Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 9.906790000200273 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pd

==============================================================================
==============================================================================
 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: -45.664681
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037452994845848, total energy = -45.6646812469011

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: -45.664681
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.703745307587085, total energy = -45.6646812469012

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: -45.664681
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7037452897056937, total energy = -45.66468124690123

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: -45.664681
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.703745308052755, total energy = -45.664681246901075

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: -45.664681
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452841177623, total energy = -45.6646812469012

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: -45.664681
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452841177596, total energy = -45.664681246901246

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: -45.664681
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.7037452897056955, total energy = -45.66468124690128

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: -45.664681
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7037452841177583, total energy = -45.66468124690127

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: -45.664681
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.703745299484583, total energy = -45.66468124690107

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: -45.664681
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.703745285421611, total energy = -45.66468124690132

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: -45.664681
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452956428747, total energy = -45.66468124690111

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: -45.664681
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.703745314921252, total energy = -45.66468124690099

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: -45.664681
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.7037452897056937, total energy = -45.664681246901246

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: -45.664681
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.7037453249096877, total energy = -45.664681246900884

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: -45.664681
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7037452701479197, total energy = -45.66468124690107

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: -45.664681
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.703745308308862, total energy = -45.66468124690105

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: -45.664681
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7037452841177583, total energy = -45.66468124690125

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: -45.664681
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7037452792865224, total energy = -45.6646812469011

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: -45.664681
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.703745284117758, total energy = -45.66468124690126

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: -45.664681
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7037452648393803, total energy = -45.66468124690107

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: -45.664681
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.703745304048061, total energy = -45.66468124690118

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: -45.664681
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.703745303303001, total energy = -45.66468124690114

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: -45.664681
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7037452841177583, total energy = -45.66468124690127

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: -45.664681
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7037453002063514, total energy = -45.66468124690119

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: -45.664681
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7037452995777125, total energy = -45.66468124690101

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: -45.664681
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.703745268611239, total energy = -45.664681246901225

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: -45.664681
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7037452854216073, total energy = -45.66468124690126

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: -45.664681
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452717268025, total energy = -45.66468124690133

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: -45.664681
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.7037452964810607, total energy = -45.66468124690117

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: -45.664681
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.703745276108383, total energy = -45.66468124690115

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: -45.664681
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7037453023134743, total energy = -45.664681246901

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: -45.664681
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452842312595, total energy = -45.66468124690125

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: -45.664681
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7037452897056937, total energy = -45.664681246901196

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: -45.664681
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.703745250729839, total energy = -45.66468124690096

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: -45.664681
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.703745324909686, total energy = -45.66468124690095

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: -45.664681
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452854216117, total energy = -45.66468124690132

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: -45.664681
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.703745270147916, total energy = -45.66468124690107

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: -45.664681
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7037453177108546, total energy = -45.66468124690087

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: -45.664681
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7037453077733464, total energy = -45.664681246901004

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: -45.664681
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.7037452638673094, total energy = -45.664681246901246

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: -45.664681
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.70374528684187, total energy = -45.66468124690122

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: -45.664681
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452662363615, total energy = -45.66468124690108

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: -45.664681
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7037453011143953, total energy = -45.664681246901026

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: -45.664681
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452832446407, total energy = -45.66468124690118

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: -45.664681
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452907767077, total energy = -45.66468124690115

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: -45.664681
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.703745289379723, total energy = -45.66468124690126

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: -45.664681
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.7037452648393767, total energy = -45.66468124690106

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: -45.664681
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.703745280392468, total energy = -45.66468124690111

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: -45.664681
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452805787323, total energy = -45.664681246901225

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: -45.664681
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.703745289705687, total energy = -45.66468124690117

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: -45.664681
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.703745303302994, total energy = -45.66468124690113

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: -45.664681
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7037452958524186, total energy = -45.664681246901

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: -45.664681
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7037452841177583, total energy = -45.664681246901246

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: -45.664681
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.703745269833604, total energy = -45.66468124690108

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: -45.664681
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7037453002063407, total energy = -45.66468124690116

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: -45.664681
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.703745273692756, total energy = -45.664681246901

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: -45.664681
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.703745299577709, total energy = -45.664681246901004

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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 9.906790000200273 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 = 9.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9750000000000156 Angstroms and c = -1.5921683328090912 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9875000000000078 Angstroms and c = -1.6125807473322717 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 9.906790000200273 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 = [2.70374527] Angstroms and c = 3.532158032103104 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -45.664681
         Iterations: 68
         Function evaluations: 152
Results for this minimization:
  a = 2.7037273194711426, c = 4.415256253999214, total energy = -45.6646813255662

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374527] Angstroms and c = 3.752917909109548 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -45.664681
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.7037273073837937, c = 4.4152562725631865, total energy = -45.66468132556612

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374527] Angstroms and c = 3.973677786115992 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -45.664681
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.703727312397822, c = 4.415256272812867, total energy = -45.66468132556616

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374527] Angstroms and c = 4.194437663122436 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -45.664681
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.7037273247636224, c = 4.415256263435673, total energy = -45.66468132556615

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374527] Angstroms and c = 4.41519754012888 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -45.664681
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.703727303278665, c = 4.415256261630126, total energy = -45.66468132556628

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374527] Angstroms and c = 4.635957417135325 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -45.664681
         Iterations: 74
         Function evaluations: 152
Results for this minimization:
  a = 2.7037272977381193, c = 4.415256252181986, total energy = -45.66468132556612

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374527] Angstroms and c = 4.8567172941417684 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -45.664681
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.7037272821457803, c = 4.415256351244461, total energy = -45.66468132556619

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374527] Angstroms and c = 5.077477171148212 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -45.664681
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.7037273209779538, c = 4.4152562535334665, total energy = -45.66468132556609

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374527] Angstroms and c = 5.298237048154657 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -45.664681
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.7037273157136306, c = 4.415256260521971, total energy = -45.6646813255662

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

 Final lattice Constants:
   a = 2.703727303278665 Angstroms, c = 4.415256261630126 Angstroms, c/a = 1.633026

 Total energy: -45.66468132556628 eV

 Cohesive energy: -11.41617033139157 eV/atom

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