Element = Lattice = Model = Element: Er
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 13.470399999916564 Angstroms
Computed isolated atomic energy of 0.0 eV for species Er

==============================================================================
==============================================================================
 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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: -24.607043
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6763163208961593, total energy = -24.607042752738003

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: -24.607043
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.6763163208961536, total energy = -24.607042752738067

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: -24.607043
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6763163173222013, total energy = -24.607042752737982

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: -24.607043
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6763163698837156, total energy = -24.607042752737808

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: -24.607043
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.6763163208961487, total energy = -24.60704275273804

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: -24.607043
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6763163212686814, total energy = -24.607042752738085

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: -24.607043
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.6763162965071405, total energy = -24.60704275273796

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: -24.607043
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.6763163113966595, total energy = -24.607042752738092

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: -24.607043
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.676316311396655, total energy = -24.607042752738106

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: -24.607043
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.6763163208961487, total energy = -24.60704275273803

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: -24.607043
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6763163291383556, total energy = -24.60704275273796

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: -24.607043
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.6763163208961522, total energy = -24.607042752738035

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: -24.607043
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.676316308230163, total energy = -24.607042752737996

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: -24.607043
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.67631632089615, total energy = -24.607042752738042

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: -24.607043
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.676316318451427, total energy = -24.60704275273799

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: -24.607043
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.6763163173221987, total energy = -24.60704275273798

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: -24.607043
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.676316349953413, total energy = -24.607042752737893

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: -24.607043
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.676316369883716, total energy = -24.6070427527378

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: -24.607043
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.676316327601671, total energy = -24.607042752737982

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: -24.607043
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.6763163208961487, total energy = -24.607042752738035

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: -24.607043
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.6763162925839423, total energy = -24.607042752738067

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: -24.607043
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.676316321268677, total energy = -24.607042752738092

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: -24.607043
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.676316320896149, total energy = -24.60704275273803

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: -24.607043
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.676316296507138, total energy = -24.60704275273797

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: -24.607043
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.6763163159776013, total energy = -24.60704275273801

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: -24.607043
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6763163113966577, total energy = -24.60704275273811

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: -24.607043
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6763163057388732, total energy = -24.607042752738007

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: -24.607043
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.6763163113966595, total energy = -24.607042752738078

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: -24.607043
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.676316271163521, total energy = -24.6070427527379

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: -24.607043
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.6763163208961487, total energy = -24.60704275273803

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: -24.607043
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6763163024559598, total energy = -24.60704275273812

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: -24.607043
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6763163259602143, total energy = -24.607042752737957

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: -24.607043
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.676316313934513, total energy = -24.607042752737968

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: -24.607043
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.676316320896147, total energy = -24.607042752738025

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: -24.607043
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.676316305529326, total energy = -24.607042752737943

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: -24.607043
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.6763163082301586, total energy = -24.607042752737986

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: -24.607043
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.67631634217978, total energy = -24.607042752737964

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: -24.607043
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.676316320896143, total energy = -24.607042752738028

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: -24.607043
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6763162971939867, total energy = -24.607042752738003

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: -24.607043
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.676316318451427, total energy = -24.60704275273799

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: -24.607043
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.676316295121794, total energy = -24.607042752738042

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: -24.607043
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.6763163139927157, total energy = -24.607042752737968

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: -24.607043
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.676316350325936, total energy = -24.607042752737947

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: -24.607043
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.676316305634096, total energy = -24.60704275273802

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: -24.607043
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.6763163208961487, total energy = -24.60704275273805

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: -24.607043
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.676316369802223, total energy = -24.607042752737808

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: -24.607043
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.676316311396653, total energy = -24.6070427527381

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: -24.607043
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.676316327601664, total energy = -24.60704275273795

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: -24.607043
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.6763163041206974, total energy = -24.60704275273809

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: -24.607043
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6763163208961487, total energy = -24.607042752738057

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: -24.607043
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6763163089402995, total energy = -24.607042752738145

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: -24.607043
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6763162925839317, total energy = -24.60704275273806

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: -24.607043
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6763163340277885, total energy = -24.60704275273797

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: -24.607043
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.6763163212686734, total energy = -24.607042752738078

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: -24.607043
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.676316318778845, total energy = -24.607042752738018

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: -24.607043
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.6763163208961527, total energy = -24.60704275273801

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: -24.607043
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.676316327042866, total energy = -24.607042752737925

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: -24.607043
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6763163216411985, total energy = -24.60704275273804

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: -24.607043
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.676316325366493, total energy = -24.607042752737932

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: -24.607043
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.6763163159776013, total energy = -24.607042752738

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: -24.607043
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.6763163592666435, total energy = -24.607042752737932

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: -24.607043
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.676316321350156, total energy = -24.607042752738003

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: -24.607043
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.676316335384028, total energy = -24.60704275273798

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: -24.607043
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.676316304877396, total energy = -24.60704275273799

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: -24.607043
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.6763163254363462, total energy = -24.607042752737986

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: -24.607043
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.676316311396663, total energy = -24.60704275273811

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: -24.607043
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.6763163159979606, total energy = -24.60704275273804

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: -24.607043
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.676316271163514, total energy = -24.6070427527379

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: -24.607043
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.67631633440032, total energy = -24.60704275273802

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: -24.607043
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.6763163208961487, total energy = -24.607042752738046

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: -24.607043
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.676316333137224, total energy = -24.607042752737986

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: -24.607043
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.676316317729639, total energy = -24.60704275273802

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: -24.607043
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.676316309161475, total energy = -24.60704275273796

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: -24.607043
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 3.6763163051800754, total energy = -24.607042752738103

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: -24.607043
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.676316285622306, total energy = -24.60704275273789

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: -24.607043
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.6763163139345165, total energy = -24.607042752737975

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: -24.607043
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.6763163113966444, total energy = -24.6070427527381

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: -24.607043
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.67631632089614, total energy = -24.607042752738035

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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 13.470399999916564 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 = [3.67631631] Angstroms and c = 4.802719514653748 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.607043
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 3.676291873468047, c = 6.003479285072769, total energy = -24.607042795127796

Attempting to perform relaxation using initial lattice constant guess of a = [3.67631631] Angstroms and c = 5.102889484319607 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.607043
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 3.6762918619942937, c = 6.00347919131549, total energy = -24.60704279512769

Attempting to perform relaxation using initial lattice constant guess of a = [3.67631631] Angstroms and c = 5.403059453985466 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.607043
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 3.6762918836043785, c = 6.0034792003526585, total energy = -24.60704279512776

Attempting to perform relaxation using initial lattice constant guess of a = [3.67631631] Angstroms and c = 5.703229423651325 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.607043
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 3.6762918605987087, c = 6.003479216197919, total energy = -24.607042795127715

Attempting to perform relaxation using initial lattice constant guess of a = [3.67631631] Angstroms and c = 6.003399393317184 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.607043
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 3.6762918790845536, c = 6.003479212130356, total energy = -24.607042795127718

Attempting to perform relaxation using initial lattice constant guess of a = [3.67631631] Angstroms and c = 6.303569362983043 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.607043
         Iterations: 77
         Function evaluations: 159
Results for this minimization:
  a = 3.6762918399647218, c = 6.003479226372088, total energy = -24.607042795127693

Attempting to perform relaxation using initial lattice constant guess of a = [3.67631631] Angstroms and c = 6.603739332648902 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.607043
         Iterations: 74
         Function evaluations: 150
Results for this minimization:
  a = 3.6762918728971865, c = 6.0034792897357985, total energy = -24.60704279512769

Attempting to perform relaxation using initial lattice constant guess of a = [3.67631631] Angstroms and c = 6.903909302314761 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.607043
         Iterations: 78
         Function evaluations: 159
Results for this minimization:
  a = 3.67629185039773, c = 6.003479131063768, total energy = -24.60704279512761

Attempting to perform relaxation using initial lattice constant guess of a = [3.67631631] Angstroms and c = 7.20407927198062 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -24.607043
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 3.67629187439851, c = 6.003479216667056, total energy = -24.607042795127676

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

 Final lattice Constants:
   a = 3.676291873468047 Angstroms, c = 6.003479285072769 Angstroms, c/a = 1.633026

 Total energy: -24.607042795127796 eV

 Cohesive energy: -6.151760698781949 eV/atom

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