Element = Lattice = Model = Element: Np
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 13.541699999868879 Angstroms
Computed isolated atomic energy of 0.0 eV for species Np

==============================================================================
==============================================================================
 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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: -97.167200
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.6957699229242396, total energy = -97.16719996164859

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: -97.167200
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.695769944717182, total energy = -97.16719996164838

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: -97.167200
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.69576991228387, total energy = -97.1671999616486

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: -97.167200
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6957699404563753, total energy = -97.16719996164906

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: -97.167200
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.695769913494587, total energy = -97.16719996164834

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: -97.167200
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.6957699075341264, total energy = -97.16719996164844

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: -97.167200
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6957699002698083, total energy = -97.1671999616482

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: -97.167200
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6957699093909464, total energy = -97.16719996164835

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: -97.167200
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.6957699113350797, total energy = -97.16719996164862

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: -97.167200
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.6957699423655868, total energy = -97.16719996164866

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: -97.167200
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6957698876503864, total energy = -97.16719996164872

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: -97.167200
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.6957699149206786, total energy = -97.16719996164855

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: -97.167200
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.6957699382910514, total energy = -97.16719996164827

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: -97.167200
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.695769944787028, total energy = -97.16719996164827

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: -97.167200
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.6957699245976983, total energy = -97.16719996164838

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: -97.167200
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.6957699122838674, total energy = -97.16719996164849

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: -97.167200
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.6957699000136937, total energy = -97.16719996164856

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: -97.167200
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.6957699404563757, total energy = -97.16719996164903

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: -97.167200
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.6957699269056326, total energy = -97.16719996164841

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: -97.167200
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.695769924670458, total energy = -97.1671999616484

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: -97.167200
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.695769918709992, total energy = -97.1671999616486

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: -97.167200
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.6957699373364448, total energy = -97.16719996164828

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: -97.167200
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.6957699083257474, total energy = -97.16719996164841

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: -97.167200
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.6957699002698057, total energy = -97.16719996164827

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: -97.167200
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.6957699336926453, total energy = -97.16719996164845

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: -97.167200
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.6957699093909446, total energy = -97.16719996164834

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: -97.167200
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.695769927930086, total energy = -97.1671999616485

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: -97.167200
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.6957699149847043, total energy = -97.16719996164841

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: -97.167200
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.695769915310663, total energy = -97.16719996164849

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: -97.167200
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6957699423655868, total energy = -97.16719996164852

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: -97.167200
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6957699205129724, total energy = -97.16719996164863

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: -97.167200
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6957698856334886, total energy = -97.16719996164798

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: -97.167200
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.695769891579403, total energy = -97.1671999616485

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: -97.167200
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6957699170336102, total energy = -97.16719996164849

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: -97.167200
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.6957699379418045, total energy = -97.16719996164832

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: -97.167200
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6957699303922675, total energy = -97.16719996164856

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: -97.167200
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.695769907260545, total energy = -97.16719996164856

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: -97.167200
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.695769944717172, total energy = -97.1671999616482

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: -97.167200
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6957698925398255, total energy = -97.16719996164836

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: -97.167200
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6957699336926453, total energy = -97.16719996164838

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: -97.167200
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.6957699018035752, total energy = -97.16719996164834

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: -97.167200
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.695769912283863, total energy = -97.16719996164845

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: -97.167200
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.695769892862876, total energy = -97.16719996164841

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: -97.167200
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6957699000136905, total energy = -97.16719996164858

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: -97.167200
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.695769907317299, total energy = -97.16719996164836

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: -97.167200
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.6957699404563735, total energy = -97.16719996164906

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: -97.167200
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.6957699294725854, total energy = -97.16719996164832

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: -97.167200
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6957699269056254, total energy = -97.16719996164856

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: -97.167200
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.695769920572635, total energy = -97.16719996164848

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: -97.167200
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.695769913494587, total energy = -97.16719996164832

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: -97.167200
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.6957699052873094, total energy = -97.16719996164824

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: -97.167200
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6957699187099813, total energy = -97.16719996164873

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: -97.167200
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.6957699201040586, total energy = -97.16719996164852

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: -97.167200
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.69576990678906, total energy = -97.16719996164845

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: -97.167200
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.695769916426798, total energy = -97.16719996164859

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: -97.167200
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.695769908325751, total energy = -97.16719996164841

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: -97.167200
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.69576993063091, total energy = -97.16719996164858

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: -97.167200
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.695769903436295, total energy = -97.1671999616485

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: -97.167200
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.695769933471452, total energy = -97.16719996164849

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: -97.167200
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.6957699336926453, total energy = -97.1671999616484

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: -97.167200
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.695769958570604, total energy = -97.16719996164802

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: -97.167200
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.6957699056714644, total energy = -97.16719996164832

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: -97.167200
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6957698766142046, total energy = -97.16719996164804

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: -97.167200
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.695769938267763, total energy = -97.1671999616485

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: -97.167200
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.695769922924228, total energy = -97.16719996164849

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: -97.167200
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.695769914984708, total energy = -97.16719996164836

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: -97.167200
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.695769924973125, total energy = -97.16719996164878

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: -97.167200
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.695769915310656, total energy = -97.16719996164845

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: -97.167200
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.695769887650381, total energy = -97.16719996164856

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: -97.167200
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.6957699423655868, total energy = -97.16719996164841

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: -97.167200
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.6957699245307642, total energy = -97.16719996164875

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: -97.167200
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.6957699224818366, total energy = -97.16719996164845

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: -97.167200
         Iterations: 43
         Function evaluations: 94
Results for this minimization:
  a = 3.6957699021149795, total energy = -97.16719996164856

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: -97.167200
         Iterations: 44
         Function evaluations: 92
Results for this minimization:
  a = 3.6957699199207084, total energy = -97.16719996164849

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: -97.167200
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.695769878104329, total energy = -97.16719996164788

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: -97.167200
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.695769930374813, total energy = -97.16719996164842

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: -97.167200
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.695769926905618, total energy = -97.16719996164855

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: -97.167200
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.6957699211314226, total energy = -97.16719996164868

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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 13.541699999868879 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 = 13.5 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 = 13.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3500000000000156 Angstroms and c = -2.2045407685048857 Angstroms; the model cutoff was estimated to be 13.541699999868879 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 = 13.625 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 = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 13.541699999868879 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 = [3.69576994] Angstroms and c = 4.828133632444954 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -97.167200
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.695745332543156, c = 6.035247293321547, total energy = -97.16720012903518

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 5.129891984472764 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -97.167200
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.6957453596147043, c = 6.035247245204461, total energy = -97.16720012903521

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 5.431650336500574 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -97.167200
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.6957453398801694, c = 6.035247329985333, total energy = -97.167200129035

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 5.733408688528384 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -97.167200
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 3.695745401429491, c = 6.03524727285041, total energy = -97.16720012903477

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 6.035167040556194 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -97.167200
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 3.6957453370500524, c = 6.035247185532653, total energy = -97.16720012903536

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 6.336925392584004 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -97.167200
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.6957453172565065, c = 6.035247252862735, total energy = -97.16720012903491

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 6.638683744611814 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -97.167200
         Iterations: 77
         Function evaluations: 158
Results for this minimization:
  a = 3.6957453732813015, c = 6.035247242008763, total energy = -97.16720012903498

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 6.940442096639624 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -97.167200
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 3.695745353197398, c = 6.035247231824199, total energy = -97.1672001290351

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 7.242200448667434 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -97.167200
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.695745342804609, c = 6.035247321270545, total energy = -97.16720012903524

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

 Final lattice Constants:
   a = 3.6957453370500524 Angstroms, c = 6.035247185532653 Angstroms, c/a = 1.633026

 Total energy: -97.16720012903536 eV

 Cohesive energy: -24.29180003225884 eV/atom

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