Element = Lattice = Model = Element: Nb
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 11.688599996566774 Angstroms
Computed isolated atomic energy of 0.0 eV for species Nb

==============================================================================
==============================================================================
 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 11.688599996566774 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 11.688599996566774 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -175.807892
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.1900307536125183, total energy = -175.80789188660685

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: -175.807892
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.1900307985954064, total energy = -175.80789188660805

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: -175.807892
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1900307899341027, total energy = -175.80789188660785

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: -175.807892
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.190030765533449, total energy = -175.80789188660694

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: -175.807892
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.1900307897012685, total energy = -175.80789188660796

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: -175.807892
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1900307536125183, total energy = -175.80789188660685

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: -175.807892
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.1900307899341023, total energy = -175.80789188660796

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: -175.807892
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.19003080353141, total energy = -175.80789188660856

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: -175.807892
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.190030796080828, total energy = -175.80789188660762

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: -175.807892
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.190030789934097, total energy = -175.80789188660793

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: -175.807892
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.1900307536125183, total energy = -175.8078918866069

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: -175.807892
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.1900307913310835, total energy = -175.8078918866077

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: -175.807892
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.190030797506917, total energy = -175.80789188660847

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: -175.807892
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 3.1900308085372675, total energy = -175.80789188660782

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: -175.807892
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.190030789934099, total energy = -175.80789188660788

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: -175.807892
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.1900307899923064, total energy = -175.807891886608

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: -175.807892
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.1900307655334474, total energy = -175.80789188660702

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: -175.807892
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.1900307967094705, total energy = -175.8078918866077

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: -175.807892
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.1900307897012685, total energy = -175.807891886608

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: -175.807892
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.1900308087002474, total energy = -175.80789188660785

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: -175.807892
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.1900307536125183, total energy = -175.8078918866069

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: -175.807892
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.190030814800409, total energy = -175.80789188660748

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: -175.807892
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.190030789934098, total energy = -175.807891886608

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: -175.807892
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.1900307893753066, total energy = -175.8078918866076

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: -175.807892
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.19003076632507, total energy = -175.807891886607

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: -175.807892
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.190030789701268, total energy = -175.807891886608

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: -175.807892
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1900307960808254, total energy = -175.80789188660768

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: -175.807892
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1900307904928917, total energy = -175.80789188660765

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: -175.807892
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1900307899340996, total energy = -175.807891886608

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: -175.807892
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1900308178213868, total energy = -175.8078918866078

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: -175.807892
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.1900307536125183, total energy = -175.80789188660685

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: -175.807892
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.190030813822518, total energy = -175.80789188660793

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: -175.807892
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.190030791331081, total energy = -175.80789188660776

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: -175.807892
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.1900308083131685, total energy = -175.80789188660756

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: -175.807892
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1900307975069118, total energy = -175.8078918866082

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: -175.807892
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1900308181357104, total energy = -175.80789188660736

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: -175.807892
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1900308038515464, total energy = -175.80789188660782

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: -175.807892
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.190030792559263, total energy = -175.80789188660856

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: -175.807892
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.1900307904928855, total energy = -175.8078918866082

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: -175.807892
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1900308148004077, total energy = -175.80789188660762

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: -175.807892
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1900307899923064, total energy = -175.80789188660796

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: -175.807892
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.1900307960109764, total energy = -175.80789188660822

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: -175.807892
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1900307655334412, total energy = -175.80789188660705

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: -175.807892
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.190030810443561, total energy = -175.80789188660773

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: -175.807892
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1900307955307614, total energy = -175.807891886608

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: -175.807892
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.190030775112973, total energy = -175.80789188660802

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: -175.807892
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1900307897012667, total energy = -175.80789188660788

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: -175.807892
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.190030767372804, total energy = -175.807891886607

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: -175.807892
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.190030810050657, total energy = -175.80789188660827

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: -175.807892
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.190030806511637, total energy = -175.80789188660748

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: -175.807892
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1900307536125183, total energy = -175.80789188660682

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: -175.807892
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.190030795778151, total energy = -175.80789188660805

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: -175.807892
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1900308148003984, total energy = -175.80789188660793

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: -175.807892
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.1900307923089626, total energy = -175.80789188660745

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: -175.807892
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.1900307899340943, total energy = -175.80789188660782

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: -175.807892
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.1900308019685326, total energy = -175.8078918866081

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: -175.807892
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.190030789471353, total energy = -175.8078918866076

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: -175.807892
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.190030809608274, total energy = -175.80789188660776

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: -175.807892
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1900307663250627, total energy = -175.8078918866073

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: -175.807892
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.1900308114825693, total energy = -175.80789188660793

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: -175.807892
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.1900308055919595, total energy = -175.8078918866085

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: -175.807892
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 3.190030796432988, total energy = -175.80789188660808

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: -175.807892
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.1900308044627184, total energy = -175.80789188660748

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: -175.807892
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.190030809491863, total energy = -175.80789188660722

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: -175.807892
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.190030790492888, total energy = -175.80789188660805

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: -175.807892
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.1900308078002126, total energy = -175.8078918866079

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: -175.807892
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.190030789934103, total energy = -175.80789188660802

Attempting to perform relaxation using initial lattice constant guess of a = 9.625 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 = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 11.688599996566774 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 = 9.75 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 = 9.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9750000000000156 Angstroms and c = -1.5921683328090912 Angstroms; the model cutoff was estimated to be 11.688599996566774 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 = 9.875 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 = 9.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9875000000000078 Angstroms and c = -1.6125807473322717 Angstroms; the model cutoff was estimated to be 11.688599996566774 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 11.688599996566774 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 11.688599996566774 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 11.688599996566774 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 11.688599996566774 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 11.688599996566774 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 11.688599996566774 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 11.688599996566774 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 10.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 11.688599996566774 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 11.688599996566774 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 11.688599996566774 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 11.688599996566774 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 11.688599996566774 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 11.688599996566774 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 11.688599996566774 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 11.688599996566774 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 = [3.1900308] Angstroms and c = 4.167438790620037 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -175.807892
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.1900095804690136, c = 5.209367740082911, total energy = -175.8078921894659

Attempting to perform relaxation using initial lattice constant guess of a = [3.1900308] Angstroms and c = 4.427903715033789 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -175.807892
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 3.190009614195368, c = 5.209367707882151, total energy = -175.80789218946583

Attempting to perform relaxation using initial lattice constant guess of a = [3.1900308] Angstroms and c = 4.688368639447542 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -175.807892
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.190009597407461, c = 5.209367701162909, total energy = -175.80789218946597

Attempting to perform relaxation using initial lattice constant guess of a = [3.1900308] Angstroms and c = 4.948833563861294 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -175.807892
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 3.1900096260039423, c = 5.209367749146883, total energy = -175.80789218946592

Attempting to perform relaxation using initial lattice constant guess of a = [3.1900308] Angstroms and c = 5.209298488275047 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -175.807892
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 3.1900096071048765, c = 5.209367795285722, total energy = -175.8078921894664

Attempting to perform relaxation using initial lattice constant guess of a = [3.1900308] Angstroms and c = 5.469763412688799 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -175.807892
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.190009587068856, c = 5.209367749504528, total energy = -175.80789218946623

Attempting to perform relaxation using initial lattice constant guess of a = [3.1900308] Angstroms and c = 5.7302283371025515 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -175.807892
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 3.1900095932794676, c = 5.209367712932702, total energy = -175.80789218946614

Attempting to perform relaxation using initial lattice constant guess of a = [3.1900308] Angstroms and c = 5.990693261516304 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -175.807892
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 3.1900095614845823, c = 5.20936784552706, total energy = -175.80789218946572

Attempting to perform relaxation using initial lattice constant guess of a = [3.1900308] Angstroms and c = 6.2511581859300565 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -175.807892
         Iterations: 79
         Function evaluations: 165
Results for this minimization:
  a = 3.190009551425139, c = 5.209367776530286, total energy = -175.80789218946572

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

 Final lattice Constants:
   a = 3.1900096071048765 Angstroms, c = 5.209367795285722 Angstroms, c/a = 1.633026

 Total energy: -175.8078921894664 eV

 Cohesive energy: -43.9519730473666 eV/atom

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