1639242510949384 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 19.5 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 = 19.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.9500000000000313 Angstroms and c = -3.1843366656181824 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = 19.625 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 = 19.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.9624999999999844 Angstroms and c = -3.204749080141299 Angstroms; the model cutoff was estimated to be 19.528300006389543 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 = [5.18595616] Angstroms and c = 6.774904757299094 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.125391
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 5.187302250706046, c = 8.464216255610891, total energy = -3.1253913443351085

Attempting to perform relaxation using initial lattice constant guess of a = [5.18595616] Angstroms and c = 7.1983363046302875 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.125391
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 5.187302305293788, c = 8.464216022338562, total energy = -3.1253913443351045

Attempting to perform relaxation using initial lattice constant guess of a = [5.18595616] Angstroms and c = 7.621767851961481 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.125391
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 5.187302362560924, c = 8.464216103728077, total energy = -3.1253913443351027

Attempting to perform relaxation using initial lattice constant guess of a = [5.18595616] Angstroms and c = 8.045199399292674 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.125391
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 5.187302425627488, c = 8.46421625646964, total energy = -3.125391344335112

Attempting to perform relaxation using initial lattice constant guess of a = [5.18595616] Angstroms and c = 8.468630946623868 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.125391
         Iterations: 70
         Function evaluations: 157
Results for this minimization:
  a = 5.1873023345504325, c = 8.464216319434206, total energy = -3.1253913443351067

Attempting to perform relaxation using initial lattice constant guess of a = [5.18595616] Angstroms and c = 8.892062493955063 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.125391
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 5.187302341402458, c = 8.464216187514834, total energy = -3.1253913443351085

Attempting to perform relaxation using initial lattice constant guess of a = [5.18595616] Angstroms and c = 9.315494041286255 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.125391
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 5.187302436174747, c = 8.464216190817801, total energy = -3.125391344335103

Attempting to perform relaxation using initial lattice constant guess of a = [5.18595616] Angstroms and c = 9.738925588617448 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.125391
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 5.187302484790093, c = 8.464216233915918, total energy = -3.125391344335106

Attempting to perform relaxation using initial lattice constant guess of a = [5.18595616] Angstroms and c = 10.162357135948643 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -3.125391
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 5.187302322146938, c = 8.464216303236098, total energy = -3.1253913443351027

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

 Final lattice Constants:
   a = 5.187302425627488 Angstroms, c = 8.46421625646964 Angstroms, c/a = 1.631718

 Total energy: -3.125391344335112 eV

 Cohesive energy: -0.781347836083778 eV/atom

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