Element = Lattice = Model = Element: Mn
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 9.906790000200273 Angstroms
Computed isolated atomic energy of 0.0 eV for species Mn

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


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

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452988326587, total energy = -19.981249993684013

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.703745279088615, total energy = -19.981249993684113

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: -19.981250
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7037452766671777, total energy = -19.9812499936841

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: -19.981250
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.703745284490294, total energy = -19.98124999368411

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: -19.981250
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7037452757358587, total energy = -19.981249993684074

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: -19.981250
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.70374532043934, total energy = -19.98124999368396

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: -19.981250
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.703745267621709, total energy = -19.98124999368396

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: -19.981250
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.703745275735855, total energy = -19.981249993684052

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: -19.981250
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.703745302557947, total energy = -19.98124999368398

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: -19.981250
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7037452790886176, total energy = -19.981249993684095

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: -19.981250
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.703745279088616, total energy = -19.981249993684102

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: -19.981250
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7037452793098047, total energy = -19.981249993684113

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: -19.981250
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7037452766671777, total energy = -19.981249993684088

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: -19.981250
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.7037453092634687, total energy = -19.981249993684035

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: -19.981250
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.703745284490287, total energy = -19.98124999368408

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: -19.981250
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7037452911725266, total energy = -19.981249993684024

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: -19.981250
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.703745275735855, total energy = -19.981249993684056

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: -19.981250
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.703745309263468, total energy = -19.981249993684028

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: -19.981250
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.703745272010564, total energy = -19.98124999368405

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: -19.981250
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7037452824413775, total energy = -19.98124999368406

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: -19.981250
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7037452988326547, total energy = -19.981249993684006

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: -19.981250
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7037452870979886, total energy = -19.98124999368405

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: -19.981250
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.703745275735855, total energy = -19.98124999368405

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: -19.981250
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7037452514865397, total energy = -19.98124999368393

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: -19.981250
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.703745275735855, total energy = -19.981249993684056

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: -19.981250
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7037452824413792, total energy = -19.98124999368405

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: -19.981250
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.703745279088614, total energy = -19.9812499936841

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: -19.981250
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452766671777, total energy = -19.981249993684067

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: -19.981250
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7037452790886114, total energy = -19.98124999368409

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: -19.981250
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.703745289891957, total energy = -19.981249993684056

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: -19.981250
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452790886176, total energy = -19.9812499936841

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: -19.981250
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.703745320439335, total energy = -19.981249993683956

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: -19.981250
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.703745272010565, total energy = -19.981249993684045

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: -19.981250
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.703745268748021, total energy = -19.981249993683996

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: -19.981250
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.703745309263467, total energy = -19.981249993684024

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: -19.981250
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452896765917, total energy = -19.981249993684045

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: -19.981250
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.703745282441374, total energy = -19.981249993684056

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: -19.981250
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.703745275735855, total energy = -19.981249993684045

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: -19.981250
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.703745290637011, total energy = -19.98124999368401

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: -19.981250
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452800082953, total energy = -19.981249993684045

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: -19.981250
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.7037452755961495, total energy = -19.981249993684052

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: -19.981250
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452844902834, total energy = -19.98124999368406

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: -19.981250
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7037453069351614, total energy = -19.98124999368402

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: -19.981250
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.703745279088614, total energy = -19.981249993684106

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: -19.981250
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.703745270799838, total energy = -19.981249993684038

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: -19.981250
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452727206905, total energy = -19.981249993684038

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: -19.981250
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.703745282441374, total energy = -19.981249993684056

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: -19.981250
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.703745291917585, total energy = -19.98124999368401

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: -19.981250
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.7037452981807286, total energy = -19.98124999368401

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: -19.981250
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7037452790886096, total energy = -19.981249993684084

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: -19.981250
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.7037452870979815, total energy = -19.98124999368404

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: -19.981250
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.7037452876102135, total energy = -19.98124999368399

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: -19.981250
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.703745275735855, total energy = -19.981249993684045

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: -19.981250
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.703745310311211, total energy = -19.981249993684006

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: -19.981250
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.703745257621617, total energy = -19.98124999368398

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: -19.981250
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.7037453092634585, total energy = -19.981249993684006

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: -19.981250
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 2.7037452757358515, total energy = -19.981249993684035

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8125 Angstroms and c = -1.3268069440075547 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8249999999999922 Angstroms and c = -1.3472193585307353 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8500000000000156 Angstroms and c = -1.3880441875771599 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9125000000000156 Angstroms and c = -1.4901062601931256 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9250000000000078 Angstroms and c = -1.510518674716306 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9375 Angstroms and c = -1.5309310892394863 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9499999999999922 Angstroms and c = -1.5513435037626666 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.75 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 = 9.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9750000000000156 Angstroms and c = -1.5921683328090912 Angstroms; the model cutoff was estimated to be 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.875 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 9.906790000200273 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 9.906790000200273 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 3.5321580417205354 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.703727290275479, c = 4.41525626930089, total energy = -19.98125002810508

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 3.752917919328069 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 78
         Function evaluations: 157
Results for this minimization:
  a = 2.7037272944728965, c = 4.415256276170762, total energy = -19.98125002810508

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 3.9736777969356023 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.7037272966934776, c = 4.415256294116503, total energy = -19.98125002810506

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.194437674543136 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.7037273226733602, c = 4.415256303374666, total energy = -19.981250028105016

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.415197552150669 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 62
         Function evaluations: 138
Results for this minimization:
  a = 2.7037273061233464, c = 4.41525625746539, total energy = -19.981250028105134

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.635957429758203 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.7037273107714865, c = 4.415256266840294, total energy = -19.981250028105084

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 4.856717307365736 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.703727316758346, c = 4.415256293879455, total energy = -19.981250028105084

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 5.07747718497327 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.7037272881417227, c = 4.415256350601739, total energy = -19.98125002810502

Attempting to perform relaxation using initial lattice constant guess of a = [2.70374528] Angstroms and c = 5.298237062580803 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.981250
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.703727298755627, c = 4.415256229878609, total energy = -19.981250028105052

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

 Final lattice Constants:
   a = 2.7037273061233464 Angstroms, c = 4.41525625746539 Angstroms, c/a = 1.633026

 Total energy: -19.981250028105134 eV

 Cohesive energy: -4.995312507026283 eV/atom

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