Element = Lattice = Model = Element: Yb
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 13.327800003364697 Angstroms
Computed isolated atomic energy of 0.0 eV for species Yb

==============================================================================
==============================================================================
 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 13.327800003364697 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 13.327800003364697 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 13.327800003364697 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))

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.637409082520762, total energy = -4.343368237096837

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

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.637409081496304, total energy = -4.343368237096823

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

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6374091074219934, total energy = -4.343368237096836

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: -4.343368
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.637409113510512, total energy = -4.3433682370968185

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: -4.343368
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.637409136048518, total energy = -4.343368237096832

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: -4.343368
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.637409086152915, total energy = -4.343368237096816

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: -4.343368
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6374090955127043, total energy = -4.343368237096822

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: -4.343368
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6374091025209063, total energy = -4.343368237096823

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: -4.343368
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6374090829864114, total energy = -4.343368237096822

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: -4.343368
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.6374091354664415, total energy = -4.343368237096831

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: -4.343368
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.637409125082198, total energy = -4.343368237096828

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: -4.343368
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.637409082520755, total energy = -4.343368237096831

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: -4.343368
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.6374091241508726, total energy = -4.343368237096831

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: -4.343368
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.6374091066420084, total energy = -4.343368237096823

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: -4.343368
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.6374091263860464, total energy = -4.343368237096835

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: -4.343368
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.6374091535806667, total energy = -4.343368237096804

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: -4.343368
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.6374090800993137, total energy = -4.343368237096835

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: -4.343368
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.6374091149773458, total energy = -4.343368237096824

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: -4.343368
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.637409129162552, total energy = -4.343368237096834

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: -4.343368
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.637409136048518, total energy = -4.343368237096832

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: -4.343368
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.6374090807512403, total energy = -4.343368237096816

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: -4.343368
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.6374090880155547, total energy = -4.34336823709682

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: -4.343368
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.6374091491103178, total energy = -4.3433682370968105

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: -4.343368
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.6374090820550906, total energy = -4.343368237096818

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: -4.343368
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 3.6374091263860464, total energy = -4.343368237096834

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: -4.343368
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.6374091044068315, total energy = -4.3433682370968185

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: -4.343368
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.6374091184290593, total energy = -4.34336823709684

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: -4.343368
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.637409082986415, total energy = -4.343368237096821

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: -4.343368
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.6374091535806645, total energy = -4.343368237096805

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: -4.343368
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.6374091354664415, total energy = -4.343368237096828

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: -4.343368
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.6374091045261556, total energy = -4.343368237096827

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: -4.343368
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.6374090800993133, total energy = -4.34336823709683

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: -4.343368
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6374090810539212, total energy = -4.343368237096822

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: -4.343368
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6374090825207497, total energy = -4.343368237096822

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: -4.343368
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6374090908648213, total energy = -4.343368237096817

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: -4.343368
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.637409124150868, total energy = -4.3433682370968265

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: -4.343368
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.637409106691483, total energy = -4.343368237096829

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: -4.343368
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6374091088771756, total energy = -4.343368237096822

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: -4.343368
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.6374091338831906, total energy = -4.34336823709684

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: -4.343368
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.6374091263860464, total energy = -4.343368237096834

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: -4.343368
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6374090820550906, total energy = -4.343368237096819

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: -4.343368
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.6374091535806614, total energy = -4.343368237096804

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: -4.343368
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.637409081617073, total energy = -4.343368237096828

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: -4.343368
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.63740908009931, total energy = -4.34336823709683

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: -4.343368
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6374090836252435, total energy = -4.3433682370968265

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: -4.343368
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6374091133475286, total energy = -4.343368237096814

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: -4.343368
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.637409126339475, total energy = -4.343368237096824

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: -4.343368
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6374091127887302, total energy = -4.343368237096827

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: -4.343368
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.637409115862097, total energy = -4.343368237096824

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: -4.343368
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.637409136048518, total energy = -4.343368237096834

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: -4.343368
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.637409105239207, total energy = -4.343368237096835

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: -4.343368
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.637409086886316, total energy = -4.343368237096819

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: -4.343368
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.6374090800993057, total energy = -4.343368237096825

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: -4.343368
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6374090882018164, total energy = -4.343368237096822

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: -4.343368
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.637409117713105, total energy = -4.343368237096829

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: -4.343368
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6374091491103213, total energy = -4.3433682370968105

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: -4.343368
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.63740913546643, total energy = -4.343368237096824

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: -4.343368
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6374090820550835, total energy = -4.343368237096826

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: -4.343368
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.637409117189232, total energy = -4.343368237096834

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: -4.343368
         Iterations: 41
         Function evaluations: 91
Results for this minimization:
  a = 3.6374091263860464, total energy = -4.343368237096832

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: -4.343368
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.6374091135454405, total energy = -4.34336823709682

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: -4.343368
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.637409104406821, total energy = -4.343368237096822

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: -4.343368
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.63740910930209, total energy = -4.343368237096841

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: -4.343368
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.637409118429056, total energy = -4.343368237096835

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: -4.343368
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.637409135699272, total energy = -4.343368237096825

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: -4.343368
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.637409082986418, total energy = -4.343368237096825

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: -4.343368
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.637409134127652, total energy = -4.343368237096826

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: -4.343368
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.637409117713097, total energy = -4.343368237096828

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: -4.343368
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.637409124895926, total energy = -4.343368237096834

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: -4.343368
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.637409083545208, total energy = -4.343368237096824

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: -4.343368
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.637409101787494, total energy = -4.343368237096821

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: -4.343368
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.6374091045261454, total energy = -4.343368237096827

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: -4.343368
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.637409114558241, total energy = -4.34336823709683

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: -4.343368
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.637409080588254, total energy = -4.343368237096827

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: -4.343368
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.6374091263860464, total energy = -4.343368237096829

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: -4.343368
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.637409079051581, total energy = -4.343368237096818

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: -4.343368
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.6374091127887227, total energy = -4.343368237096829

Attempting to perform relaxation using initial lattice constant guess of a = 11.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1125000000000078 Angstroms and c = -1.816704892564203 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.125 Angstroms and c = -1.8371173070873836 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1374999999999922 Angstroms and c = -1.857529721610564 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1500000000000234 Angstroms and c = -1.8779421361338082 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1625000000000156 Angstroms and c = -1.8983545506569885 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1750000000000078 Angstroms and c = -1.9187669651801689 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1875 Angstroms and c = -1.9391793797033494 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2000000000000313 Angstroms and c = -1.9595917942265935 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2125000000000057 Angstroms and c = -1.980004208749745 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2250000000000156 Angstroms and c = -2.000416623272954 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2375000000000256 Angstroms and c = -2.0208290377961635 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.25 Angstroms and c = -2.041241452319315 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2625000000000313 Angstroms and c = -2.0616538668425592 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2750000000000057 Angstroms and c = -2.0820662813657105 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2875000000000156 Angstroms and c = -2.10247869588892 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3000000000000256 Angstroms and c = -2.1228911104121293 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3125 Angstroms and c = -2.143303524935281 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3250000000000313 Angstroms and c = -2.163715939458525 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3375000000000057 Angstroms and c = -2.1841283539816763 Angstroms; the model cutoff was estimated to be 13.327800003364697 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [3.63740911] Angstroms and c = 4.751891361888835 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.6373849317032763, c = 5.9399431851321305, total energy = -4.343368244578996

Attempting to perform relaxation using initial lattice constant guess of a = [3.63740911] Angstroms and c = 5.048884572006887 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 3.637384918044346, c = 5.939943223849782, total energy = -4.343368244579004

Attempting to perform relaxation using initial lattice constant guess of a = [3.63740911] Angstroms and c = 5.34587778212494 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 3.6373849143338024, c = 5.9399431210982865, total energy = -4.343368244578994

Attempting to perform relaxation using initial lattice constant guess of a = [3.63740911] Angstroms and c = 5.642870992242992 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 3.6373849037724013, c = 5.939943143563147, total energy = -4.343368244579003

Attempting to perform relaxation using initial lattice constant guess of a = [3.63740911] Angstroms and c = 5.939864202361044 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 3.637384926011637, c = 5.939943147521284, total energy = -4.343368244579001

Attempting to perform relaxation using initial lattice constant guess of a = [3.63740911] Angstroms and c = 6.236857412479097 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.637384929624741, c = 5.939943125742774, total energy = -4.343368244579001

Attempting to perform relaxation using initial lattice constant guess of a = [3.63740911] Angstroms and c = 6.533850622597149 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 3.6373849327702876, c = 5.939943239972204, total energy = -4.343368244579022

Attempting to perform relaxation using initial lattice constant guess of a = [3.63740911] Angstroms and c = 6.8308438327152015 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 3.6373849364888287, c = 5.939943087569307, total energy = -4.343368244578998

Attempting to perform relaxation using initial lattice constant guess of a = [3.63740911] Angstroms and c = 7.127837042833254 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.343368
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.6373849137415823, c = 5.939943225594033, total energy = -4.343368244579003

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

 Final lattice Constants:
   a = 3.6373849327702876 Angstroms, c = 5.939943239972204 Angstroms, c/a = 1.633026

 Total energy: -4.343368244579022 eV

 Cohesive energy: -1.0858420611447555 eV/atom

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