Element = Lattice = Model = Element: Sr
Lattice: hcp
Model: Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Sr__MO_801083489225_004
Computed model cutoff of 12.264900000467932 Angstroms
Computed isolated atomic energy of 0.0 eV for species Sr

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


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.0 Angstroms and c = 1.632993161855452 Angstroms; the model cutoff was estimated to be 12.264900000467932 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.125 Angstroms and c = 1.8371173070873836 Angstroms; the model cutoff was estimated to be 12.264900000467932 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: -6.406215
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.335350818000734, total energy = -6.4062145990514745

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: -6.406215
         Iterations: 43
         Function evaluations: 94
Results for this minimization:
  a = 4.335350893973388, total energy = -6.406214599051495

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: -6.406215
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.33535079353024, total energy = -6.406214599051469

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: -6.406215
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.335350859758913, total energy = -6.406214599051486

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: -6.406215
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.335350810503588, total energy = -6.40621459905149

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: -6.406215
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.3353508450090885, total energy = -6.40621459905148

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: -6.406215
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.335350799560552, total energy = -6.406214599051475

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: -6.406215
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 4.335350766777996, total energy = -6.406214599051462

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: -6.406215
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.3353508763015265, total energy = -6.4062145990514825

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: -6.406215
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.335350854950953, total energy = -6.406214599051498

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: -6.406215
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.335350818000734, total energy = -6.406214599051473

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: -6.406215
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.335350843262862, total energy = -6.406214599051492

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: -6.406215
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 4.335350819380265, total energy = -6.4062145990514825

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: -6.406215
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.335350868653041, total energy = -6.406214599051482

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: -6.406215
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.3353508417261795, total energy = -6.4062145990514825

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: -6.406215
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.335350771434605, total energy = -6.406214599051464

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: -6.406215
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.335350860212931, total energy = -6.406214599051484

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: -6.406215
         Iterations: 36
         Function evaluations: 81
Results for this minimization:
  a = 4.335350835439752, total energy = -6.4062145990514825

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: -6.406215
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 4.335350874066352, total energy = -6.406214599051477

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: -6.406215
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.335350807523356, total energy = -6.4062145990514745

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: -6.406215
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.335350808687508, total energy = -6.406214599051476

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: -6.406215
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.335350868327079, total energy = -6.406214599051487

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: -6.406215
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.3353507936000835, total energy = -6.406214599051476

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: -6.406215
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 4.335350876301527, total energy = -6.406214599051486

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: -6.406215
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 4.335350845544601, total energy = -6.4062145990514825

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: -6.406215
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.335350818000734, total energy = -6.406214599051474

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: -6.406215
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 4.3353508763015265, total energy = -6.40621459905149

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: -6.406215
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.335350818320876, total energy = -6.406214599051479

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: -6.406215
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.335350854508579, total energy = -6.40621459905148

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: -6.406215
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 4.335350809211375, total energy = -6.4062145990514745

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: -6.406215
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.335350811656099, total energy = -6.406214599051478

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: -6.406215
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.335350856930015, total energy = -6.406214599051478

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: -6.406215
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.335350872843991, total energy = -6.406214599051489

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: -6.406215
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.335350854508578, total energy = -6.406214599051484

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: -6.406215
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 4.335350820852909, total energy = -6.4062145990514905

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: -6.406215
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.335350836277939, total energy = -6.406214599051488

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: -6.406215
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.335350841944454, total energy = -6.406214599051494

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: -6.406215
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.335350832296534, total energy = -6.406214599051473

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: -6.406215
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.335350856184956, total energy = -6.406214599051478

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: -6.406215
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.33535084111354, total energy = -6.406214599051485

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: -6.406215
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.335350808978546, total energy = -6.406214599051483

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: -6.406215
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.335350839211605, total energy = -6.406214599051482

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: -6.406215
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.335350857564477, total energy = -6.406214599051483

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: -6.406215
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.335350859398018, total energy = -6.406214599051491

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: -6.406215
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.33535083622555, total energy = -6.406214599051483

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: -6.406215
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.335350865032524, total energy = -6.4062145990514825

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: -6.406215
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.335350879363247, total energy = -6.40621459905149

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: -6.406215
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.3353508730884585, total energy = -6.406214599051479

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: -6.406215
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.335350857404403, total energy = -6.40621459905148

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: -6.406215
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.335350877908054, total energy = -6.4062145990514825

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: -6.406215
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.3353508450090885, total energy = -6.406214599051478

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: -6.406215
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.3353508674888905, total energy = -6.406214599051485

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: -6.406215
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.335350870853281, total energy = -6.406214599051478

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: -6.406215
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.335350842040491, total energy = -6.40621459905148

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: -6.406215
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.335350799746808, total energy = -6.40621459905147

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: -6.406215
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.33535085915355, total energy = -6.4062145990514905

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: -6.406215
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.335350876301531, total energy = -6.406214599051486

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: -6.406215
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.335350846141216, total energy = -6.40621459905148

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: -6.406215
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.335350843169721, total energy = -6.4062145990514825

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: -6.406215
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.335350854093846, total energy = -6.406214599051478

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: -6.406215
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 4.335350849374663, total energy = -6.406214599051482

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: -6.406215
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.335350842722257, total energy = -6.406214599051485

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: -6.406215
         Iterations: 41
         Function evaluations: 92
Results for this minimization:
  a = 4.335350844555057, total energy = -6.406214599051475

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: -6.406215
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.335350823670153, total energy = -6.40621459905149

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: -6.406215
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.335350809060035, total energy = -6.40621459905147

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: -6.406215
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.335350853871205, total energy = -6.406214599051478

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: -6.406215
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 4.3353508527390705, total energy = -6.4062145990514825

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: -6.406215
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.335350840573652, total energy = -6.406214599051482

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: -6.406215
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.335350845930217, total energy = -6.40621459905148

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: -6.406215
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.335350889082472, total energy = -6.4062145990514745

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: -6.406215
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.335350796813145, total energy = -6.406214599051475

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: -6.406215
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.335350813437256, total energy = -6.406214599051475

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: -6.406215
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.335350855020793, total energy = -6.406214599051479

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: -6.406215
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.335350835137062, total energy = -6.406214599051479

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: -6.406215
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.3353508420404925, total energy = -6.406214599051483

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: -6.406215
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.335350847919472, total energy = -6.406214599051488

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: -6.406215
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.335350814962297, total energy = -6.406214599051485

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: -6.406215
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.335350822884344, total energy = -6.406214599051474

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: -6.406215
         Iterations: 43
         Function evaluations: 88
Results for this minimization:
  a = 4.335350862983606, total energy = -6.40621459905148

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: -6.406215
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.335350845917125, total energy = -6.406214599051484

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: -6.406215
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.335350838897284, total energy = -6.40621459905147

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: -6.406215
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.335350879347975, total energy = -6.406214599051483

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: -6.406215
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 4.335350853390981, total energy = -6.406214599051468

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: -6.406215
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.335350802645545, total energy = -6.406214599051487

Attempting to perform relaxation using initial lattice constant guess of a = 11.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.406215
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.33535084768518, total energy = -6.40621459905148

Attempting to perform relaxation using initial lattice constant guess of a = 11.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.406215
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 4.335350846988149, total energy = -6.406214599051481

Attempting to perform relaxation using initial lattice constant guess of a = 12.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -6.406215
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.335350845009071, total energy = -6.406214599051473

Attempting to perform relaxation using initial lattice constant guess of a = 12.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2125000000000057 Angstroms and c = -1.980004208749745 Angstroms; the model cutoff was estimated to be 12.264900000467932 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 12.264900000467932 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 12.264900000467932 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 = [4.33535085] Angstroms and c = 5.663678640303275 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.406250
         Iterations: 68
         Function evaluations: 152
Results for this minimization:
  a = 4.332641034710276, c = 7.088397640308869, total energy = -6.406249793179426

Attempting to perform relaxation using initial lattice constant guess of a = [4.33535085] Angstroms and c = 6.01765855532223 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.406250
         Iterations: 81
         Function evaluations: 170
Results for this minimization:
  a = 4.3326409959687515, c = 7.08839775530922, total energy = -6.406249793179416

Attempting to perform relaxation using initial lattice constant guess of a = [4.33535085] Angstroms and c = 6.371638470341185 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.406250
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 4.332641033500158, c = 7.088397675309118, total energy = -6.406249793179428

Attempting to perform relaxation using initial lattice constant guess of a = [4.33535085] Angstroms and c = 6.725618385360139 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.406250
         Iterations: 64
         Function evaluations: 144
Results for this minimization:
  a = 4.332640967281192, c = 7.088397637295108, total energy = -6.40624979317942

Attempting to perform relaxation using initial lattice constant guess of a = [4.33535085] Angstroms and c = 7.079598300379094 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.406250
         Iterations: 64
         Function evaluations: 143
Results for this minimization:
  a = 4.332640992651805, c = 7.088397808813946, total energy = -6.4062497931794145

Attempting to perform relaxation using initial lattice constant guess of a = [4.33535085] Angstroms and c = 7.4335782153980485 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.406250
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 4.332641020172005, c = 7.088397725585523, total energy = -6.406249793179419

Attempting to perform relaxation using initial lattice constant guess of a = [4.33535085] Angstroms and c = 7.787558130417003 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.406250
         Iterations: 76
         Function evaluations: 155
Results for this minimization:
  a = 4.332641021955189, c = 7.088397624548861, total energy = -6.4062497931794145

Attempting to perform relaxation using initial lattice constant guess of a = [4.33535085] Angstroms and c = 8.141538045435958 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.406250
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 4.332641034246025, c = 7.088397557050084, total energy = -6.406249793179411

Attempting to perform relaxation using initial lattice constant guess of a = [4.33535085] Angstroms and c = 8.495517960454912 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.406250
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 4.3326410334067695, c = 7.088397668766966, total energy = -6.406249793179421

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

 Final lattice Constants:
   a = 4.332641033500158 Angstroms, c = 7.088397675309118 Angstroms, c/a = 1.636045

 Total energy: -6.406249793179428 eV

 Cohesive energy: -1.601562448294857 eV/atom

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