Element = Lattice = Model = Element: Rh
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.120599999837617 Angstroms
Computed isolated atomic energy of 0.0 eV for species Rh

==============================================================================
==============================================================================
 Starting optimization to find optimum lattice constant 'a' with c/a fixed to
 sqrt(8/3)
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = 1.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.0 Angstroms and c = 1.632993161855452 Angstroms; the model cutoff was estimated to be 10.120599999837617 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7620951704680907, total energy = -80.13378471043902

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: -80.133785
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.762095184996724, total energy = -80.13378471043882

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: -80.133785
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.762095155287541, total energy = -80.13378471043866

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: -80.133785
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7620951693505074, total energy = -80.13378471043906

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: -80.133785
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.762095154216515, total energy = -80.13378471043868

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: -80.133785
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7620951566379515, total energy = -80.13378471043873

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: -80.133785
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7620951584540308, total energy = -80.13378471043882

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: -80.133785
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.76209518313408, total energy = -80.13378471043859

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: -80.133785
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.762095169525129, total energy = -80.1337847104386

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: -80.133785
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.7620951721444724, total energy = -80.13378471043897

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: -80.133785
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7620951645483713, total energy = -80.13378471043876

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: -80.133785
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.762095175217837, total energy = -80.13378471043877

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: -80.133785
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.7620951849967237, total energy = -80.13378471043887

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: -80.133785
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.762095155287534, total energy = -80.1337847104388

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: -80.133785
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.762095180898904, total energy = -80.13378471043883

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: -80.133785
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.762095169350504, total energy = -80.13378471043906

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: -80.133785
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7620951901189983, total energy = -80.13378471043866

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: -80.133785
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7620951542165124, total energy = -80.1337847104386

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: -80.133785
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7620951928896824, total energy = -80.1337847104387

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: -80.133785
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.7620951566379497, total energy = -80.13378471043868

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: -80.133785
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7620951655320805, total energy = -80.13378471043879

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: -80.133785
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7620951584540308, total energy = -80.13378471043876

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: -80.133785
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7620951693505025, total energy = -80.13378471043899

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: -80.133785
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7620951833203415, total energy = -80.1337847104386

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: -80.133785
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7620951850927677, total energy = -80.13378471043896

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: -80.133785
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.76209515626542, total energy = -80.1337847104386

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: -80.133785
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.762095184996724, total energy = -80.13378471043886

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: -80.133785
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.762095170468087, total energy = -80.13378471043913

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: -80.133785
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.762095176987348, total energy = -80.13378471043872

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: -80.133785
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.762095200159821, total energy = -80.13378471043872

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: -80.133785
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.762095169350502, total energy = -80.133784710439

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: -80.133785
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.76209519430995, total energy = -80.13378471043876

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: -80.133785
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.7620951757999084, total energy = -80.13378471043885

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: -80.133785
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.762095184996722, total energy = -80.1337847104388

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: -80.133785
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.762095177793527, total energy = -80.13378471043868

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: -80.133785
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7620951552875304, total energy = -80.13378471043879

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: -80.133785
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7620951576463995, total energy = -80.13378471043865

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: -80.133785
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7620951808988985, total energy = -80.13378471043883

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: -80.133785
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.762095172144471, total energy = -80.13378471043896

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: -80.133785
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.7620951832504868, total energy = -80.1337847104386

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: -80.133785
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7620951891934924, total energy = -80.1337847104387

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: -80.133785
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7620951901189983, total energy = -80.13378471043869

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: -80.133785
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.762095157057045, total energy = -80.13378471043858

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: -80.133785
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.762095154216507, total energy = -80.13378471043865

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: -80.133785
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7620951995253478, total energy = -80.13378471043856

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: -80.133785
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.7620951931254196, total energy = -80.13378471043883

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: -80.133785
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.762095184996724, total energy = -80.13378471043882

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: -80.133785
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7620951566379497, total energy = -80.13378471043869

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: -80.133785
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.76209516488015, total energy = -80.1337847104387

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: -80.133785
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.7620952006429342, total energy = -80.13378471043877

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: -80.133785
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.762095172429685, total energy = -80.13378471043859

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: -80.133785
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.762095167534426, total energy = -80.13378471043866

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: -80.133785
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.7620951973833185, total energy = -80.13378471043855

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: -80.133785
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.762095169350492, total energy = -80.1337847104388

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: -80.133785
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.762095187441436, total energy = -80.13378471043887

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: -80.133785
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 2.7620951808989, total energy = -80.13378471043887

Attempting to perform relaxation using initial lattice constant guess of a = 8.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.7620951834251173, total energy = -80.13378471043866

Attempting to perform relaxation using initial lattice constant guess of a = 8.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.7620951849967286, total energy = -80.13378471043889

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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 10.120599999837617 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 = 10.125 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 = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 10.120599999837617 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 = [2.76209517] Angstroms and c = 3.6083860206146845 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.762076804191718, c = 4.510542520119147, total energy = -80.13378484848276

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209517] Angstroms and c = 3.8339101469031025 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.7620767995808233, c = 4.510542558155633, total energy = -80.13378484848252

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209517] Angstroms and c = 4.0594342731915205 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 72
         Function evaluations: 148
Results for this minimization:
  a = 2.7620768389681727, c = 4.510542466894985, total energy = -80.1337848484825

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209517] Angstroms and c = 4.2849583994799385 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.7620768243831035, c = 4.5105425240441, total energy = -80.13378484848262

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209517] Angstroms and c = 4.5104825257683565 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.7620768136305633, c = 4.510542544454735, total energy = -80.13378484848259

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209517] Angstroms and c = 4.7360066520567745 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.7620768037122962, c = 4.510542543598344, total energy = -80.13378484848238

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209517] Angstroms and c = 4.9615307783451925 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.7620767887274567, c = 4.510542600983332, total energy = -80.13378484848243

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209517] Angstroms and c = 5.1870549046336105 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.7620767900081526, c = 4.510542478811401, total energy = -80.13378484848275

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209517] Angstroms and c = 5.4125790309220285 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 2.762076829160496, c = 4.510542523958804, total energy = -80.13378484848259

Attempting to perform relaxation using initial lattice constant guess of a = [2.76209517] Angstroms and c = 5.6381031572104465 = ([2.04124145] * a) Angstroms

Optimization terminated successfully.
         Current function value: -80.133785
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 2.762076788702993, c = 4.510542534507379, total energy = -80.13378484848256

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

 Final lattice Constants:
   a = 2.762076804191718 Angstroms, c = 4.510542520119147 Angstroms, c/a = 1.633026

 Total energy: -80.13378484848276 eV

 Cohesive energy: -20.03344621212069 eV/atom

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