Element = Lattice = Model = Element: Tm
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 13.54170000448824 Angstroms
Computed isolated atomic energy of 0.0 eV for species Tm

==============================================================================
==============================================================================
 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 13.54170000448824 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 13.54170000448824 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.25 Angstroms and c = 2.041241452319315 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.6957699144724865, total energy = -17.357692798662224

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: -17.357693
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6957699179649413, total energy = -17.357692798662207

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: -17.357693
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.6957699377089757, total energy = -17.357692798662185

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: -17.357693
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6957699075341224, total energy = -17.357692798662203

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: -17.357693
         Iterations: 39
         Function evaluations: 79
Results for this minimization:
  a = 3.6957699240592774, total energy = -17.357692798662182

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: -17.357693
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6957698702812234, total energy = -17.357692798662086

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: -17.357693
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6957698939368147, total energy = -17.35769279866219

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: -17.357693
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6957698889076713, total energy = -17.357692798662175

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: -17.357693
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6957699149847, total energy = -17.35769279866217

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: -17.357693
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.6957698985934258, total energy = -17.35769279866218

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: -17.357693
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.695769917475992, total energy = -17.35769279866221

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: -17.357693
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.6957699144724794, total energy = -17.357692798662214

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: -17.357693
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.695769921690226, total energy = -17.357692798662235

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: -17.357693
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.6957699179649377, total energy = -17.357692798662207

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: -17.357693
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.6957699221966323, total energy = -17.357692798662235

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: -17.357693
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.695769937708974, total energy = -17.357692798662185

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: -17.357693
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.695769893020043, total energy = -17.357692798662153

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: -17.357693
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.695769907534123, total energy = -17.35769279866221

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: -17.357693
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.695769937540172, total energy = -17.35769279866225

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: -17.357693
         Iterations: 32
         Function evaluations: 65
Results for this minimization:
  a = 3.695769924321212, total energy = -17.35769279866215

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: -17.357693
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.6957698954327487, total energy = -17.357692798662146

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: -17.357693
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.695769879221915, total energy = -17.3576927986621

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: -17.357693
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.6957699098624293, total energy = -17.357692798662146

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: -17.357693
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.695769893936812, total energy = -17.35769279866217

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: -17.357693
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.6957699287013384, total energy = -17.357692798662214

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: -17.357693
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.6957698889076696, total energy = -17.357692798662182

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: -17.357693
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.695769919099984, total energy = -17.35769279866223

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: -17.357693
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.6957699149847043, total energy = -17.35769279866216

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: -17.357693
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.6957699408492743, total energy = -17.357692798662256

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: -17.357693
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6957698985934258, total energy = -17.357692798662153

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: -17.357693
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.6957699209306134, total energy = -17.35769279866217

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: -17.357693
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.695769917475989, total energy = -17.35769279866221

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: -17.357693
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.695769907222712, total energy = -17.357692798662164

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: -17.357693
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6957699108868813, total energy = -17.357692798662185

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: -17.357693
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.695769893936813, total energy = -17.357692798662193

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: -17.357693
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6957699216902213, total energy = -17.357692798662256

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: -17.357693
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6957699250429856, total energy = -17.35769279866222

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: -17.357693
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6957699179649306, total energy = -17.357692798662182

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: -17.357693
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.695769890258085, total energy = -17.357692798662193

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: -17.357693
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6957699221966323, total energy = -17.35769279866224

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: -17.357693
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.6957699622143965, total energy = -17.35769279866216

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: -17.357693
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.6957699377089694, total energy = -17.35769279866218

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: -17.357693
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6957699139951674, total energy = -17.357692798662228

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: -17.357693
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.6957698930986203, total energy = -17.35769279866214

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: -17.357693
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6957698979531415, total energy = -17.357692798662182

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: -17.357693
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.6957699186168593, total energy = -17.3576927986622

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: -17.357693
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.695769924827614, total energy = -17.35769279866215

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: -17.357693
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.695769930956879, total energy = -17.357692798662193

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: -17.357693
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.695769920572635, total energy = -17.35769279866216

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: -17.357693
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.695769924321212, total energy = -17.357692798662168

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: -17.357693
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.695769902801844, total energy = -17.35769279866217

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: -17.357693
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6957698985002816, total energy = -17.357692798662157

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: -17.357693
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.6957699052523747, total energy = -17.357692798662203

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: -17.357693
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.695769917592402, total energy = -17.35769279866221

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: -17.357693
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.695769937708974, total energy = -17.357692798662182

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: -17.357693
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.695769909862433, total energy = -17.357692798662157

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: -17.357693
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6957699431106326, total energy = -17.357692798662143

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: -17.357693
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.695769893936805, total energy = -17.35769279866217

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: -17.357693
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.6957699109298083, total energy = -17.357692798662203

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: -17.357693
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.69576992875227, total energy = -17.357692798662214

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: -17.357693
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.6957699263352017, total energy = -17.35769279866218

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: -17.357693
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.695769888907659, total energy = -17.357692798662164

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: -17.357693
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.695769934402771, total energy = -17.357692798662193

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: -17.357693
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6957699190999804, total energy = -17.357692798662224

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: -17.357693
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.6957699320919346, total energy = -17.357692798662182

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: -17.357693
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.695769914984708, total energy = -17.357692798662168

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: -17.357693
         Iterations: 44
         Function evaluations: 92
Results for this minimization:
  a = 3.6957699061487674, total energy = -17.357692798662207

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: -17.357693
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.6957699432328712, total energy = -17.357692798662185

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: -17.357693
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.695769904319599, total energy = -17.357692798662224

Attempting to perform relaxation using initial lattice constant guess of a = 10.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.6957698985934258, total energy = -17.35769279866215

Attempting to perform relaxation using initial lattice constant guess of a = 10.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.6957699018996255, total energy = -17.357692798662193

Attempting to perform relaxation using initial lattice constant guess of a = 10.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.6957699129357797, total energy = -17.357692798662185

Attempting to perform relaxation using initial lattice constant guess of a = 10.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.695769894868126, total energy = -17.35769279866215

Attempting to perform relaxation using initial lattice constant guess of a = 10.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 41
         Function evaluations: 84
Results for this minimization:
  a = 3.6957699174759853, total energy = -17.357692798662196

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

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.695769893936813, total energy = -17.357692798662196

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

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.6957699636637744, total energy = -17.35769279866212

Attempting to perform relaxation using initial lattice constant guess of a = 10.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.6957699428574275, total energy = -17.357692798662164

Attempting to perform relaxation using initial lattice constant guess of a = 11.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.695769912935784, total energy = -17.35769279866219

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 13.54170000448824 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 13.54170000448824 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 13.54170000448824 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 13.54170000448824 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 13.54170000448824 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 13.54170000448824 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 13.54170000448824 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 13.54170000448824 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 13.54170000448824 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 = 12.25 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 = 12.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2250000000000156 Angstroms and c = -2.000416623272954 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 12.375 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 = 12.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2375000000000256 Angstroms and c = -2.0208290377961635 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 12.5 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 = 12.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.25 Angstroms and c = -2.041241452319315 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 12.625 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 = 12.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2625000000000313 Angstroms and c = -2.0616538668425592 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 12.75 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 = 12.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2750000000000057 Angstroms and c = -2.0820662813657105 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 12.875 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 = 12.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2875000000000156 Angstroms and c = -2.10247869588892 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 13.0 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 = 13.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3000000000000256 Angstroms and c = -2.1228911104121293 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 13.125 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 = 13.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3125 Angstroms and c = -2.143303524935281 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 13.25 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 = 13.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3250000000000313 Angstroms and c = -2.163715939458525 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 13.375 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 = 13.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3375000000000057 Angstroms and c = -2.1841283539816763 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 13.5 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 = 13.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3500000000000156 Angstroms and c = -2.2045407685048857 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = 13.625 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 = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 13.54170000448824 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 = [3.69576994] Angstroms and c = 4.828133632958235 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 3.6957453422934186, c = 6.035247211171662, total energy = -17.357692828563707

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 5.1298919850181255 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 83
         Function evaluations: 170
Results for this minimization:
  a = 3.695745327747735, c = 6.03524728220094, total energy = -17.35769282856367

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 5.431650337078016 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 3.6957453272319443, c = 6.035247265377089, total energy = -17.357692828563682

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 5.733408689137906 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.6957453788489962, c = 6.035247312212203, total energy = -17.357692828563692

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 6.035167041197796 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 3.695745336429658, c = 6.035247238518252, total energy = -17.35769282856369

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 6.336925393257686 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 3.6957453289387687, c = 6.035247272296237, total energy = -17.35769282856372

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 6.638683745317576 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 3.6957453365868425, c = 6.0352472347963655, total energy = -17.357692828563724

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 6.940442097377466 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 3.695745360582082, c = 6.035247162440689, total energy = -17.35769282856366

Attempting to perform relaxation using initial lattice constant guess of a = [3.69576994] Angstroms and c = 7.242200449437356 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.357693
         Iterations: 78
         Function evaluations: 157
Results for this minimization:
  a = 3.6957453397278144, c = 6.03524724772751, total energy = -17.357692828563675

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

 Final lattice Constants:
   a = 3.6957453365868425 Angstroms, c = 6.0352472347963655 Angstroms, c/a = 1.633026

 Total energy: -17.357692828563724 eV

 Cohesive energy: -4.339423207140931 eV/atom

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