Element = Lattice = Model = Element: Cs
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 17.390299999415777 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cs

==============================================================================
==============================================================================
 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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))

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.746144438907505, total energy = -13.877633613871005

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: -13.877634
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.746144399046898, total energy = -13.877633613870994

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: -13.877634
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.746144390106208, total energy = -13.877633613870941

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: -13.877634
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.74614444295876, total energy = -13.877633613871037

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: -13.877634
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.746144417033065, total energy = -13.877633613871064

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: -13.877634
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.746144450828428, total energy = -13.877633613871021

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: -13.877634
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.74614444677718, total energy = -13.877633613871073

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: -13.877634
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.746144458139319, total energy = -13.877633613871069

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: -13.877634
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 4.746144486963756, total energy = -13.877633613870966

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: -13.877634
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.746144434972667, total energy = -13.877633613871062

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: -13.877634
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.746144399046901, total energy = -13.877633613870955

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: -13.877634
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 4.746144423261285, total energy = -13.877633613871026

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: -13.877634
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.746144398895559, total energy = -13.877633613871033

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: -13.877634
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.74614443306346, total energy = -13.877633613871039

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: -13.877634
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.746144457161429, total energy = -13.87763361387107

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: -13.877634
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 4.746144437720069, total energy = -13.877633613871032

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: -13.877634
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.746144399046898, total energy = -13.877633613870996

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: -13.877634
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.746144419349732, total energy = -13.877633613871037

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: -13.877634
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.746144390106204, total energy = -13.877633613870945

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: -13.877634
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.746144402958452, total energy = -13.87763361387102

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: -13.877634
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.746144442958759, total energy = -13.87763361387103

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: -13.877634
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.746144446078688, total energy = -13.877633613871009

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: -13.877634
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.746144417033067, total energy = -13.877633613871065

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: -13.877634
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.74614442635793, total energy = -13.877633613871021

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: -13.877634
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.746144450828432, total energy = -13.877633613871017

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: -13.877634
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 4.746144457161426, total energy = -13.87763361387107

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: -13.877634
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.74614444677718, total energy = -13.877633613871073

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: -13.877634
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.746144453436136, total energy = -13.877633613871053

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: -13.877634
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.746144457161426, total energy = -13.877633613871074

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: -13.877634
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.746144466385885, total energy = -13.877633613871028

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: -13.877634
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.746144486963747, total energy = -13.877633613870989

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: -13.877634
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.74614444427425, total energy = -13.87763361387099

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: -13.877634
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.746144434972665, total energy = -13.877633613871058

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: -13.877634
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.746144424186785, total energy = -13.877633613871065

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: -13.877634
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.746144439838822, total energy = -13.877633613871069

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: -13.877634
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.746144446078686, total energy = -13.877633613871005

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: -13.877634
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.746144423188525, total energy = -13.877633613871021

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: -13.877634
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.746144405752417, total energy = -13.877633613871003

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: -13.877634
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.746144398895554, total energy = -13.87763361387103

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: -13.877634
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.746144445054229, total energy = -13.877633613871103

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: -13.877634
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.746144433534934, total energy = -13.877633613871094

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: -13.877634
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.746144450211432, total energy = -13.877633613871085

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: -13.877634
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.746144457161427, total energy = -13.877633613871078

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: -13.877634
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.746144442423243, total energy = -13.877633613871057

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: -13.877634
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.746144437720062, total energy = -13.877633613871017

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: -13.877634
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.7461444441927565, total energy = -13.87763361387099

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: -13.877634
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.746144466102123, total energy = -13.87763361387102

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: -13.877634
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.746144420001659, total energy = -13.877633613871025

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: -13.877634
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.746144419349723, total energy = -13.877633613871033

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: -13.877634
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.74614445716142, total energy = -13.877633613871085

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: -13.877634
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.746144390106199, total energy = -13.877633613870945

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: -13.877634
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.746144423355872, total energy = -13.877633613871026

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: -13.877634
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.746144402958457, total energy = -13.877633613871001

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: -13.877634
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.746144422655917, total energy = -13.877633613871023

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: -13.877634
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.746144444541999, total energy = -13.877633613871035

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: -13.877634
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.746144457899204, total energy = -13.877633613871037

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: -13.877634
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 4.746144446078688, total energy = -13.877633613871009

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: -13.877634
         Iterations: 40
         Function evaluations: 89
Results for this minimization:
  a = 4.746144425020615, total energy = -13.877633613871025

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: -13.877634
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.746144416090092, total energy = -13.877633613871

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: -13.877634
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.746144452574655, total energy = -13.877633613871051

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: -13.877634
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.746144437987818, total energy = -13.877633613871053

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: -13.877634
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.746144441960496, total energy = -13.877633613871097

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: -13.877634
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.746144450828435, total energy = -13.877633613871028

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: -13.877634
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.746144448034455, total energy = -13.877633613871053

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: -13.877634
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.746144457161419, total energy = -13.877633613871085

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: -13.877634
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.746144452318546, total energy = -13.877633613871033

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: -13.877634
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.74614444677718, total energy = -13.877633613871064

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: -13.877634
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.746144439978528, total energy = -13.877633613871065

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: -13.877634
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.746144453316799, total energy = -13.87763361387104

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: -13.877634
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.746144417603492, total energy = -13.877633613871

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: -13.877634
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.746144457161423, total energy = -13.877633613871085

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: -13.877634
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.746144452656154, total energy = -13.877633613871032

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: -13.877634
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.746144466323315, total energy = -13.877633613871035

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: -13.877634
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.7461444472995815, total energy = -13.877633613871044

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: -13.877634
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.74614448696374, total energy = -13.877633613870996

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: -13.877634
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.746144439838823, total energy = -13.877633613871069

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: -13.877634
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.7461444437503815, total energy = -13.87763361387099

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: -13.877634
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.74614445716143, total energy = -13.87763361387107

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: -13.877634
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 4.746144434972655, total energy = -13.877633613871048

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: -13.877634
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.74614446331033, total energy = -13.87763361387108

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: -13.877634
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.746144424186782, total energy = -13.877633613871083

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: -13.877634
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 4.746144449280109, total energy = -13.877633613871037

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: -13.877634
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.7461444167885745, total energy = -13.877633613871014

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: -13.877634
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.746144461981016, total energy = -13.877633613871035

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: -13.877634
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.746144450071725, total energy = -13.877633613871065

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: -13.877634
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.746144433692086, total energy = -13.877633613871017

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: -13.877634
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.746144423188525, total energy = -13.877633613871032

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: -13.877634
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.746144423261265, total energy = -13.877633613871017

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: -13.877634
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.746144405752415, total energy = -13.877633613870998

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: -13.877634
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.746144510546573, total energy = -13.877633613870962

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: -13.877634
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.746144398895543, total energy = -13.877633613871033

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: -13.877634
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.746144448115956, total energy = -13.877633613871087

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: -13.877634
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.74614442716118, total energy = -13.877633613871062

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: -13.877634
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.746144471969452, total energy = -13.877633613871017

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: -13.877634
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.746144478954365, total energy = -13.877633613871003

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: -13.877634
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.746144440956399, total energy = -13.877633613871021

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: -13.877634
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.746144446849939, total energy = -13.877633613871069

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: -13.877634
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.746144440572224, total energy = -13.877633613871033

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: -13.877634
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 4.7461444571614235, total energy = -13.877633613871087

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

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.746144441126662, total energy = -13.877633613871042

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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 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 17.390299999415777 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [4.74614445] Angstroms and c = 6.200337139161437 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 76
         Function evaluations: 163
Results for this minimization:
  a = 4.746112838929042, c = 7.750524492929634, total energy = -13.877633637777548

Attempting to perform relaxation using initial lattice constant guess of a = [4.74614445] Angstroms and c = 6.587858210359027 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 4.7461128740666965, c = 7.750524530617077, total energy = -13.877633637777581

Attempting to perform relaxation using initial lattice constant guess of a = [4.74614445] Angstroms and c = 6.9753792815566165 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 4.746112872929039, c = 7.750524398101853, total energy = -13.877633637777569

Attempting to perform relaxation using initial lattice constant guess of a = [4.74614445] Angstroms and c = 7.362900352754206 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 4.746112922952965, c = 7.750524416590011, total energy = -13.877633637777528

Attempting to perform relaxation using initial lattice constant guess of a = [4.74614445] Angstroms and c = 7.750421423951796 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 4.746112893347785, c = 7.750524508764371, total energy = -13.877633637777569

Attempting to perform relaxation using initial lattice constant guess of a = [4.74614445] Angstroms and c = 8.137942495149385 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 4.746112882472117, c = 7.750524560132211, total energy = -13.877633637777583

Attempting to perform relaxation using initial lattice constant guess of a = [4.74614445] Angstroms and c = 8.525463566346975 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 4.7461129097495025, c = 7.750524597288378, total energy = -13.877633637777548

Attempting to perform relaxation using initial lattice constant guess of a = [4.74614445] Angstroms and c = 8.912984637544564 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 78
         Function evaluations: 165
Results for this minimization:
  a = 4.746112879119252, c = 7.750524504225183, total energy = -13.8776336377776

Attempting to perform relaxation using initial lattice constant guess of a = [4.74614445] Angstroms and c = 9.300505708742154 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.877634
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 4.746112844865958, c = 7.750524541151208, total energy = -13.87763363777757

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

 Final lattice Constants:
   a = 4.746112879119252 Angstroms, c = 7.750524504225183 Angstroms, c/a = 1.633026

 Total energy: -13.8776336377776 eV

 Cohesive energy: -3.4694084094444 eV/atom

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