Element = Lattice = Model = Element: Am
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 12.828900007456566 Angstroms
Computed isolated atomic energy of 0.0 eV for species Am

==============================================================================
==============================================================================
 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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: -12.887849
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.501255774497995, total energy = -12.887849431418969

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: -12.887849
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5012557055801192, total energy = -12.887849431419056

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: -12.887849
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.501255716569725, total energy = -12.887849431419026

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: -12.887849
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5012556821107856, total energy = -12.887849431418994

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: -12.887849
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.5012557252775878, total energy = -12.88784943141904

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: -12.887849
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.50125572094694, total energy = -12.887849431419047

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: -12.887849
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.501255680201576, total energy = -12.887849431419031

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: -12.887849
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5012556921690705, total energy = -12.887849431419074

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: -12.887849
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5012557715177515, total energy = -12.88784943141891

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: -12.887849
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5012557171285152, total energy = -12.887849431419026

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: -12.887849
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.5012556977570073, total energy = -12.887849431419085

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: -12.887849
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.501255774497988, total energy = -12.887849431418948

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: -12.887849
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.501255713030697, total energy = -12.887849431419008

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: -12.887849
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.501255731354467, total energy = -12.887849431418948

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: -12.887849
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.5012557171285152, total energy = -12.887849431419035

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: -12.887849
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.5012557165697222, total energy = -12.887849431419037

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: -12.887849
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.501255692169071, total energy = -12.887849431419058

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: -12.887849
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.501255682110787, total energy = -12.88784943141899

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: -12.887849
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.5012556809931987, total energy = -12.887849431419008

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: -12.887849
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.5012557252775878, total energy = -12.887849431419045

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: -12.887849
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.5012556795263654, total energy = -12.887849431418976

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: -12.887849
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.501255720946937, total energy = -12.887849431419044

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: -12.887849
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.50125568434596, total energy = -12.887849431419024

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: -12.887849
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.5012556802015733, total energy = -12.88784943141903

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: -12.887849
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.501255732757272, total energy = -12.887849431419037

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: -12.887849
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.501255692169068, total energy = -12.887849431419053

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: -12.887849
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.50125568586518, total energy = -12.887849431419058

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: -12.887849
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.501255686802325, total energy = -12.887849431419019

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: -12.887849
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.501255726255475, total energy = -12.88784943141897

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: -12.887849
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.501255724579096, total energy = -12.887849431419005

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: -12.887849
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.501255714189025, total energy = -12.887849431419033

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: -12.887849
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.5012556977570046, total energy = -12.88784943141907

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: -12.887849
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5012557256734, total energy = -12.887849431419008

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: -12.887849
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5012557744979826, total energy = -12.887849431418942

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: -12.887849
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.5012556980364025, total energy = -12.887849431419065

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: -12.887849
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.5012556806323083, total energy = -12.887849431419014

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: -12.887849
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5012557031703166, total energy = -12.887849431419006

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: -12.887849
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.501255724579089, total energy = -12.887849431418987

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: -12.887849
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.501255697757003, total energy = -12.887849431419069

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: -12.887849
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.501255714800209, total energy = -12.887849431419035

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: -12.887849
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.501255733240395, total energy = -12.887849431419015

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: -12.887849
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.501255716418377, total energy = -12.887849431419015

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: -12.887849
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5012557248817693, total energy = -12.88784943141899

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: -12.887849
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5012556921690674, total energy = -12.887849431419065

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: -12.887849
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5012557171285152, total energy = -12.887849431419019

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: -12.887849
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5012556821107848, total energy = -12.88784943141899

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: -12.887849
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5012556912261, total energy = -12.88784943141903

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: -12.887849
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.501255694666172, total energy = -12.88784943141904

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: -12.887849
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.5012557558715303, total energy = -12.887849431419

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: -12.887849
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5012557252775878, total energy = -12.887849431419045

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: -12.887849
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5012557052774396, total energy = -12.887849431419083

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: -12.887849
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.5012556958565133, total energy = -12.887849431419017

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: -12.887849
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5012557055801077, total energy = -12.887849431419028

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: -12.887849
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5012557209469333, total energy = -12.88784943141905

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: -12.887849
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.501255714072613, total energy = -12.887849431418994

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: -12.887849
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5012556843459635, total energy = -12.887849431419012

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: -12.887849
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.501255684345948, total energy = -12.887849431419003

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: -12.887849
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.5012557577807364, total energy = -12.88784943141896

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: -12.887849
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.5012557422160118, total energy = -12.887849431419017

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: -12.887849
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.501255739480257, total energy = -12.887849431419028

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: -12.887849
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.501255713682626, total energy = -12.887849431419035

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: -12.887849
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.5012557373265603, total energy = -12.88784943141896

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: -12.887849
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.501255702885092, total energy = -12.887849431419019

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: -12.887849
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.5012556858651767, total energy = -12.887849431419063

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: -12.887849
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.501255714800209, total energy = -12.887849431419033

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: -12.887849
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.5012557715177586, total energy = -12.887849431418923

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: -12.887849
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.501255688955994, total energy = -12.887849431419031

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: -12.887849
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.5012556971982036, total energy = -12.887849431418985

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: -12.887849
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.501255719455361, total energy = -12.88784943141902

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: -12.887849
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.5012557171285152, total energy = -12.88784943141901

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: -12.887849
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.501255692169074, total energy = -12.887849431419069

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: -12.887849
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 3.5012557048816095, total energy = -12.88784943141904

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: -12.887849
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.5012557744979764, total energy = -12.887849431418942

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 12.828900007456566 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 12.828900007456566 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 12.828900007456566 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 12.828900007456566 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 12.828900007456566 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1125000000000078 Angstroms and c = -1.816704892564203 Angstroms; the model cutoff was estimated to be 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 12.828900007456566 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 = [3.5012557] Angstroms and c = 4.574021289875706 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.887849
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 3.5012324445441587, c = 5.717602766757961, total energy = -12.887849453620454

Attempting to perform relaxation using initial lattice constant guess of a = [3.5012557] Angstroms and c = 4.859897620492937 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.887849
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 3.5012324323952857, c = 5.7176026988424296, total energy = -12.887849453620511

Attempting to perform relaxation using initial lattice constant guess of a = [3.5012557] Angstroms and c = 5.1457739511101686 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.887849
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 3.501232440085361, c = 5.717602697301596, total energy = -12.887849453620492

Attempting to perform relaxation using initial lattice constant guess of a = [3.5012557] Angstroms and c = 5.4316502817274 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.887849
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 3.501232446629513, c = 5.717602658303745, total energy = -12.887849453620497

Attempting to perform relaxation using initial lattice constant guess of a = [3.5012557] Angstroms and c = 5.717526612344631 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.887849
         Iterations: 65
         Function evaluations: 146
Results for this minimization:
  a = 3.501232504122304, c = 5.7176026169689615, total energy = -12.887849453620426

Attempting to perform relaxation using initial lattice constant guess of a = [3.5012557] Angstroms and c = 6.003402942961863 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.887849
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 3.5012323858860563, c = 5.7176027985244655, total energy = -12.887849453620461

Attempting to perform relaxation using initial lattice constant guess of a = [3.5012557] Angstroms and c = 6.289279273579094 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.887849
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 3.501232429643298, c = 5.71760265920056, total energy = -12.887849453620493

Attempting to perform relaxation using initial lattice constant guess of a = [3.5012557] Angstroms and c = 6.5751556041963255 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.887849
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 3.501232405933596, c = 5.717602743409437, total energy = -12.887849453620456

Attempting to perform relaxation using initial lattice constant guess of a = [3.5012557] Angstroms and c = 6.861031934813557 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.887849
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 3.501232426518179, c = 5.71760259083417, total energy = -12.887849453620536

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

 Final lattice Constants:
   a = 3.501232426518179 Angstroms, c = 5.71760259083417 Angstroms, c/a = 1.633026

 Total energy: -12.887849453620536 eV

 Cohesive energy: -3.221962363405134 eV/atom

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