Element = Lattice = Model = Element: W
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959HighCutoff_W__MO_646516726498_002
Computed model cutoff of 10.04779999598865 Angstroms
Computed isolated atomic energy of 0.0 eV for species W

==============================================================================
==============================================================================
 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 10.04779999598865 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: -35.663756
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.806771019264124, total energy = -35.66375608614113

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: -35.663756
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8067709910683334, total energy = -35.663756086141

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: -35.663756
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8067709902301483, total energy = -35.663756086141

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: -35.663756
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.8067710129078516, total energy = -35.66375608614094

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: -35.663756
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8067709869530537, total energy = -35.66375608614101

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: -35.663756
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.806771016120911, total energy = -35.66375608614092

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: -35.663756
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.806771019473672, total energy = -35.663756086140964

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: -35.663756
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.806771016493442, total energy = -35.663756086140914

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: -35.663756
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8067710127681513, total energy = -35.66375608614095

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: -35.663756
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8067710192641244, total energy = -35.66375608614111

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: -35.663756
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.806771019473671, total energy = -35.663756086140964

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: -35.663756
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.806770986877382, total energy = -35.66375608614098

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: -35.663756
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8067709848284723, total energy = -35.663756086140936

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: -35.663756
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8067709902301434, total energy = -35.66375608614098

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: -35.663756
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.806770978122949, total energy = -35.6637560861409

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: -35.663756
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.806771011790262, total energy = -35.66375608614101

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: -35.663756
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8067709878087044, total energy = -35.66375608614098

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: -35.663756
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.806770986877382, total energy = -35.66375608614098

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: -35.663756
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8067710161209094, total energy = -35.663756086140914

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: -35.663756
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8067710151430205, total energy = -35.66375608614093

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: -35.663756
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.806770963827147, total energy = -35.66375608614086

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: -35.663756
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.806771019473672, total energy = -35.663756086141

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: -35.663756
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8067709992988936, total energy = -35.66375608614089

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: -35.663756
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8067709922790516, total energy = -35.66375608614095

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: -35.663756
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8067710112314677, total energy = -35.66375608614098

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: -35.663756
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8067710127681478, total energy = -35.66375608614095

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: -35.663756
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.806770991999656, total energy = -35.66375608614088

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: -35.663756
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8067710192641204, total energy = -35.663756086141085

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: -35.663756
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.806770990137009, total energy = -35.663756086140964

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: -35.663756
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8067710194736737, total energy = -35.66375608614097

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: -35.663756
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8067709970171535, total energy = -35.663756086141

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: -35.663756
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8067709878087044, total energy = -35.66375608614098

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: -35.663756
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8067710137227495, total energy = -35.66375608614099

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: -35.663756
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8067709848284705, total energy = -35.66375608614096

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: -35.663756
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8067710163537427, total energy = -35.663756086141

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: -35.663756
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8067709922790494, total energy = -35.66375608614103

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: -35.663756
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.806771018425934, total energy = -35.66375608614097

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: -35.663756
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.806770995259279, total energy = -35.66375608614093

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: -35.663756
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8067710105096895, total energy = -35.66375608614098

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: -35.663756
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.806771016120904, total energy = -35.663756086140985

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: -35.663756
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.806771011557426, total energy = -35.663756086141085

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: -35.663756
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8067709878087044, total energy = -35.66375608614101

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: -35.663756
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.8067710139555833, total energy = -35.66375608614095

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: -35.663756
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8067709989845695, total energy = -35.66375608614096

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: -35.663756
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8067709833383483, total energy = -35.66375608614099

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: -35.663756
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.806771011563246, total energy = -35.663756086141035

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: -35.663756
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8067710186587647, total energy = -35.66375608614094

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: -35.663756
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8067710153060013, total energy = -35.66375608614092

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: -35.663756
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8067709823138935, total energy = -35.66375608614114

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: -35.663756
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8067709736176685, total energy = -35.663756086140886

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: -35.663756
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8067710093295264, total energy = -35.6637560861409

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: -35.663756
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.806771019473672, total energy = -35.66375608614097

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: -35.663756
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.806770994514231, total energy = -35.66375608614093

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: -35.663756
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8067709888331454, total energy = -35.66375608614089

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: -35.663756
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8067710161209014, total energy = -35.663756086140985

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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 10.04779999598865 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 = [2.80677098] Angstroms and c = 3.6667502568103187 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.663757
         Iterations: 77
         Function evaluations: 157
Results for this minimization:
  a = 2.8068941616396375, c = 4.583035962596463, total energy = -35.663757397620294

Attempting to perform relaxation using initial lattice constant guess of a = [2.80677098] Angstroms and c = 3.8959221478609636 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.663757
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.8068941402143284, c = 4.583036012832068, total energy = -35.66375739762027

Attempting to perform relaxation using initial lattice constant guess of a = [2.80677098] Angstroms and c = 4.125094038911609 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.663757
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.8068941935611345, c = 4.583036016809752, total energy = -35.66375739762034

Attempting to perform relaxation using initial lattice constant guess of a = [2.80677098] Angstroms and c = 4.354265929962253 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.663757
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.8068941578366493, c = 4.583035953811184, total energy = -35.66375739762028

Attempting to perform relaxation using initial lattice constant guess of a = [2.80677098] Angstroms and c = 4.5834378210128985 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.663757
         Iterations: 60
         Function evaluations: 134
Results for this minimization:
  a = 2.8068941712526296, c = 4.583036053901172, total energy = -35.663757397620444

Attempting to perform relaxation using initial lattice constant guess of a = [2.80677098] Angstroms and c = 4.8126097120635425 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.663757
         Iterations: 62
         Function evaluations: 138
Results for this minimization:
  a = 2.8068941458810506, c = 4.583036018988512, total energy = -35.66375739762033

Attempting to perform relaxation using initial lattice constant guess of a = [2.80677098] Angstroms and c = 5.041781603114188 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.663757
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.806894190825433, c = 4.583036008431158, total energy = -35.66375739762031

Attempting to perform relaxation using initial lattice constant guess of a = [2.80677098] Angstroms and c = 5.270953494164832 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.663757
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.806894148290591, c = 4.583035998325067, total energy = -35.66375739762035

Attempting to perform relaxation using initial lattice constant guess of a = [2.80677098] Angstroms and c = 5.500125385215478 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -35.663757
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.806894184440399, c = 4.583035918166496, total energy = -35.6637573976204

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

 Final lattice Constants:
   a = 2.8068941712526296 Angstroms, c = 4.583036053901172 Angstroms, c/a = 1.632778

 Total energy: -35.663757397620444 eV

 Cohesive energy: -8.915939349405111 eV/atom

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