Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 9.40788999497892 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

==============================================================================
==============================================================================
 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))

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.567580950260166, total energy = -39.45102611416011

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.5675809502601625, total energy = -39.45102611416012

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

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5675809570238926, total energy = -39.451026114160165

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: -39.451026
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.567580950260168, total energy = -39.451026114160136

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: -39.451026
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5675809502601648, total energy = -39.4510261141601

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: -39.451026
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.56758097499842, total energy = -39.45102611416016

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: -39.451026
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5675809595733883, total energy = -39.45102611416007

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: -39.451026
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5675809904932976, total energy = -39.45102611416004

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: -39.451026
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5675809919834154, total energy = -39.451026114160115

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: -39.451026
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.5675809441134336, total energy = -39.45102611415998

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: -39.451026
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5675809502601625, total energy = -39.45102611416011

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: -39.451026
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.567580975405872, total energy = -39.45102611416025

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: -39.451026
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5675809570238926, total energy = -39.451026114160186

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: -39.451026
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.5675809579435738, total energy = -39.45102611416021

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: -39.451026
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5675809502601625, total energy = -39.45102611416011

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: -39.451026
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5675809883046887, total energy = -39.45102611416002

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: -39.451026
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.567580950260161, total energy = -39.45102611416011

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: -39.451026
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5675809575477615, total energy = -39.45102611416007

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: -39.451026
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5675809749984184, total energy = -39.451026114160165

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: -39.451026
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.567580972472205, total energy = -39.45102611416024

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: -39.451026
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5675809567212116, total energy = -39.45102611416013

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: -39.451026
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.567580954730508, total energy = -39.451026114159994

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: -39.451026
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5675809904932976, total energy = -39.45102611416003

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: -39.451026
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.567580978886687, total energy = -39.45102611416017

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: -39.451026
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5675809919834127, total energy = -39.4510261141601

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: -39.451026
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.567580950260164, total energy = -39.451026114160136

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: -39.451026
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.56758094411343, total energy = -39.45102611415999

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: -39.451026
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5675809683743864, total energy = -39.45102611416013

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: -39.451026
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.567580950260158, total energy = -39.45102611416012

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: -39.451026
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.567580945044754, total energy = -39.45102611416002

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: -39.451026
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.567580975405874, total energy = -39.451026114160214

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: -39.451026
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.567580975755115, total energy = -39.451026114160314

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: -39.451026
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5675809383392334, total energy = -39.45102611415995

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: -39.451026
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.56758098200516, total energy = -39.45102611416002

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: -39.451026
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.567580957943572, total energy = -39.45102611416018

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: -39.451026
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5675809707143364, total energy = -39.45102611416008

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: -39.451026
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.567580950260159, total energy = -39.451026114160136

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: -39.451026
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.567580956769234, total energy = -39.45102611416012

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: -39.451026
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.567580968223041, total energy = -39.45102611416011

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: -39.451026
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5675809748936427, total energy = -39.45102611416022

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: -39.451026
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.567580950260154, total energy = -39.451026114160065

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: -39.451026
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.567580973589788, total energy = -39.45102611416017

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: -39.451026
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5675809575477615, total energy = -39.451026114160065

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: -39.451026
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.567580961924976, total energy = -39.4510261141601

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: -39.451026
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5675809748470715, total energy = -39.45102611416022

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: -39.451026
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.567580991979039, total energy = -39.45102611416002

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: -39.451026
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5675809724722014, total energy = -39.451026114160236

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: -39.451026
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.567580957431346, total energy = -39.45102611415995

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: -39.451026
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 2.5675809709820867, total energy = -39.45102611416007

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: -39.451026
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.567580975405865, total energy = -39.45102611416021

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: -39.451026
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.567580954730501, total energy = -39.451026114160015

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: -39.451026
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.567580970810373, total energy = -39.45102611416006

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: -39.451026
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.5675809897948056, total energy = -39.45102611416004

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: -39.451026
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.567580995243048, total energy = -39.451026114160165

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 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 = 7.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7750000000000234 Angstroms and c = -1.2655697004380135 Angstroms; the model cutoff was estimated to be 9.40788999497892 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 = 7.875 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 = 7.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7875000000000156 Angstroms and c = -1.285982114961194 Angstroms; the model cutoff was estimated to be 9.40788999497892 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 = 8.0 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 = 8.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8000000000000078 Angstroms and c = -1.3063945294843744 Angstroms; the model cutoff was estimated to be 9.40788999497892 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 = 8.125 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 = 8.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8125 Angstroms and c = -1.3268069440075547 Angstroms; the model cutoff was estimated to be 9.40788999497892 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 = 8.25 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 = 8.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8249999999999922 Angstroms and c = -1.3472193585307353 Angstroms; the model cutoff was estimated to be 9.40788999497892 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 = 8.375 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 = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 9.40788999497892 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 = 8.5 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 = 8.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8500000000000156 Angstroms and c = -1.3880441875771599 Angstroms; the model cutoff was estimated to be 9.40788999497892 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 = 8.625 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 = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 9.40788999497892 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 = 8.75 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 = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 9.40788999497892 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 = 8.875 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 = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 9.40788999497892 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.0 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 = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 9.40788999497892 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.125 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 = 9.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9125000000000156 Angstroms and c = -1.4901062601931256 Angstroms; the model cutoff was estimated to be 9.40788999497892 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.25 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 = 9.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9250000000000078 Angstroms and c = -1.510518674716306 Angstroms; the model cutoff was estimated to be 9.40788999497892 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.375 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 = 9.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9375 Angstroms and c = -1.5309310892394863 Angstroms; the model cutoff was estimated to be 9.40788999497892 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.5 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 = 9.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9499999999999922 Angstroms and c = -1.5513435037626666 Angstroms; the model cutoff was estimated to be 9.40788999497892 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 = [2.56758098] Angstroms and c = 3.3542737407346017 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.567563887791086, c = 4.192897922771737, total energy = -39.451026182121126

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 3.563915849530514 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.5675639157557915, c = 4.192897878241698, total energy = -39.45102618212109

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 3.7735579583264265 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.5675638858446233, c = 4.192897910711244, total energy = -39.45102618212106

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 3.983200067122339 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.5675638966483056, c = 4.192897911050754, total energy = -39.45102618212111

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 4.192842175918251 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.567563885450858, c = 4.192897900024452, total energy = -39.45102618212109

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 4.402484284714164 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.567563898082258, c = 4.192897903527504, total energy = -39.45102618212104

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 4.612126393510076 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.5675639266044223, c = 4.192897835555935, total energy = -39.451026182121005

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 4.821768502305988 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 82
         Function evaluations: 170
Results for this minimization:
  a = 2.5675638923343773, c = 4.192897965621032, total energy = -39.45102618212107

Attempting to perform relaxation using initial lattice constant guess of a = [2.56758098] Angstroms and c = 5.031410611101901 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -39.451026
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.5675639126732968, c = 4.192897925401748, total energy = -39.451026182121076

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

 Final lattice Constants:
   a = 2.567563887791086 Angstroms, c = 4.192897922771737 Angstroms, c/a = 1.633026

 Total energy: -39.451026182121126 eV

 Cohesive energy: -9.862756545530281 eV/atom

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