Element = Lattice = Model = Element: Au
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 9.692979995310314 Angstroms
Computed isolated atomic energy of 0.0 eV for species Au

==============================================================================
==============================================================================
 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: -76.802304
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.645384466648105, total energy = -76.80230438400166

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: -76.802304
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.6453844696516167, total energy = -76.80230438400153

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: -76.802304
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.6453844682546332, total energy = -76.80230438400145

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: -76.802304
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.6453844796866224, total energy = -76.80230438400163

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: -76.802304
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.6453844665084056, total energy = -76.80230438400174

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: -76.802304
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.645384482434021, total energy = -76.80230438400147

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: -76.802304
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.6453844916075475, total energy = -76.80230438400146

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: -76.802304
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.645384482573718, total energy = -76.8023043840015

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: -76.802304
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.6453844666481032, total energy = -76.80230438400156

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: -76.802304
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.64538448303938, total energy = -76.80230438400152

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: -76.802304
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.645384470489807, total energy = -76.80230438400157

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: -76.802304
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.645384478056803, total energy = -76.80230438400159

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: -76.802304
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.645384468138218, total energy = -76.80230438400143

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: -76.802304
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.645384483132511, total energy = -76.80230438400146

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: -76.802304
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.6453844424220723, total energy = -76.8023043840011

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: -76.802304
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.645384457753971, total energy = -76.80230438400163

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: -76.802304
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.645384466508402, total energy = -76.80230438400172

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: -76.802304
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.645384472270962, total energy = -76.80230438400173

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: -76.802304
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.6453844824340194, total energy = -76.80230438400149

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: -76.802304
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.6453844870440655, total energy = -76.80230438400145

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: -76.802304
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.6453844916075457, total energy = -76.80230438400142

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: -76.802304
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6453844675794222, total energy = -76.8023043840017

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: -76.802304
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.645384478732012, total energy = -76.80230438400143

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: -76.802304
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.6453844756004354, total energy = -76.80230438400137

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: -76.802304
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.6453844666480997, total energy = -76.80230438400156

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: -76.802304
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.6453844876901726, total energy = -76.8023043840014

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: -76.802304
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.6453844830393765, total energy = -76.80230438400147

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: -76.802304
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.6453844665084034, total energy = -76.8023043840017

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: -76.802304
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.6453844704898026, total energy = -76.80230438400152

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: -76.802304
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.645384468761038, total energy = -76.8023043840014

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: -76.802304
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.645384478941561, total energy = -76.80230438400157

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: -76.802304
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.6453844588249886, total energy = -76.8023043840015

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: -76.802304
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.645384468138218, total energy = -76.80230438400147

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: -76.802304
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.6453844593837808, total energy = -76.80230438400154

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: -76.802304
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.645384483132509, total energy = -76.80230438400147

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: -76.802304
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.645384466135876, total energy = -76.8023043840017

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: -76.802304
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.6453844428062396, total energy = -76.80230438400118

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: -76.802304
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.645384481176734, total energy = -76.80230438400142

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: -76.802304
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.645384457753966, total energy = -76.80230438400173

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: -76.802304
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.645384483132509, total energy = -76.80230438400146

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: -76.802304
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.645384466508395, total energy = -76.80230438400162

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: -76.802304
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.6453844961710233, total energy = -76.8023043840014

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: -76.802304
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.645384472270962, total energy = -76.80230438400173

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: -76.802304
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.64538448115927, total energy = -76.80230438400146

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: -76.802304
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.645384483115043, total energy = -76.80230438400159

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: -76.802304
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.645384495332828, total energy = -76.80230438400149

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: -76.802304
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.645384487044062, total energy = -76.80230438400139

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: -76.802304
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.645384460221976, total energy = -76.80230438400142

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: -76.802304
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.645384491607545, total energy = -76.80230438400136

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: -76.802304
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.6453844786097696, total energy = -76.8023043840017

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: -76.802304
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.6453844675794156, total energy = -76.80230438400164

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: -76.802304
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.6453844691626687, total energy = -76.80230438400159

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: -76.802304
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.645384458475746, total energy = -76.80230438400166

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: -76.802304
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.645384447416295, total energy = -76.80230438400126

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: -76.802304
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.645384478577747, total energy = -76.80230438400137

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: -76.802304
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.6453844754010687, total energy = -76.80230438400142

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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 9.692979995310314 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 = [2.64538447] Angstroms and c = 3.4559157954294877 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -76.802305
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.6453668875130596, c = 4.31995220184653, total energy = -76.80230451630624

Attempting to perform relaxation using initial lattice constant guess of a = [2.64538447] Angstroms and c = 3.671910532643831 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -76.802305
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.6453668837460915, c = 4.319952214537176, total energy = -76.80230451630624

Attempting to perform relaxation using initial lattice constant guess of a = [2.64538447] Angstroms and c = 3.887905269858174 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -76.802305
         Iterations: 74
         Function evaluations: 149
Results for this minimization:
  a = 2.6453668821164578, c = 4.319952201065688, total energy = -76.8023045163062

Attempting to perform relaxation using initial lattice constant guess of a = [2.64538447] Angstroms and c = 4.103900007072517 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -76.802305
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.6453668741225638, c = 4.319952231503009, total energy = -76.80230451630617

Attempting to perform relaxation using initial lattice constant guess of a = [2.64538447] Angstroms and c = 4.31989474428686 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -76.802305
         Iterations: 64
         Function evaluations: 137
Results for this minimization:
  a = 2.6453668818185685, c = 4.319952220152878, total energy = -76.80230451630624

Attempting to perform relaxation using initial lattice constant guess of a = [2.64538447] Angstroms and c = 4.535889481501203 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -76.802305
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.6453668887331756, c = 4.319952158411023, total energy = -76.80230451630622

Attempting to perform relaxation using initial lattice constant guess of a = [2.64538447] Angstroms and c = 4.751884218715547 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -76.802305
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.64536686961889, c = 4.319952197184289, total energy = -76.80230451630624

Attempting to perform relaxation using initial lattice constant guess of a = [2.64538447] Angstroms and c = 4.96787895592989 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -76.802305
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.645366873015487, c = 4.3199521596114785, total energy = -76.80230451630632

Attempting to perform relaxation using initial lattice constant guess of a = [2.64538447] Angstroms and c = 5.183873693144233 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -76.802305
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.6453668772482146, c = 4.31995222079744, total energy = -76.80230451630622

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

 Final lattice Constants:
   a = 2.645366873015487 Angstroms, c = 4.3199521596114785 Angstroms, c/a = 1.633026

 Total energy: -76.80230451630632 eV

 Cohesive energy: -19.20057612907658 eV/atom

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