Element = Lattice = Model = Element: Ba
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 15.323500002324597 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ba

==============================================================================
==============================================================================
 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 15.323500002324597 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 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.25 Angstroms and c = 2.041241452319315 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.375 Angstroms and c = 2.2453655975512468 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.5 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.5 Angstroms and c = 2.449489742783178 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.182044498360486, total energy = -63.28580366146491

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: -63.285804
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.182044503418728, total energy = -63.2858036614653

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: -63.285804
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 4.18204452842474, total energy = -63.285803661464925

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: -63.285804
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.182044549286369, total energy = -63.285803661464676

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: -63.285804
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.182044539385244, total energy = -63.28580366146462

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: -63.285804
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.182044566422699, total energy = -63.28580366146443

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: -63.285804
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.182044458168088, total energy = -63.28580366146446

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: -63.285804
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.18204452842474, total energy = -63.28580366146494

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: -63.285804
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.182044523954394, total energy = -63.28580366146485

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: -63.285804
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 4.182044505391975, total energy = -63.285803661465344

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: -63.285804
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.182044553197921, total energy = -63.285803661464634

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: -63.285804
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.182044564327228, total energy = -63.28580366146474

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: -63.285804
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.182044528279221, total energy = -63.28580366146512

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: -63.285804
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.182044498360486, total energy = -63.2858036614648

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: -63.285804
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.182044525875247, total energy = -63.28580366146487

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: -63.285804
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 4.182044503418728, total energy = -63.285803661465266

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: -63.285804
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 4.182044548611158, total energy = -63.285803661464854

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: -63.285804
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 4.18204452842474, total energy = -63.28580366146492

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: -63.285804
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.182044491916896, total energy = -63.28580366146489

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: -63.285804
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 4.182044554501772, total energy = -63.28580366146456

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: -63.285804
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 4.182044521719217, total energy = -63.285803661464705

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: -63.285804
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 4.182044541463256, total energy = -63.28580366146458

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: -63.285804
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.182044539549679, total energy = -63.28580366146484

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: -63.285804
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.182044566422699, total energy = -63.28580366146443

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: -63.285804
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.182044508494437, total energy = -63.28580366146496

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: -63.285804
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 4.182044458168091, total energy = -63.285803661464485

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: -63.285804
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.182044542778747, total energy = -63.28580366146495

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: -63.285804
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.18204452842474, total energy = -63.28580366146489

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: -63.285804
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.182044491381383, total energy = -63.28580366146457

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: -63.285804
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.1820445229765015, total energy = -63.28580366146488

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: -63.285804
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 4.1820444732904445, total energy = -63.285803661464875

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: -63.285804
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 4.18204450686462, total energy = -63.285803661464776

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: -63.285804
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.1820445416960865, total energy = -63.28580366146462

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: -63.285804
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 4.182044553197917, total energy = -63.285803661464605

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: -63.285804
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 4.182044513977598, total energy = -63.28580366146489

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: -63.285804
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.182044564327221, total energy = -63.285803661464726

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: -63.285804
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 4.182044529821722, total energy = -63.28580366146462

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: -63.285804
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.182044528279221, total energy = -63.28580366146511

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: -63.285804
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.182044502475763, total energy = -63.285803661464946

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: -63.285804
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.1820444983604785, total energy = -63.28580366146478

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: -63.285804
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 4.182044517993921, total energy = -63.285803661464996

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: -63.285804
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.182044521160421, total energy = -63.28580366146479

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: -63.285804
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 4.182044554501772, total energy = -63.285803661464556

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: -63.285804
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 4.182044503418727, total energy = -63.28580366146526

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: -63.285804
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.18204456279054, total energy = -63.2858036614648

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: -63.285804
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 4.182044546585525, total energy = -63.285803661464705

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: -63.285804
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 4.182044540188507, total energy = -63.28580366146479

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: -63.285804
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 4.18204452842474, total energy = -63.285803661464904

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: -63.285804
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.182044512219731, total energy = -63.28580366146479

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: -63.285804
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 4.182044491916885, total energy = -63.28580366146478

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: -63.285804
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 4.182044538133771, total energy = -63.28580366146485

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: -63.285804
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.182044554501768, total energy = -63.285803661464534

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: -63.285804
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 4.182044509332627, total energy = -63.285803661464975

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: -63.285804
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.18204452171922, total energy = -63.28580366146473

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: -63.285804
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 4.182044564187517, total energy = -63.2858036614646

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: -63.285804
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.182044519297772, total energy = -63.28580366146474

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: -63.285804
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.1820445462362805, total energy = -63.28580366146451

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: -63.285804
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 4.182044539549679, total energy = -63.28580366146485

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: -63.285804
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 4.182044491730635, total energy = -63.28580366146515

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: -63.285804
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 4.182044566422689, total energy = -63.28580366146443

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: -63.285804
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.182044500119804, total energy = -63.28580366146507

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: -63.285804
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.1820445084944335, total energy = -63.285803661464925

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: -63.285804
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.18204452842474, total energy = -63.28580366146485

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: -63.285804
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 4.182044458168095, total energy = -63.28580366146452

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: -63.285804
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.18204448539908, total energy = -63.2858036614647

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: -63.285804
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.182044539600602, total energy = -63.28580366146472

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: -63.285804
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.182044503035281, total energy = -63.285803661464996

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: -63.285804
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.18204452842474, total energy = -63.28580366146489

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: -63.285804
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 4.1820444850134715, total energy = -63.28580366146463

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: -63.285804
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.182044551521527, total energy = -63.28580366146455

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: -63.285804
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 4.182044528424731, total energy = -63.28580366146484

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: -63.285804
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.182044522976498, total energy = -63.285803661464946

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: -63.285804
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 4.18204453360886, total energy = -63.28580366146506

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: -63.285804
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.182044473290448, total energy = -63.28580366146475

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: -63.285804
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.182044546648818, total energy = -63.28580366146473

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: -63.285804
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 4.182044506352385, total energy = -63.28580366146478

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: -63.285804
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 4.182044534478333, total energy = -63.28580366146491

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: -63.285804
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 4.182044540386414, total energy = -63.28580366146462

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: -63.285804
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 4.1820445279474425, total energy = -63.28580366146502

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: -63.285804
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.182044574618326, total energy = -63.28580366146448

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: -63.285804
         Iterations: 41
         Function evaluations: 90
Results for this minimization:
  a = 4.182044584304085, total energy = -63.285803661464236

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: -63.285804
         Iterations: 43
         Function evaluations: 90
Results for this minimization:
  a = 4.182044513977594, total energy = -63.28580366146485

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: -63.285804
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 4.182044507520914, total energy = -63.28580366146467

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: -63.285804
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.182044564327207, total energy = -63.28580366146466

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

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 4.182044546375979, total energy = -63.28580366146501

Attempting to perform relaxation using initial lattice constant guess of a = 12.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.182044529821715, total energy = -63.28580366146464

Attempting to perform relaxation using initial lattice constant guess of a = 12.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 4.1820445272896745, total energy = -63.28580366146478

Attempting to perform relaxation using initial lattice constant guess of a = 12.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 4.182044528279221, total energy = -63.285803661465096

Attempting to perform relaxation using initial lattice constant guess of a = 12.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2625000000000313 Angstroms and c = -2.0616538668425592 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2750000000000057 Angstroms and c = -2.0820662813657105 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 12.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2875000000000156 Angstroms and c = -2.10247869588892 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 13.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3000000000000256 Angstroms and c = -2.1228911104121293 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 13.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3125 Angstroms and c = -2.143303524935281 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 13.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3250000000000313 Angstroms and c = -2.163715939458525 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 13.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3375000000000057 Angstroms and c = -2.1841283539816763 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 13.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3500000000000156 Angstroms and c = -2.2045407685048857 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 13.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 13.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.375 Angstroms and c = -2.2453655975512468 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 13.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3875000000000313 Angstroms and c = -2.265778012074491 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4000000000000057 Angstroms and c = -2.286190426597642 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4125000000000156 Angstroms and c = -2.3066028411208515 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4250000000000256 Angstroms and c = -2.327015255644061 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4375 Angstroms and c = -2.3474276701672125 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.5 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 = 14.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4500000000000313 Angstroms and c = -2.3678400846904566 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.625 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 = 14.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4625000000000057 Angstroms and c = -2.388252499213608 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.75 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 = 14.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4750000000000156 Angstroms and c = -2.4086649137368172 Angstroms; the model cutoff was estimated to be 15.323500002324597 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 14.875 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 = 14.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4875000000000256 Angstroms and c = -2.4290773282600266 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = 15.0 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 = 15.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5 Angstroms and c = -2.449489742783178 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = 15.125 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 = 15.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5125000000000313 Angstroms and c = -2.4699021573064224 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = 15.25 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 = 15.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5249999999999844 Angstroms and c = -2.490314571829539 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = 15.375 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 = 15.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.5375000000000156 Angstroms and c = -2.510726986352783 Angstroms; the model cutoff was estimated to be 15.323500002324597 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 = [4.18204451] Angstroms and c = 5.463400063904209 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 4.182016701320995, c = 6.829340897603974, total energy = -63.28580377048506

Attempting to perform relaxation using initial lattice constant guess of a = [4.18204451] Angstroms and c = 5.804862567898222 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 4.182016707754395, c = 6.829341065791024, total energy = -63.28580377048472

Attempting to perform relaxation using initial lattice constant guess of a = [4.18204451] Angstroms and c = 6.146325071892234 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 78
         Function evaluations: 158
Results for this minimization:
  a = 4.182016675871541, c = 6.82934084855911, total energy = -63.28580377048518

Attempting to perform relaxation using initial lattice constant guess of a = [4.18204451] Angstroms and c = 6.487787575886247 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 4.182016679152662, c = 6.829340924634826, total energy = -63.285803770485145

Attempting to perform relaxation using initial lattice constant guess of a = [4.18204451] Angstroms and c = 6.82925007988026 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 4.1820166878233245, c = 6.829340953937308, total energy = -63.285803770485266

Attempting to perform relaxation using initial lattice constant guess of a = [4.18204451] Angstroms and c = 7.1707125838742725 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 4.182016716552198, c = 6.8293410344304055, total energy = -63.28580377048521

Attempting to perform relaxation using initial lattice constant guess of a = [4.18204451] Angstroms and c = 7.512175087868285 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 4.182016706349595, c = 6.829340988680222, total energy = -63.28580377048494

Attempting to perform relaxation using initial lattice constant guess of a = [4.18204451] Angstroms and c = 7.853637591862298 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 75
         Function evaluations: 160
Results for this minimization:
  a = 4.182016687596246, c = 6.82934086814689, total energy = -63.285803770484996

Attempting to perform relaxation using initial lattice constant guess of a = [4.18204451] Angstroms and c = 8.195100095856311 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -63.285804
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 4.1820166633591604, c = 6.829340801287699, total energy = -63.285803770484776

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

 Final lattice Constants:
   a = 4.1820166878233245 Angstroms, c = 6.829340953937308 Angstroms, c/a = 1.633026

 Total energy: -63.285803770485266 eV

 Cohesive energy: -15.821450942621317 eV/atom

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