Element = Lattice = Model = Element: Rn
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.690800001472264 Angstroms
Computed isolated atomic energy of 0.0 eV for species Rn

==============================================================================
==============================================================================
 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 10.690800001472264 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: -0.716102
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.917713081836699, total energy = -0.7161018963374941

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: -0.716102
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9177130946191028, total energy = -0.7161018963374914

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: -0.716102
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.917713125096641, total energy = -0.7161018963374894

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: -0.716102
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9177130807191167, total energy = -0.716101896337495

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: -0.716102
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.917713072523477, total energy = -0.7161018963374924

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: -0.716102
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.917713091894985, total energy = -0.7161018963374914

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: -0.716102
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9177130687749013, total energy = -0.7161018963374902

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: -0.716102
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9177130818367027, total energy = -0.7161018963374939

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: -0.716102
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.917713089659812, total energy = -0.7161018963374925

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: -0.716102
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9177130818367, total energy = -0.7161018963374947

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: -0.716102
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9177130933850988, total energy = -0.7161018963374932

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: -0.716102
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9177130815805867, total energy = -0.7161018963374985

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: -0.716102
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9177130684256563, total energy = -0.7161018963374901

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: -0.716102
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.9177130976924674, total energy = -0.7161018963374916

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: -0.716102
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9177130700496487, total energy = -0.7161018963374911

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: -0.716102
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.917713080719113, total energy = -0.7161018963374942

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: -0.716102
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9177130937750917, total energy = -0.7161018963374952

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: -0.716102
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9177130725234743, total energy = -0.7161018963374917

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: -0.716102
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.9177130818366996, total energy = -0.7161018963374938

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: -0.716102
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9177130945026866, total energy = -0.7161018963374925

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: -0.716102
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9177130945026857, total energy = -0.7161018963374924

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: -0.716102
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9177130684256554, total energy = -0.7161018963374899

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: -0.716102
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.917713097669181, total energy = -0.716101896337493

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: -0.716102
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.917713081836699, total energy = -0.7161018963374942

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: -0.716102
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.917713081557305, total energy = -0.7161018963374925

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: -0.716102
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.917713090451432, total energy = -0.7161018963374923

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: -0.716102
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9177130945026875, total energy = -0.716101896337492

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: -0.716102
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9177130818366965, total energy = -0.7161018963374935

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: -0.716102
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9177131123666173, total energy = -0.7161018963374928

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: -0.716102
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9177130933851014, total energy = -0.7161018963374931

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: -0.716102
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9177131136879293, total energy = -0.7161018963374937

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: -0.716102
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9177130945026875, total energy = -0.7161018963374923

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: -0.716102
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9177130807191087, total energy = -0.7161018963374938

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: -0.716102
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9177130684256536, total energy = -0.7161018963374899

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: -0.716102
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.917713110568004, total energy = -0.7161018963374913

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: -0.716102
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9177130979485777, total energy = -0.7161018963374917

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: -0.716102
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9177130684256554, total energy = -0.7161018963374903

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: -0.716102
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9177130699157656, total energy = -0.7161018963374909

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: -0.716102
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9177130807773186, total energy = -0.7161018963374925

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: -0.716102
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.917713081836693, total energy = -0.7161018963374933

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: -0.716102
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.917713085528518, total energy = -0.7161018963374937

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: -0.716102
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9177130937750917, total energy = -0.7161018963374955

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: -0.716102
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9177130993077274, total energy = -0.7161018963374932

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: -0.716102
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.9177130918949787, total energy = -0.7161018963374911

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: -0.716102
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.9177130989264612, total energy = -0.7161018963374928

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: -0.716102
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.917713081836696, total energy = -0.7161018963374935

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: -0.716102
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9177130946191028, total energy = -0.7161018963374921

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: -0.716102
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.917713107541201, total energy = -0.7161018963374906

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: -0.716102
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9177131022326597, total energy = -0.7161018963374948

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: -0.716102
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9177130945026786, total energy = -0.7161018963374933

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: -0.716102
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.917713085934515, total energy = -0.7161018963374952

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: -0.716102
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9177130684256554, total energy = -0.7161018963374899

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: -0.716102
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9177131002768917, total energy = -0.7161018963374943

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: -0.716102
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.917713089007871, total energy = -0.7161018963374952

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: -0.716102
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9177130933618085, total energy = -0.7161018963374948

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: -0.716102
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9177130818366956, total energy = -0.7161018963374932

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: -0.716102
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.917713090457255, total energy = -0.7161018963374922

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: -0.716102
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 2.917713081749394, total energy = -0.716101896337492

Attempting to perform relaxation using initial lattice constant guess of a = 8.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.9177130890078704, total energy = -0.716101896337495

Attempting to perform relaxation using initial lattice constant guess of a = 8.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.917713090451425, total energy = -0.716101896337493

Attempting to perform relaxation using initial lattice constant guess of a = 8.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 2.917713079287201, total energy = -0.716101896337493

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 10.690800001472264 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 10.690800001472264 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 10.690800001472264 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 10.690800001472264 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 10.690800001472264 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 10.690800001472264 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 10.690800001472264 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 10.690800001472264 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 10.690800001472264 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 10.690800001472264 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 10.690800001472264 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 10.690800001472264 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 = 10.25 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 = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 10.690800001472264 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 = 10.375 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 = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 10.690800001472264 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 = 10.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 10.690800001472264 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 10.690800001472264 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 10.690800001472264 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 = [2.91771308] Angstroms and c = 3.8116844083818378 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.917693691287301, c = 4.764668848676873, total energy = -0.7161018975710985

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771308] Angstroms and c = 4.049914683905703 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 2.9176936850660704, c = 4.764668898158847, total energy = -0.7161018975710974

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771308] Angstroms and c = 4.288144959429568 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.917693681789711, c = 4.764668949323791, total energy = -0.7161018975710981

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771308] Angstroms and c = 4.526375234953433 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.917693678542412, c = 4.764668937899621, total energy = -0.7161018975710972

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771308] Angstroms and c = 4.764605510477299 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.9176936507695337, c = 4.764668922214008, total energy = -0.7161018975710963

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771308] Angstroms and c = 5.002835786001164 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 76
         Function evaluations: 153
Results for this minimization:
  a = 2.917693694813692, c = 4.764668875351111, total energy = -0.7161018975710968

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771308] Angstroms and c = 5.241066061525029 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 2.917693676804033, c = 4.764668862096943, total energy = -0.7161018975710961

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771308] Angstroms and c = 5.479296337048894 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 78
         Function evaluations: 161
Results for this minimization:
  a = 2.9176936850184356, c = 4.764668937164179, total energy = -0.7161018975710965

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771308] Angstroms and c = 5.71752661257276 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.716102
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.917693697198935, c = 4.764668940548093, total energy = -0.7161018975710987

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

 Final lattice Constants:
   a = 2.917693697198935 Angstroms, c = 4.764668940548093 Angstroms, c/a = 1.633026

 Total energy: -0.7161018975710987 eV

 Cohesive energy: -0.17902547439277466 eV/atom

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