Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 12.116199993528467 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ta

==============================================================================
==============================================================================
 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 12.116199993528467 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.125 Angstroms and c = 1.8371173070873836 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.3067415207624435, total energy = -133.347419578143

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: -133.347420
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.3067414722114417, total energy = -133.34741957814197

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: -133.347420
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.306741516664628, total energy = -133.3474195781425

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: -133.347420
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.3067415196448593, total energy = -133.3474195781427

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: -133.347420
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.3067415166646237, total energy = -133.3474195781424

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: -133.347420
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.306741510517895, total energy = -133.347419578143

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: -133.347420
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.306741520762447, total energy = -133.34741957814268

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: -133.347420
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.3067414791323264, total energy = -133.3474195781423

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: -133.347420
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.3067414782475675, total energy = -133.34741957814197

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: -133.347420
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.306741505069655, total energy = -133.34741957814273

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: -133.347420
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.3067415207624435, total energy = -133.34741957814276

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: -133.347420
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.306741571426392, total energy = -133.34741957814128

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: -133.347420
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.306741470610725, total energy = -133.3474195781421

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: -133.347420
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.306741465814412, total energy = -133.34741957814205

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: -133.347420
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.3067415175028145, total energy = -133.34741957814248

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: -133.347420
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.306741500564385, total energy = -133.3474195781426

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: -133.347420
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.3067415196448566, total energy = -133.34741957814265

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: -133.347420
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.3067414805525903, total energy = -133.34741957814228

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: -133.347420
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.3067415166646237, total energy = -133.34741957814245

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: -133.347420
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.3067415120545762, total energy = -133.34741957814242

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: -133.347420
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.306741510517895, total energy = -133.347419578143

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: -133.347420
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.306741533812599, total energy = -133.3474195781419

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: -133.347420
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.3067415203899144, total energy = -133.34741957814276

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: -133.347420
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.306741506274557, total energy = -133.3474195781432

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: -133.347420
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.3067414783406988, total energy = -133.34741957814236

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: -133.347420
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.3067414935212582, total energy = -133.34741957814236

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: -133.347420
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.3067414779856286, total energy = -133.3474195781422

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: -133.347420
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.3067414950579397, total energy = -133.34741957814234

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: -133.347420
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.3067415050696587, total energy = -133.3474195781426

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: -133.347420
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.306741499970664, total energy = -133.3474195781423

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: -133.347420
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.3067415207624435, total energy = -133.34741957814276

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: -133.347420
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.306741512220465, total energy = -133.3474195781427

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: -133.347420
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 3.3067415714263895, total energy = -133.34741957814134

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: -133.347420
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 3.3067415580153474, total energy = -133.34741957814202

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: -133.347420
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.3067414706107208, total energy = -133.347419578142

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: -133.347420
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.3067414980760077, total energy = -133.34741957814308

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: -133.347420
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.3067415050405504, total energy = -133.3474195781427

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: -133.347420
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.3067415335506647, total energy = -133.34741957814276

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: -133.347420
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.3067414862103695, total energy = -133.34741957814225

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: -133.347420
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.306741516664621, total energy = -133.34741957814234

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: -133.347420
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.306741500564385, total energy = -133.34741957814262

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: -133.347420
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.306741494173182, total energy = -133.34741957814282

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: -133.347420
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.306741519644852, total energy = -133.34741957814288

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: -133.347420
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.3067414976685465, total energy = -133.34741957814256

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: -133.347420
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.306741494539888, total energy = -133.34741957814234

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: -133.347420
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.3067415020486806, total energy = -133.3474195781427

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: -133.347420
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.3067415465717183, total energy = -133.347419578142

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: -133.347420
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.306741504903761, total energy = -133.34741957814273

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: -133.347420
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.3067415118857664, total energy = -133.3474195781426

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: -133.347420
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.3067415011930237, total energy = -133.34741957814256

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: -133.347420
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.306741510517895, total energy = -133.34741957814293

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: -133.347420
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.3067415184050373, total energy = -133.34741957814236

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: -133.347420
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.306741516309544, total energy = -133.34741957814225

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: -133.347420
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.306741532310835, total energy = -133.3474195781423

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: -133.347420
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.306741520389911, total energy = -133.347419578143

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: -133.347420
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.3067415006516967, total energy = -133.34741957814347

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: -133.347420
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.3067414991674053, total energy = -133.34741957814225

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: -133.347420
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.30674150669946, total energy = -133.34741957814234

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: -133.347420
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.3067414783406917, total energy = -133.3474195781426

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: -133.347420
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.3067414948323814, total energy = -133.3474195781427

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

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.3067414935212582, total energy = -133.34741957814234

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

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.3067415216937706, total energy = -133.34741957814228

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

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.306741484324433, total energy = -133.34741957814214

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

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.306741467118254, total energy = -133.34741957814248

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

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 3.3067414933349895, total energy = -133.34741957814248

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

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.3067415396362776, total energy = -133.3474195781425

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

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.3067415050696622, total energy = -133.34741957814256

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

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.306741508515537, total energy = -133.34741957814276

Attempting to perform relaxation using initial lattice constant guess of a = 9.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 43
         Function evaluations: 89
Results for this minimization:
  a = 3.306741501786736, total energy = -133.34741957814222

Attempting to perform relaxation using initial lattice constant guess of a = 9.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.3067414857330686, total energy = -133.34741957814245

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 12.116199993528467 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 12.116199993528467 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 12.116199993528467 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 12.116199993528467 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 12.116199993528467 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 12.116199993528467 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 12.116199993528467 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 = 10.875 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 = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 11.0 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 = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 11.125 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 = 11.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1125000000000078 Angstroms and c = -1.816704892564203 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 11.25 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 = 11.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.125 Angstroms and c = -1.8371173070873836 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 11.375 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 = 11.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1374999999999922 Angstroms and c = -1.857529721610564 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 11.5 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 = 11.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1500000000000234 Angstroms and c = -1.8779421361338082 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 11.625 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 = 11.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1625000000000156 Angstroms and c = -1.8983545506569885 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 11.75 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 = 11.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1750000000000078 Angstroms and c = -1.9187669651801689 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 11.875 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 = 11.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1875 Angstroms and c = -1.9391793797033494 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 12.0 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 = 12.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2000000000000313 Angstroms and c = -1.9595917942265935 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = 12.125 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 = 12.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2125000000000057 Angstroms and c = -1.980004208749745 Angstroms; the model cutoff was estimated to be 12.116199993528467 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 = [3.3067415] Angstroms and c = 4.319909006870286 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 3.306719542100062, c = 5.399957990602713, total energy = -133.3474198078556

Attempting to perform relaxation using initial lattice constant guess of a = [3.3067415] Angstroms and c = 4.589903319799679 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 3.3067195119462456, c = 5.399958150662674, total energy = -133.3474198078558

Attempting to perform relaxation using initial lattice constant guess of a = [3.3067415] Angstroms and c = 4.859897632729072 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 78
         Function evaluations: 163
Results for this minimization:
  a = 3.306719513145816, c = 5.399958085112798, total energy = -133.34741980785572

Attempting to perform relaxation using initial lattice constant guess of a = [3.3067415] Angstroms and c = 5.129891945658465 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 3.306719524721053, c = 5.39995807785756, total energy = -133.34741980785563

Attempting to perform relaxation using initial lattice constant guess of a = [3.3067415] Angstroms and c = 5.399886258587858 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 63
         Function evaluations: 141
Results for this minimization:
  a = 3.306719531751403, c = 5.399958139157355, total energy = -133.3474198078558

Attempting to perform relaxation using initial lattice constant guess of a = [3.3067415] Angstroms and c = 5.669880571517251 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 78
         Function evaluations: 159
Results for this minimization:
  a = 3.306719536223282, c = 5.39995795813455, total energy = -133.3474198078552

Attempting to perform relaxation using initial lattice constant guess of a = [3.3067415] Angstroms and c = 5.9398748844466445 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.3067195199005406, c = 5.399958057932622, total energy = -133.3474198078555

Attempting to perform relaxation using initial lattice constant guess of a = [3.3067415] Angstroms and c = 6.209869197376038 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 3.30671954215787, c = 5.399958064711633, total energy = -133.34741980785583

Attempting to perform relaxation using initial lattice constant guess of a = [3.3067415] Angstroms and c = 6.479863510305431 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -133.347420
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 3.306719517452418, c = 5.399958042702299, total energy = -133.34741980785597

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

 Final lattice Constants:
   a = 3.306719517452418 Angstroms, c = 5.399958042702299 Angstroms, c/a = 1.633026

 Total energy: -133.34741980785597 eV

 Cohesive energy: -33.33685495196399 eV/atom

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