Element = Lattice = Model = Element: W
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 11.545999999940406 Angstroms
Computed isolated atomic energy of 0.0 eV for species W

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


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.0 Angstroms and c = 1.632993161855452 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.125 Angstroms and c = 1.8371173070873836 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Optimization terminated successfully.
         Current function value: -228.624456
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.151123596355319, total energy = -228.62445564052732

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: -228.624456
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.151123597612612, total energy = -228.62445564052805

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: -228.624456
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1511235857382456, total energy = -228.6244556405278

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: -228.624456
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.151123592408841, total energy = -228.62445564052865

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: -228.624456
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.151123611722141, total energy = -228.6244556405274

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: -228.624456
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1511235795915127, total energy = -228.62445564052817

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: -228.624456
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.1511235715821417, total energy = -228.6244556405273

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: -228.624456
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1511235904647066, total energy = -228.62445564052794

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: -228.624456
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.151123584900052, total energy = -228.62445564052769

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: -228.624456
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.151123607586486, total energy = -228.62445564052805

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: -228.624456
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.151123596355319, total energy = -228.6244556405274

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: -228.624456
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1511235804297044, total energy = -228.6244556405275

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: -228.624456
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.1511235976126057, total energy = -228.62445564052769

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: -228.624456
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.1511235979502095, total energy = -228.62445564052734

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: -228.624456
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.151123574911617, total energy = -228.62445564052769

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: -228.624456
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.1511235795915127, total energy = -228.62445564052828

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: -228.624456
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.1511235924088394, total energy = -228.62445564052865

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: -228.624456
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.151123589091003, total energy = -228.62445564052763

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: -228.624456
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.1511236117221406, total energy = -228.62445564052751

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: -228.624456
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.1511235857848074, total energy = -228.62445564052803

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: -228.624456
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.1511235795915127, total energy = -228.624455640528

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: -228.624456
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 3.1511236087419072, total energy = -228.62445564052817

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: -228.624456
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.151123571302741, total energy = -228.6244556405274

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: -228.624456
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.151123608177296, total energy = -228.62445564052823

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: -228.624456
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.151123614015521, total energy = -228.6244556405275

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: -228.624456
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1511235921643674, total energy = -228.62445564052723

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: -228.624456
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1511235849000485, total energy = -228.62445564052774

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: -228.624456
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.151123590907081, total energy = -228.6244556405286

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: -228.624456
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.151123607586489, total energy = -228.6244556405283

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: -228.624456
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.151123558357355, total energy = -228.62445564052783

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: -228.624456
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.151123596355319, total energy = -228.62445564052746

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: -228.624456
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.151123598113187, total energy = -228.62445564052794

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: -228.624456
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1511236158781673, total energy = -228.62445564052683

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: -228.624456
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.151123571302743, total energy = -228.62445564052751

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: -228.624456
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.151123598124829, total energy = -228.62445564052766

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: -228.624456
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.1511235624784604, total energy = -228.62445564052703

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: -228.624456
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.151123597950204, total energy = -228.62445564052726

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: -228.624456
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.1511236195830845, total energy = -228.62445564052766

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: -228.624456
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.151123584900044, total energy = -228.62445564052788

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: -228.624456
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.1511235945887117, total energy = -228.6244556405279

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: -228.624456
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1511235795915127, total energy = -228.62445564052817

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: -228.624456
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1511235951154934, total energy = -228.6244556405277

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: -228.624456
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.1511236116290036, total energy = -228.62445564052794

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: -228.624456
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.151123571505006, total energy = -228.62445564052712

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: -228.624456
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.1511235889338387, total energy = -228.62445564052774

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: -228.624456
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.1511236196383834, total energy = -228.62445564052706

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: -228.624456
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.1511236117221397, total energy = -228.6244556405274

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: -228.624456
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1511236088583194, total energy = -228.62445564052888

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: -228.624456
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.1511235837591736, total energy = -228.62445564052774

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: -228.624456
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.1511235887184696, total energy = -228.6244556405279

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: -228.624456
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1511235795915127, total energy = -228.62445564052808

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: -228.624456
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.1511235789395906, total energy = -228.62445564052757

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: -228.624456
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.1511236116289965, total energy = -228.62445564052788

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: -228.624456
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.1511235750513062, total energy = -228.6244556405282

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: -228.624456
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1511235713958694, total energy = -228.6244556405275

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: -228.624456
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.151123565432499, total energy = -228.62445564052666

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: -228.624456
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.151123605199978, total energy = -228.62445564052732

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: -228.624456
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.151123567332967, total energy = -228.62445564052783

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: -228.624456
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.1511236161924803, total energy = -228.62445564052734

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: -228.624456
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.1511236133461313, total energy = -228.62445564052734

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: -228.624456
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.1511235921643674, total energy = -228.62445564052723

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: -228.624456
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.151123611256485, total energy = -228.62445564052754

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: -228.624456
         Iterations: 41
         Function evaluations: 85
Results for this minimization:
  a = 3.151123584061847, total energy = -228.62445564052794

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: -228.624456
         Iterations: 45
         Function evaluations: 97
Results for this minimization:
  a = 3.1511235893587495, total energy = -228.62445564052814

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: -228.624456
         Iterations: 42
         Function evaluations: 89
Results for this minimization:
  a = 3.1511235909070776, total energy = -228.62445564052845

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: -228.624456
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.1511235795915127, total energy = -228.6244556405282

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 11.545999999940406 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 11.545999999940406 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 11.545999999940406 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 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0 Angstroms and c = -1.632993161855452 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0124999999999922 Angstroms and c = -1.6534055763786324 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0250000000000234 Angstroms and c = -1.6738179909018767 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0375000000000156 Angstroms and c = -1.694230405425057 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0500000000000078 Angstroms and c = -1.7146428199482375 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0625 Angstroms and c = -1.7350552344714179 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0749999999999922 Angstroms and c = -1.7554676489945982 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 10.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.0875000000000234 Angstroms and c = -1.7758800635178424 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1000000000000156 Angstroms and c = -1.7962924780410228 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1125000000000078 Angstroms and c = -1.816704892564203 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.125 Angstroms and c = -1.8371173070873836 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1374999999999922 Angstroms and c = -1.857529721610564 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1500000000000234 Angstroms and c = -1.8779421361338082 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 11.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 11.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1625000000000156 Angstroms and c = -1.8983545506569885 Angstroms; the model cutoff was estimated to be 11.545999999940406 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [3.15112361] Angstroms and c = 4.116610644341528 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -228.624456
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.1511026195596465, c = 5.1458316567594435, total energy = -228.62445603437118

Attempting to perform relaxation using initial lattice constant guess of a = [3.15112361] Angstroms and c = 4.373898809612874 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -228.624456
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 3.1511026456002145, c = 5.145831696403613, total energy = -228.62445603437135

Attempting to perform relaxation using initial lattice constant guess of a = [3.15112361] Angstroms and c = 4.63118697488422 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -228.624456
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 3.1511026337788604, c = 5.145831713279848, total energy = -228.62445603437132

Attempting to perform relaxation using initial lattice constant guess of a = [3.15112361] Angstroms and c = 4.888475140155566 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -228.624456
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.1511026319866433, c = 5.14583170473656, total energy = -228.62445603437183

Attempting to perform relaxation using initial lattice constant guess of a = [3.15112361] Angstroms and c = 5.145763305426912 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -228.624456
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.1511026351338822, c = 5.145831773558829, total energy = -228.62445603437175

Attempting to perform relaxation using initial lattice constant guess of a = [3.15112361] Angstroms and c = 5.403051470698258 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -228.624456
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 3.151102626379396, c = 5.145831725515724, total energy = -228.624456034372

Attempting to perform relaxation using initial lattice constant guess of a = [3.15112361] Angstroms and c = 5.660339635969604 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -228.624456
         Iterations: 79
         Function evaluations: 161
Results for this minimization:
  a = 3.151102630203887, c = 5.145831713825605, total energy = -228.6244560343719

Attempting to perform relaxation using initial lattice constant guess of a = [3.15112361] Angstroms and c = 5.91762780124095 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -228.624456
         Iterations: 77
         Function evaluations: 161
Results for this minimization:
  a = 3.1511026356625926, c = 5.1458317354130925, total energy = -228.62445603437135

Attempting to perform relaxation using initial lattice constant guess of a = [3.15112361] Angstroms and c = 6.1749159665122955 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -228.624456
         Iterations: 71
         Function evaluations: 146
Results for this minimization:
  a = 3.1511026531247595, c = 5.14583168093795, total energy = -228.62445603437217

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

 Final lattice Constants:
   a = 3.1511026531247595 Angstroms, c = 5.14583168093795 Angstroms, c/a = 1.633026

 Total energy: -228.62445603437217 eV

 Cohesive energy: -57.15611400859304 eV/atom

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