Element = Lattice = Model = Element: Ar
Lattice: hcp
Model: LJ_Shifted_Bernardes_1958MedCutoff_Ar__MO_126566794224_004
Computed model cutoff of 13.499999998733411 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ar

==============================================================================
==============================================================================
 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 13.499999998733411 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 13.499999998733411 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 13.499999998733411 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))

Optimization terminated successfully.
         Current function value: -0.346138
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.711686484387621, total energy = -0.346137957787661

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: -0.346138
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.7116865150630516, total energy = -0.346137957787661

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: -0.346138
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.711686514317993, total energy = -0.34613795778766143

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: -0.346138
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.7116865351796147, total energy = -0.34613795778766204

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: -0.346138
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.7116864969721064, total energy = -0.34613795778766177

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: -0.346138
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.711686494946484, total energy = -0.3461379577876602

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: -0.346138
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.711686508357526, total energy = -0.3461379577876601

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: -0.346138
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.711686522047967, total energy = -0.34613795778766027

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: -0.346138
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.711686499416824, total energy = -0.3461379577876619

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: -0.346138
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.711686499416828, total energy = -0.34613795778766115

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: -0.346138
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.7116865351796173, total energy = -0.3461379577876619

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: -0.346138
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.711686484387614, total energy = -0.34613795778766127

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: -0.346138
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.7116865078394774, total energy = -0.34613795778766043

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: -0.346138
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.711686515063048, total energy = -0.3461379577876608

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: -0.346138
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.711686487076804, total energy = -0.34613795778766193

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: -0.346138
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.7116865143179902, total energy = -0.34613795778766115

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: -0.346138
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.7116865344112746, total energy = -0.3461379577876602

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: -0.346138
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.7116865351796147, total energy = -0.34613795778766215

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: -0.346138
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.7116865120828155, total energy = -0.3461379577876604

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: -0.346138
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.711686499416828, total energy = -0.34613795778766104

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: -0.346138
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.711686492606531, total energy = -0.3461379577876602

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: -0.346138
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.711686494946479, total energy = -0.3461379577876604

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: -0.346138
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.7116865111514934, total energy = -0.3461379577876607

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: -0.346138
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.7116865083575235, total energy = -0.34613795778766016

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: -0.346138
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.7116865143179893, total energy = -0.34613795778766115

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: -0.346138
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.711686522047965, total energy = -0.3461379577876604

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: -0.346138
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.711686548031866, total energy = -0.34613795778765927

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: -0.346138
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.7116864994168286, total energy = -0.3461379577876614

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: -0.346138
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.711686502210795, total energy = -0.3461379577876611

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: -0.346138
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.711686499416828, total energy = -0.3461379577876615

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: -0.346138
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.711686518602071, total energy = -0.346137957787661

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: -0.346138
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.711686535179614, total energy = -0.34613795778766204

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: -0.346138
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.711686513083988, total energy = -0.3461379577876613

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: -0.346138
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.7116865174262768, total energy = -0.3461379577876603

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: -0.346138
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.7116864995477954, total energy = -0.3461379577876615

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: -0.346138
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.711686507705595, total energy = -0.3461379577876601

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: -0.346138
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.711686511430888, total energy = -0.34613795778766077

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: -0.346138
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.711686515063041, total energy = -0.3461379577876603

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: -0.346138
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7116865143179862, total energy = -0.3461379577876611

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: -0.346138
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.711686487076804, total energy = -0.3461379577876619

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: -0.346138
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7116864988580316, total energy = -0.34613795778766104

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: -0.346138
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.711686494946476, total energy = -0.346137957787661

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: -0.346138
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.71168650221079, total energy = -0.3461379577876609

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: -0.346138
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7116865111514894, total energy = -0.3461379577876605

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: -0.346138
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.711686487076804, total energy = -0.34613795778766165

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: -0.346138
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.711686535179613, total energy = -0.34613795778766193

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: -0.346138
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.711686499416823, total energy = -0.3461379577876617

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: -0.346138
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.7116865120828084, total energy = -0.34613795778766054

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: -0.346138
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7116865188174373, total energy = -0.34613795778766054

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: -0.346138
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.711686502210796, total energy = -0.3461379577876609

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: -0.346138
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7116864990617646, total energy = -0.3461379577876605

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: -0.346138
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.711686500185157, total energy = -0.34613795778765943

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: -0.346138
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.711686509265557, total energy = -0.34613795778766177

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: -0.346138
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.7116864949464756, total energy = -0.3461379577876611

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: -0.346138
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.7116865143179893, total energy = -0.3461379577876611

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: -0.346138
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.711686511151497, total energy = -0.34613795778766077

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: -0.346138
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.7116865070885856, total energy = -0.34613795778765993

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: -0.346138
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.7116865083575163, total energy = -0.3461379577876604

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: -0.346138
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.7116864947194657, total energy = -0.3461379577876625

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: -0.346138
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.7116865143179893, total energy = -0.34613795778766104

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: -0.346138
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.711686497740452, total energy = -0.34613795778766077

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: -0.346138
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.7116864994168153, total energy = -0.34613795778766165

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: -0.346138
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.711686484293014, total energy = -0.34613795778766016

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: -0.346138
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.7116865480318624, total energy = -0.3461379577876596

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: -0.346138
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.711686502210796, total energy = -0.34613795778766043

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: -0.346138
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.711686499085049, total energy = -0.3461379577876612

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: -0.346138
         Iterations: 44
         Function evaluations: 94
Results for this minimization:
  a = 3.711686521764192, total energy = -0.34613795778766054

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: -0.346138
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.711686493130393, total energy = -0.3461379577876619

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: -0.346138
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.711686487862603, total energy = -0.34613795778766066

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: -0.346138
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.711686499416828, total energy = -0.3461379577876611

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: -0.346138
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.711686476890468, total energy = -0.34613795778766177

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: -0.346138
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.7116865186020602, total energy = -0.34613795778766127

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: -0.346138
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.7116864865456494, total energy = -0.34613795778766077

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: -0.346138
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.7116865351796107, total energy = -0.3461379577876621

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: -0.346138
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.7116865570424125, total energy = -0.34613795778765866

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: -0.346138
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.7116865130839916, total energy = -0.3461379577876614

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: -0.346138
         Iterations: 42
         Function evaluations: 93
Results for this minimization:
  a = 3.7116864925017437, total energy = -0.34613795778766066

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: -0.346138
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.711686520499634, total energy = -0.3461379577876607

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 13.499999998733411 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 13.499999998733411 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 13.499999998733411 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 13.499999998733411 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 13.499999998733411 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 = 11.75 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 = 11.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1750000000000078 Angstroms and c = -1.9187669651801689 Angstroms; the model cutoff was estimated to be 13.499999998733411 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 = 11.875 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 = 11.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.1875 Angstroms and c = -1.9391793797033494 Angstroms; the model cutoff was estimated to be 13.499999998733411 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 = 12.0 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 = 12.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2000000000000313 Angstroms and c = -1.9595917942265935 Angstroms; the model cutoff was estimated to be 13.499999998733411 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 = 12.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2125000000000057 Angstroms and c = -1.980004208749745 Angstroms; the model cutoff was estimated to be 13.499999998733411 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2250000000000156 Angstroms and c = -2.000416623272954 Angstroms; the model cutoff was estimated to be 13.499999998733411 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 12.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.2375000000000256 Angstroms and c = -2.0208290377961635 Angstroms; the model cutoff was estimated to be 13.499999998733411 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 = 12.5 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 = 12.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.25 Angstroms and c = -2.041241452319315 Angstroms; the model cutoff was estimated to be 13.499999998733411 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 = 12.625 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 13.499999998733411 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 13.499999998733411 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 13.499999998733411 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 13.499999998733411 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 13.499999998733411 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 13.499999998733411 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 13.499999998733411 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 13.499999998733411 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 = [3.71168649] Angstroms and c = 4.848926931862496 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.346138
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 3.7116618575226648, c = 6.0612392878251455, total energy = -0.34613795838440325

Attempting to perform relaxation using initial lattice constant guess of a = [3.71168649] Angstroms and c = 5.151984865103902 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.346138
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 3.7116618513332833, c = 6.061239237713406, total energy = -0.3461379583844031

Attempting to perform relaxation using initial lattice constant guess of a = [3.71168649] Angstroms and c = 5.455042798345308 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.346138
         Iterations: 80
         Function evaluations: 159
Results for this minimization:
  a = 3.7116617716973694, c = 6.061239308714241, total energy = -0.3461379583844027

Attempting to perform relaxation using initial lattice constant guess of a = [3.71168649] Angstroms and c = 5.758100731586714 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.346138
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 3.711661820413002, c = 6.061239264966568, total energy = -0.3461379583844033

Attempting to perform relaxation using initial lattice constant guess of a = [3.71168649] Angstroms and c = 6.0611586648281195 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.346138
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 3.7116618237282526, c = 6.061239246128128, total energy = -0.3461379583844043

Attempting to perform relaxation using initial lattice constant guess of a = [3.71168649] Angstroms and c = 6.364216598069525 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.346138
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 3.7116617910274483, c = 6.061239242099314, total energy = -0.3461379583844032

Attempting to perform relaxation using initial lattice constant guess of a = [3.71168649] Angstroms and c = 6.667274531310931 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.346138
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.7116618391660934, c = 6.061239279371141, total energy = -0.34613795838440353

Attempting to perform relaxation using initial lattice constant guess of a = [3.71168649] Angstroms and c = 6.970332464552337 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.346138
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 3.7116618300320736, c = 6.0612393435655845, total energy = -0.34613795838440337

Attempting to perform relaxation using initial lattice constant guess of a = [3.71168649] Angstroms and c = 7.273390397793743 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -0.346138
         Iterations: 80
         Function evaluations: 166
Results for this minimization:
  a = 3.711661847750968, c = 6.061239221801387, total energy = -0.34613795838440287

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

 Final lattice Constants:
   a = 3.7116618237282526 Angstroms, c = 6.061239246128128 Angstroms, c/a = 1.633026

 Total energy: -0.3461379583844043 eV

 Cohesive energy: -0.08653448959610108 eV/atom

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