Element = Lattice = Model = Element: At
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 10.690799999535113 Angstroms
Computed isolated atomic energy of 0.0 eV for species At

==============================================================================
==============================================================================
 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 10.690799999535113 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))

Optimization terminated successfully.
         Current function value: -46.146724
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9177130826748896, total energy = -46.146723760214854

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: -46.146724
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9177130917087197, total energy = -46.14672376021482

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: -46.146724
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.91771309948527, total energy = -46.14672376021485

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: -46.146724
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9177130930125754, total energy = -46.14672376021494

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: -46.146724
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.917713094921785, total energy = -46.146723760214705

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: -46.146724
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.91771306321025, total energy = -46.14672376021457

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: -46.146724
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.917713091126643, total energy = -46.14672376021476

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: -46.146724
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9177130904048707, total energy = -46.146723760214705

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: -46.146724
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.917713117366658, total energy = -46.14672376021465

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: -46.146724
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9177130860276517, total energy = -46.14672376021471

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: -46.146724
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9177131110802277, total energy = -46.14672376021494

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: -46.146724
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9177130917087197, total energy = -46.14672376021482

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: -46.146724
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9177130850497646, total energy = -46.146723760214726

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: -46.146724
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9177130994852636, total energy = -46.14672376021484

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: -46.146724
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.917713104188442, total energy = -46.146723760214755

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: -46.146724
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.917713093012571, total energy = -46.146723760214925

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: -46.146724
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.9177131049800664, total energy = -46.146723760214655

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: -46.146724
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9177130931057027, total energy = -46.14672376021471

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: -46.146724
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9177130818366996, total energy = -46.146723760214606

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: -46.146724
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9177130684256554, total energy = -46.14672376021456

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: -46.146724
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.9177130891010146, total energy = -46.146723760214705

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: -46.146724
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.917713091126643, total energy = -46.14672376021479

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: -46.146724
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9177130687981814, total energy = -46.14672376021474

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: -46.146724
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9177130907773963, total energy = -46.146723760214684

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: -46.146724
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9177131030708567, total energy = -46.14672376021473

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: -46.146724
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9177131173666546, total energy = -46.14672376021466

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: -46.146724
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.917713086353615, total energy = -46.14672376021476

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: -46.146724
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9177130860276477, total energy = -46.14672376021471

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: -46.146724
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9177131078438823, total energy = -46.146723760214805

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: -46.146724
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9177130827680244, total energy = -46.14672376021471

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: -46.146724
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.91771312083874, total energy = -46.14672376021461

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: -46.146724
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9177130917087197, total energy = -46.146723760214805

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: -46.146724
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9177131162185055, total energy = -46.146723760214684

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: -46.146724
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.917713085049762, total energy = -46.14672376021473

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: -46.146724
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.917713104560973, total energy = -46.146723760214655

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: -46.146724
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.917713103070852, total energy = -46.14672376021478

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: -46.146724
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9177130850584945, total energy = -46.14672376021468

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: -46.146724
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9177131031174155, total energy = -46.14672376021468

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: -46.146724
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.91771312728524, total energy = -46.14672376021471

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: -46.146724
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.917713093012564, total energy = -46.146723760214904

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: -46.146724
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.917713086312866, total energy = -46.1467237602147

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: -46.146724
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.9177131049800664, total energy = -46.146723760214655

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: -46.146724
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.9177130963391367, total energy = -46.14672376021487

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: -46.146724
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.9177130990836244, total energy = -46.146723760214776

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: -46.146724
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.917713084118433, total energy = -46.14672376021477

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: -46.146724
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9177130822295974, total energy = -46.14672376021467

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: -46.146724
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.917713090777397, total energy = -46.14672376021469

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: -46.146724
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9177130684256536, total energy = -46.14672376021455

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: -46.146724
         Iterations: 41
         Function evaluations: 84
Results for this minimization:
  a = 2.917713090288447, total energy = -46.14672376021479

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: -46.146724
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9177130891010075, total energy = -46.14672376021476

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: -46.146724
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.9177131122065427, total energy = -46.14672376021462

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: -46.146724
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.917713091126643, total energy = -46.1467237602148

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: -46.146724
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9177130945958236, total energy = -46.14672376021461

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: -46.146724
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9177130687981707, total energy = -46.14672376021471

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: -46.146724
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.9177130698924794, total energy = -46.14672376021487

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: -46.146724
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 2.9177130907773927, total energy = -46.14672376021469

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: -46.146724
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 2.9177130931057036, total energy = -46.146723760214705

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: -46.146724
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.917713090777402, total energy = -46.146723760214755

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: -46.146724
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 2.917713104802518, total energy = -46.14672376021465

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: -46.146724
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.9177131213247685, total energy = -46.14672376021462

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: -46.146724
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 2.917713107401501, total energy = -46.14672376021483

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9125000000000156 Angstroms and c = -1.4901062601931256 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9250000000000078 Angstroms and c = -1.510518674716306 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9375 Angstroms and c = -1.5309310892394863 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9499999999999922 Angstroms and c = -1.5513435037626666 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9625000000000234 Angstroms and c = -1.5717559182859109 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 9.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9750000000000156 Angstroms and c = -1.5921683328090912 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9875000000000078 Angstroms and c = -1.6125807473322717 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 10.690799999535113 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.91771309] Angstroms and c = 3.8116844233165255 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.146724
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.9176936663902753, c = 4.76466894231671, total energy = -46.146723839710106

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771309] Angstroms and c = 4.049914699773808 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.146724
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.9176936976361105, c = 4.764668957572762, total energy = -46.14672383971008

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771309] Angstroms and c = 4.288144976231091 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.146724
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.917693708439481, c = 4.764668890339038, total energy = -46.146723839710226

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771309] Angstroms and c = 4.526375252688373 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.146724
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.9176937042151696, c = 4.764668819588577, total energy = -46.14672383971007

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771309] Angstroms and c = 4.764605529145656 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.146724
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.9176937004475407, c = 4.764668858020732, total energy = -46.14672383971019

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771309] Angstroms and c = 5.002835805602938 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.146724
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 2.917693693604919, c = 4.76466890378643, total energy = -46.146723839710134

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771309] Angstroms and c = 5.241066082060221 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.146724
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.9176936780746736, c = 4.764668968104442, total energy = -46.146723839710035

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771309] Angstroms and c = 5.479296358517503 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.146724
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.9176936799601414, c = 4.76466888250558, total energy = -46.146723839710106

Attempting to perform relaxation using initial lattice constant guess of a = [2.91771309] Angstroms and c = 5.717526634974786 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -46.146724
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.9176936907043345, c = 4.764668858393064, total energy = -46.14672383971022

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

 Final lattice Constants:
   a = 2.917693708439481 Angstroms, c = 4.764668890339038 Angstroms, c/a = 1.633026

 Total energy: -46.146723839710226 eV

 Cohesive energy: -11.536680959927557 eV/atom

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