Element = Lattice = Model = Element: Nd
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 14.325699999034441 Angstroms
Computed isolated atomic energy of 0.0 eV for species Nd

==============================================================================
==============================================================================
 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.375 Angstroms and c = 2.2453655975512468 Angstroms; the model cutoff was estimated to be 14.325699999034441 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 = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.9097267996519856, total energy = -27.29966450656606

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: -27.299665
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.909726788173433, total energy = -27.29966450656624

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: -27.299665
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.909726811153815, total energy = -27.29966450656611

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: -27.299665
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.9097268090117723, total energy = -27.29966450656621

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: -27.299665
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.9097267955541657, total energy = -27.299664506566128

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: -27.299665
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.9097268402576475, total energy = -27.299664506566057

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: -27.299665
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.909726798691553, total energy = -27.299664506566284

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: -27.299665
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.9097267972305385, total energy = -27.299664506566117

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: -27.299665
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.909726783633232, total energy = -27.29966450656608

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: -27.299665
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.9097267951816344, total energy = -27.299664506566067

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: -27.299665
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.9097267816308925, total energy = -27.299664506566124

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: -27.299665
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.909726810827852, total energy = -27.299664506566096

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: -27.299665
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.9097267985343946, total energy = -27.299664506566057

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: -27.299665
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.9097267988836393, total energy = -27.299664506566096

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: -27.299665
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.9097267836332334, total energy = -27.29966450656609

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: -27.299665
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.909726791907452, total energy = -27.2996645065661

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: -27.299665
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.909726811153815, total energy = -27.29966450656611

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: -27.299665
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.909726871550084, total energy = -27.299664506565957

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: -27.299665
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.9097268090117723, total energy = -27.299664506566202

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: -27.299665
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.90972677776299, total energy = -27.299664506566078

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: -27.299665
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.9097267955541604, total energy = -27.299664506566113

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: -27.299665
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.909726800071075, total energy = -27.299664506566216

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: -27.299665
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.909726840257645, total energy = -27.299664506566053

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: -27.299665
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.9097267547622323, total energy = -27.29966450656602

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: -27.299665
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.909726798691552, total energy = -27.299664506566256

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: -27.299665
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.9097267870791255, total energy = -27.29966450656621

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: -27.299665
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.909726797230542, total energy = -27.299664506566096

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: -27.299665
         Iterations: 37
         Function evaluations: 83
Results for this minimization:
  a = 3.9097268610057645, total energy = -27.299664506566145

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: -27.299665
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.909726783633232, total energy = -27.299664506566092

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: -27.299665
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.9097267902572614, total energy = -27.29966450656613

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: -27.299665
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.909726795181631, total energy = -27.29966450656605

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: -27.299665
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.9097268089593866, total energy = -27.29966450656619

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: -27.299665
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.9097267985343906, total energy = -27.29966450656615

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: -27.299665
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.909726802725345, total energy = -27.299664506566135

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: -27.299665
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.9097268108278476, total energy = -27.2996645065661

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: -27.299665
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.909726781267089, total energy = -27.299664506566177

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: -27.299665
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.9097267985343875, total energy = -27.29966450656615

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: -27.299665
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.909726805042008, total energy = -27.29966450656611

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: -27.299665
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.9097268047044054, total energy = -27.299664506566142

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: -27.299665
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.9097268176468774, total energy = -27.299664506566206

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: -27.299665
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.909726783633228, total energy = -27.299664506566103

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: -27.299665
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.9097268340876266, total energy = -27.299664506566153

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: -27.299665
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.9097267919074468, total energy = -27.299664506566085

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: -27.299665
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.9097267985343933, total energy = -27.299664506566092

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: -27.299665
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.9097268227254958, total energy = -27.299664506566188

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: -27.299665
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.9097268326207937, total energy = -27.299664506566128

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: -27.299665
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.909726871550077, total energy = -27.299664506565936

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: -27.299665
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.909726835752368, total energy = -27.2996645065661

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: -27.299665
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.9097268090117723, total energy = -27.29966450656621

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: -27.299665
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.909726826926639, total energy = -27.29966450656609

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: -27.299665
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.9097267776727573, total energy = -27.29966450656605

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: -27.299665
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.909726793898146, total energy = -27.29966450656608

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: -27.299665
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.9097267985343898, total energy = -27.299664506566113

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: -27.299665
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.909726783633232, total energy = -27.29966450656608

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: -27.299665
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.9097268108278547, total energy = -27.299664506566142

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: -27.299665
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.909726807707909, total energy = -27.299664506566167

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: -27.299665
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.9097268402576377, total energy = -27.299664506566035

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: -27.299665
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.909726810426214, total energy = -27.29966450656612

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: -27.299665
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.9097267547622323, total energy = -27.299664506566018

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: -27.299665
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.9097268228884827, total energy = -27.29966450656614

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: -27.299665
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.9097267986915414, total energy = -27.299664506566263

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: -27.299665
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.9097268317462213, total energy = -27.299664506566028

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: -27.299665
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.909726787079122, total energy = -27.29966450656621

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: -27.299665
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.9097268041223288, total energy = -27.299664506566064

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: -27.299665
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.9097267963457893, total energy = -27.2996645065661

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: -27.299665
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.9097268144134314, total energy = -27.29966450656618

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: -27.299665
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.9097268619137964, total energy = -27.299664506566028

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: -27.299665
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.9097268277895605, total energy = -27.299664506566145

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: -27.299665
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.909726805984974, total energy = -27.299664506566124

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: -27.299665
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.909726809430873, total energy = -27.2996645065662

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: -27.299665
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 3.909726789779948, total energy = -27.299664506566113

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: -27.299665
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.909726802166542, total energy = -27.29966450656608

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: -27.299665
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.9097267927369055, total energy = -27.299664506566057

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: -27.299665
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.909726806341496, total energy = -27.29966450656614

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: -27.299665
         Iterations: 42
         Function evaluations: 92
Results for this minimization:
  a = 3.90972680895939, total energy = -27.29966450656619

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: -27.299665
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.909726809430855, total energy = -27.299664506566174

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: -27.299665
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.9097267985343835, total energy = -27.29966450656614

Attempting to perform relaxation using initial lattice constant guess of a = 11.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.9097268338780804, total energy = -27.29966450656629

Attempting to perform relaxation using initial lattice constant guess of a = 11.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.909726802725345, total energy = -27.299664506566135

Attempting to perform relaxation using initial lattice constant guess of a = 11.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.9097268400830263, total energy = -27.29966450656608

Attempting to perform relaxation using initial lattice constant guess of a = 11.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.9097268102923266, total energy = -27.299664506566128

Attempting to perform relaxation using initial lattice constant guess of a = 11.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.9097268091601918, total energy = -27.299664506566202

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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 14.325699999034441 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 = 13.75 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 = 13.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.375 Angstroms and c = -2.2453655975512468 Angstroms; the model cutoff was estimated to be 14.325699999034441 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 = 13.875 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 = 13.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3875000000000313 Angstroms and c = -2.265778012074491 Angstroms; the model cutoff was estimated to be 14.325699999034441 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 = 14.0 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 = 14.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4000000000000057 Angstroms and c = -2.286190426597642 Angstroms; the model cutoff was estimated to be 14.325699999034441 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 = 14.125 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 = 14.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4125000000000156 Angstroms and c = -2.3066028411208515 Angstroms; the model cutoff was estimated to be 14.325699999034441 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 = 14.25 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 = 14.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4250000000000256 Angstroms and c = -2.327015255644061 Angstroms; the model cutoff was estimated to be 14.325699999034441 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 = 14.375 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 = 14.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4375 Angstroms and c = -2.3474276701672125 Angstroms; the model cutoff was estimated to be 14.325699999034441 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 = [3.90972683] Angstroms and c = 5.107645747556538 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.909700801375281, c = 6.384642157384494, total energy = -27.29966455359432

Attempting to perform relaxation using initial lattice constant guess of a = [3.90972683] Angstroms and c = 5.4268736067788215 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.9097008289869764, c = 6.384642003173093, total energy = -27.299664553594315

Attempting to perform relaxation using initial lattice constant guess of a = [3.90972683] Angstroms and c = 5.746101466001105 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 3.9097008309648773, c = 6.3846420527651535, total energy = -27.299664553594297

Attempting to perform relaxation using initial lattice constant guess of a = [3.90972683] Angstroms and c = 6.065329325223388 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.909700780150046, c = 6.3846420572455305, total energy = -27.299664553594333

Attempting to perform relaxation using initial lattice constant guess of a = [3.90972683] Angstroms and c = 6.384557184445671 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 3.9097008045162767, c = 6.384642129993243, total energy = -27.299664553594315

Attempting to perform relaxation using initial lattice constant guess of a = [3.90972683] Angstroms and c = 6.7037850436679545 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 79
         Function evaluations: 160
Results for this minimization:
  a = 3.9097008352897102, c = 6.384642049138271, total energy = -27.299664553594294

Attempting to perform relaxation using initial lattice constant guess of a = [3.90972683] Angstroms and c = 7.023012902890238 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.9097008142822802, c = 6.384642051064079, total energy = -27.299664553594223

Attempting to perform relaxation using initial lattice constant guess of a = [3.90972683] Angstroms and c = 7.342240762112521 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 3.909700851153399, c = 6.384641980162744, total energy = -27.299664553594283

Attempting to perform relaxation using initial lattice constant guess of a = [3.90972683] Angstroms and c = 7.661468621334804 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -27.299665
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 3.9097008364798658, c = 6.384641958209988, total energy = -27.299664553594305

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

 Final lattice Constants:
   a = 3.909700780150046 Angstroms, c = 6.3846420572455305 Angstroms, c/a = 1.633026

 Total energy: -27.299664553594333 eV

 Cohesive energy: -6.824916138398583 eV/atom

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