Element = Lattice = Model = Element: Cf
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 11.973699996471405 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cf

==============================================================================
==============================================================================
 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 11.973699996471405 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 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.2678343281149864, total energy = -20.68610929465458

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: -20.686109
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.26783430650831, total energy = -20.68610929465457

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: -20.686109
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2678342700703107, total energy = -20.686109294654564

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: -20.686109
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2678343027830143, total energy = -20.686109294654578

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: -20.686109
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.267834295332432, total energy = -20.686109294654596

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: -20.686109
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.2678342876024544, total energy = -20.68610929465455

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: -20.686109
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.267834295332435, total energy = -20.6861092946546

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: -20.686109
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.267834301292897, total energy = -20.68610929465457

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: -20.686109
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.267834269581363, total energy = -20.686109294654532

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: -20.686109
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.267834279313682, total energy = -20.686109294654575

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: -20.686109
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.2678343281149864, total energy = -20.686109294654592

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: -20.686109
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.2678343370556844, total energy = -20.686109294654475

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: -20.686109
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.2678343065083038, total energy = -20.686109294654624

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: -20.686109
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.267834296595538, total energy = -20.686109294654557

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: -20.686109
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.2678342698607596, total energy = -20.68610929465453

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: -20.686109
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.267834287835285, total energy = -20.686109294654624

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: -20.686109
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.2678343027830126, total energy = -20.686109294654564

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: -20.686109
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.267834336741362, total energy = -20.686109294654532

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: -20.686109
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.267834295332432, total energy = -20.68610929465458

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: -20.686109
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.2678342958912245, total energy = -20.68610929465461

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: -20.686109
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.267834290221799, total energy = -20.68610929465464

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: -20.686109
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.267834328114984, total energy = -20.686109294654578

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: -20.686109
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2678342938423155, total energy = -20.686109294654585

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: -20.686109
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.2678343026025694, total energy = -20.686109294654617

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: -20.686109
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.2678343012928943, total energy = -20.68610929465456

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: -20.686109
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.2678342764265835, total energy = -20.68610929465456

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: -20.686109
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.267834270210002, total energy = -20.686109294654564

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: -20.686109
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.267834286588184, total energy = -20.686109294654585

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: -20.686109
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.2678342793136848, total energy = -20.686109294654575

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: -20.686109
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2678342888597376, total energy = -20.68610929465459

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: -20.686109
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2678343281149864, total energy = -20.686109294654575

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: -20.686109
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.267834306295841, total energy = -20.686109294654546

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: -20.686109
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.2678343370556817, total energy = -20.68610929465447

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: -20.686109
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.2678342850878845, total energy = -20.686109294654607

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: -20.686109
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.2678343065082993, total energy = -20.686109294654603

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: -20.686109
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.26783428734052, total energy = -20.686109294654603

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: -20.686109
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.2678342948551253, total energy = -20.686109294654546

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: -20.686109
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.2678342927276374, total energy = -20.6861092946546

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: -20.686109
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.267834270209999, total energy = -20.686109294654564

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: -20.686109
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.2678343026564076, total energy = -20.68610929465458

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: -20.686109
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.267834287835285, total energy = -20.686109294654617

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: -20.686109
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.267834282293914, total energy = -20.686109294654575

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: -20.686109
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.267834293097252, total energy = -20.68610929465459

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: -20.686109
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2678343164967307, total energy = -20.68610929465456

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: -20.686109
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.267834336427037, total energy = -20.686109294654518

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: -20.686109
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.2678343087172834, total energy = -20.68610929465462

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: -20.686109
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.26783429533243, total energy = -20.68610929465458

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: -20.686109
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2678342616185487, total energy = -20.68610929465451

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: -20.686109
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.2678342958912174, total energy = -20.68610929465463

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: -20.686109
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.2678343076113334, total energy = -20.68610929465456

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: -20.686109
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.267834290221799, total energy = -20.68610929465463

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: -20.686109
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.2678342891391403, total energy = -20.686109294654624

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: -20.686109
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.2678343273931985, total energy = -20.68610929465456

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: -20.686109
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.267834298918015, total energy = -20.6861092946546

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: -20.686109
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.267834295332428, total energy = -20.68610929465457

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: -20.686109
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.267834259197116, total energy = -20.68610929465453

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: -20.686109
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.2678343084611736, total energy = -20.686109294654564

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: -20.686109
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.2678342823637516, total energy = -20.68610929465456

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: -20.686109
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.267834301292887, total energy = -20.686109294654567

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: -20.686109
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.2678342920771635, total energy = -20.68610929465465

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: -20.686109
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.2678343155421317, total energy = -20.68610929465453

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: -20.686109
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.267834299942483, total energy = -20.68610929465457

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: -20.686109
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.2678342702099914, total energy = -20.68610929465457

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: -20.686109
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.267834316246436, total energy = -20.686109294654546

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: -20.686109
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.267834285188286, total energy = -20.68610929465451

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: -20.686109
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.2678342889994383, total energy = -20.686109294654557

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: -20.686109
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.2678342793136883, total energy = -20.686109294654578

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: -20.686109
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.2678343114064634, total energy = -20.68610929465464

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: -20.686109
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.2678342890867405, total energy = -20.686109294654575

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9875000000000078 Angstroms and c = -1.6125807473322717 Angstroms; the model cutoff was estimated to be 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 11.973699996471405 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1125000000000078 Angstroms and c = -1.816704892564203 Angstroms; the model cutoff was estimated to be 11.973699996471405 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 11.973699996471405 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 11.973699996471405 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 11.973699996471405 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 11.973699996471405 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 11.973699996471405 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 11.973699996471405 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 11.973699996471405 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 = [3.26783429] Angstroms and c = 4.269080842431008 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 3.2678125345272635, c = 5.336422003095692, total energy = -20.686109330289856

Attempting to perform relaxation using initial lattice constant guess of a = [3.26783429] Angstroms and c = 4.535898395082946 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 76
         Function evaluations: 164
Results for this minimization:
  a = 3.2678125751260643, c = 5.336422032687263, total energy = -20.686109330289813

Attempting to perform relaxation using initial lattice constant guess of a = [3.26783429] Angstroms and c = 4.802715947734884 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 3.2678125618417186, c = 5.336421979326295, total energy = -20.686109330289824

Attempting to perform relaxation using initial lattice constant guess of a = [3.26783429] Angstroms and c = 5.0695335003868225 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 71
         Function evaluations: 158
Results for this minimization:
  a = 3.267812548726752, c = 5.336422014282071, total energy = -20.686109330289874

Attempting to perform relaxation using initial lattice constant guess of a = [3.26783429] Angstroms and c = 5.336351053038761 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.2678125688491, c = 5.336421959508167, total energy = -20.68610933028981

Attempting to perform relaxation using initial lattice constant guess of a = [3.26783429] Angstroms and c = 5.603168605690699 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 3.2678125658989203, c = 5.33642202513192, total energy = -20.686109330289874

Attempting to perform relaxation using initial lattice constant guess of a = [3.26783429] Angstroms and c = 5.869986158342637 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 3.2678125683429133, c = 5.336422092133711, total energy = -20.686109330289888

Attempting to perform relaxation using initial lattice constant guess of a = [3.26783429] Angstroms and c = 6.136803710994575 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 3.267812559153785, c = 5.336422051979728, total energy = -20.686109330289877

Attempting to perform relaxation using initial lattice constant guess of a = [3.26783429] Angstroms and c = 6.403621263646513 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.686109
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 3.2678125847539006, c = 5.336421996970758, total energy = -20.686109330289835

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

 Final lattice Constants:
   a = 3.2678125683429133 Angstroms, c = 5.336422092133711 Angstroms, c/a = 1.633026

 Total energy: -20.686109330289888 eV

 Cohesive energy: -5.171527332572472 eV/atom

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