Element = Lattice = Model = Element: Mo
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Mo__MO_666830945336_003
Computed model cutoff of 9.543719995170843 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mo

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


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

Optimization terminated successfully.
         Current function value: -27.375142
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.79448474645615, total energy = -27.37514231860616

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: -27.375142
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.7944847553968426, total energy = -27.375142318606155

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: -27.375142
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.794484736281447, total energy = -27.37514231860611

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: -27.375142
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.7944847710430682, total energy = -27.375142318606247

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: -27.375142
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.794484746456149, total energy = -27.375142318606198

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: -27.375142
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7944847914273865, total energy = -27.375142318606127

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: -27.375142
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.7944847650825984, total energy = -27.375142318606223

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: -27.375142
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.794484781450592, total energy = -27.37514231860623

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: -27.375142
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.794484746456148, total energy = -27.375142318606205

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: -27.375142
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.794484771043064, total energy = -27.375142318606237

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: -27.375142
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.794484768912662, total energy = -27.37514231860623

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: -27.375142
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7944847464561446, total energy = -27.375142318606244

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: -27.375142
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.794484736281447, total energy = -27.375142318606077

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: -27.375142
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.7944847618229685, total energy = -27.375142318606255

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: -27.375142
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7944847464561464, total energy = -27.375142318606226

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: -27.375142
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.794484765990636, total energy = -27.375142318606237

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: -27.375142
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7944847464561455, total energy = -27.375142318606233

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: -27.375142
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7944847650360316, total energy = -27.3751423186061

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: -27.375142
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7944847802282284, total energy = -27.37514231860629

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: -27.375142
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.794484774046577, total energy = -27.37514231860631

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: -27.375142
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.7944847650825966, total energy = -27.375142318606215

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: -27.375142
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.794484768761321, total energy = -27.375142318606123

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: -27.375142
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.794484781450592, total energy = -27.375142318606226

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: -27.375142
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.794484781846401, total energy = -27.375142318606233

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: -27.375142
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7944847464561446, total energy = -27.37514231860624

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: -27.375142
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7944847710430634, total energy = -27.375142318606223

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: -27.375142
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7944847710430603, total energy = -27.375142318606212

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: -27.375142
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7944847830513027, total energy = -27.375142318606155

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: -27.375142
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7944847572827674, total energy = -27.37514231860625

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: -27.375142
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7944847498089063, total energy = -27.375142318606137

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: -27.375142
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7944847466773366, total energy = -27.375142318606215

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: -27.375142
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7944847575272407, total energy = -27.375142318606194

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: -27.375142
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.794484795536846, total energy = -27.375142318606148

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: -27.375142
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.794484770199047, total energy = -27.37514231860624

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: -27.375142
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.7944847618229662, total energy = -27.375142318606212

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: -27.375142
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.794484784593807, total energy = -27.37514231860625

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: -27.375142
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.794484746456143, total energy = -27.37514231860623

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: -27.375142
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.794484780228231, total energy = -27.375142318606258

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: -27.375142
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7944847659906307, total energy = -27.375142318606212

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: -27.375142
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7944847788196046, total energy = -27.37514231860616

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: -27.375142
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7944847464561384, total energy = -27.37514231860622

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: -27.375142
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7944847412873015, total energy = -27.375142318606215

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: -27.375142
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7944847650360316, total energy = -27.375142318606116

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: -27.375142
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7944847757928044, total energy = -27.37514231860625

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: -27.375142
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7944847910490287, total energy = -27.375142318606166

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: -27.375142
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.794484821270445, total energy = -27.37514231860607

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: -27.375142
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7944847740465732, total energy = -27.375142318606287

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: -27.375142
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.7944847494654823, total energy = -27.37514231860621

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: -27.375142
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.7944847650825957, total energy = -27.375142318606198

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: -27.375142
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.7944847464561393, total energy = -27.375142318606226

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: -27.375142
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.7944847572827625, total energy = -27.375142318606272

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: -27.375142
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.794484766937963, total energy = -27.375142318606223

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: -27.375142
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.794484781450592, total energy = -27.3751423186062

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: -27.375142
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.794484796692273, total energy = -27.37514231860619

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: -27.375142
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.7944847818463905, total energy = -27.375142318606184

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: -27.375142
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7944847630453205, total energy = -27.37514231860616

Attempting to perform relaxation using initial lattice constant guess of a = 8.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8000000000000078 Angstroms and c = -1.3063945294843744 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8125 Angstroms and c = -1.3268069440075547 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8249999999999922 Angstroms and c = -1.3472193585307353 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8500000000000156 Angstroms and c = -1.3880441875771599 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9125000000000156 Angstroms and c = -1.4901062601931256 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9250000000000078 Angstroms and c = -1.510518674716306 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9375 Angstroms and c = -1.5309310892394863 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9499999999999922 Angstroms and c = -1.5513435037626666 Angstroms; the model cutoff was estimated to be 9.543719995170843 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 9.543719995170843 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 = [2.79448477] Angstroms and c = 3.650699621541791 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.375143
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.7945511958719003, c = 4.56315795109972, total energy = -27.37514264613951

Attempting to perform relaxation using initial lattice constant guess of a = [2.79448477] Angstroms and c = 3.8788683478881527 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.375143
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.7945511344374587, c = 4.563158016860166, total energy = -27.375142646139555

Attempting to perform relaxation using initial lattice constant guess of a = [2.79448477] Angstroms and c = 4.107037074234515 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.375143
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.7945511303720623, c = 4.563157986456908, total energy = -27.37514264613958

Attempting to perform relaxation using initial lattice constant guess of a = [2.79448477] Angstroms and c = 4.3352058005808765 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.375143
         Iterations: 62
         Function evaluations: 139
Results for this minimization:
  a = 2.7945511154593614, c = 4.563157998150723, total energy = -27.375142646139544

Attempting to perform relaxation using initial lattice constant guess of a = [2.79448477] Angstroms and c = 4.563374526927238 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.375143
         Iterations: 72
         Function evaluations: 147
Results for this minimization:
  a = 2.7945511644642833, c = 4.563158051093943, total energy = -27.375142646139608

Attempting to perform relaxation using initial lattice constant guess of a = [2.79448477] Angstroms and c = 4.7915432532736 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.375143
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.7945511728806873, c = 4.563158058484936, total energy = -27.37514264613959

Attempting to perform relaxation using initial lattice constant guess of a = [2.79448477] Angstroms and c = 5.019711979619962 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.375143
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.794551157004695, c = 4.563157950580171, total energy = -27.37514264613958

Attempting to perform relaxation using initial lattice constant guess of a = [2.79448477] Angstroms and c = 5.247880705966324 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.375143
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 2.794551172114347, c = 4.563158071857025, total energy = -27.37514264613959

Attempting to perform relaxation using initial lattice constant guess of a = [2.79448477] Angstroms and c = 5.476049432312686 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.375143
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 2.7945511580105906, c = 4.563158057694592, total energy = -27.375142646139626

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

 Final lattice Constants:
   a = 2.7945511580105906 Angstroms, c = 4.563158057694592 Angstroms, c/a = 1.632877

 Total energy: -27.375142646139626 eV

 Cohesive energy: -6.843785661534906 eV/atom

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