Element = Lattice = Model = Element: Gd
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 13.969299993515014 Angstroms
Computed isolated atomic energy of 0.0 eV for species Gd

==============================================================================
==============================================================================
 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Attempted to evaluate energy at a = 1.375 Angstroms and c = 2.2453655975512468 Angstroms; the model cutoff was estimated to be 13.969299993515014 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.812469684239482, total energy = -69.93279370892824

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: -69.932794
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.812469739653172, total energy = -69.93279370892816

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: -69.932794
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.8124696847517043, total energy = -69.93279370892813

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: -69.932794
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8124697264283895, total energy = -69.9327937089286

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: -69.932794
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.812469692528252, total energy = -69.9327937089283

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: -69.932794
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.812469681835502, total energy = -69.93279370892819

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: -69.932794
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.8124696792103356, total energy = -69.9327937089282

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: -69.932794
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.812469688337292, total energy = -69.93279370892834

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: -69.932794
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.8124697217717767, total energy = -69.93279370892841

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: -69.932794
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8124696792103387, total energy = -69.9327937089282

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: -69.932794
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.8124697241932193, total energy = -69.93279370892844

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: -69.932794
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.8124697113176804, total energy = -69.9327937089284

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: -69.932794
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.8124697241932175, total energy = -69.93279370892837

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: -69.932794
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.8124697329476476, total energy = -69.93279370892827

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: -69.932794
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.8124697225517603, total energy = -69.932793708928

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: -69.932794
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.8124697259394464, total energy = -69.93279370892823

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: -69.932794
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.812469699420035, total energy = -69.93279370892833

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: -69.932794
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.8124697057181045, total energy = -69.93279370892833

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: -69.932794
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.8124697264283895, total energy = -69.9327937089285

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: -69.932794
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.8124697001243475, total energy = -69.93279370892826

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: -69.932794
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.812469719350338, total energy = -69.93279370892812

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: -69.932794
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.8124697241932157, total energy = -69.93279370892834

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: -69.932794
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.8124696818354993, total energy = -69.93279370892822

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: -69.932794
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8124697223393014, total energy = -69.93279370892827

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: -69.932794
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.812469679210334, total energy = -69.93279370892813

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: -69.932794
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.8124697090126567, total energy = -69.93279370892833

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: -69.932794
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.8124696901068096, total energy = -69.93279370892829

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: -69.932794
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.812469702120868, total energy = -69.93279370892832

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: -69.932794
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.8124697217717767, total energy = -69.93279370892837

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: -69.932794
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.81246971725486, total energy = -69.93279370892822

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: -69.932794
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.812469679210335, total energy = -69.93279370892817

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: -69.932794
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.812469705357218, total energy = -69.93279370892834

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: -69.932794
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.812469736486671, total energy = -69.93279370892802

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: -69.932794
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.812469730968587, total energy = -69.93279370892823

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: -69.932794
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.812469711317677, total energy = -69.93279370892834

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: -69.932794
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.812469741597305, total energy = -69.9327937089282

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: -69.932794
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.8124697241932104, total energy = -69.9327937089283

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: -69.932794
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8124697241932126, total energy = -69.93279370892833

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: -69.932794
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.812469732874888, total energy = -69.93279370892822

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: -69.932794
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.8124696878716335, total energy = -69.93279370892809

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: -69.932794
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.8124696957645887, total energy = -69.93279370892829

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: -69.932794
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.812469690479332, total energy = -69.93279370892836

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: -69.932794
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.812469725939442, total energy = -69.93279370892814

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: -69.932794
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.8124697282910347, total energy = -69.93279370892803

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: -69.932794
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.812469684751703, total energy = -69.93279370892806

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: -69.932794
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8124696901068034, total energy = -69.93279370892819

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: -69.932794
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.812469705380493, total energy = -69.93279370892834

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: -69.932794
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.812469699827485, total energy = -69.9327937089281

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: -69.932794
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8124697264283895, total energy = -69.93279370892839

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: -69.932794
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.8124697483144745, total energy = -69.93279370892796

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: -69.932794
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.812469700124337, total energy = -69.93279370892822

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: -69.932794
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.8124697246821517, total energy = -69.93279370892819

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: -69.932794
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.8124697193503345, total energy = -69.93279370892813

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: -69.932794
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.8124697113526054, total energy = -69.93279370892836

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: -69.932794
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.8124697241932193, total energy = -69.93279370892837

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: -69.932794
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.8124697095248736, total energy = -69.93279370892829

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: -69.932794
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.812469681934445, total energy = -69.93279370892819

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: -69.932794
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.8124697043560403, total energy = -69.9327937089283

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: -69.932794
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.812469722033711, total energy = -69.93279370892809

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: -69.932794
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.8124696872197132, total energy = -69.9327937089282

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: -69.932794
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.81246968465856, total energy = -69.93279370892823

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: -69.932794
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.8124697209801446, total energy = -69.93279370892827

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: -69.932794
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.812469709012653, total energy = -69.93279370892823

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: -69.932794
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.8124696675367886, total energy = -69.9327937089281

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: -69.932794
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.812469686567787, total energy = -69.93279370892826

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: -69.932794
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.8124697241932024, total energy = -69.93279370892832

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: -69.932794
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.812469702120861, total energy = -69.93279370892833

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: -69.932794
         Iterations: 43
         Function evaluations: 90
Results for this minimization:
  a = 3.8124697289196736, total energy = -69.93279370892807

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: -69.932794
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.8124697217717767, total energy = -69.93279370892834

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: -69.932794
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.812469695135955, total energy = -69.9327937089284

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: -69.932794
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.8124697174935007, total energy = -69.93279370892816

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: -69.932794
         Iterations: 43
         Function evaluations: 92
Results for this minimization:
  a = 3.812469680141649, total energy = -69.93279370892826

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: -69.932794
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.812469685199899, total energy = -69.93279370892799

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: -69.932794
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.8124696989543736, total energy = -69.93279370892837

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: -69.932794
         Iterations: 43
         Function evaluations: 93
Results for this minimization:
  a = 3.8124697053572216, total energy = -69.93279370892841

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: -69.932794
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.8124697129343836, total energy = -69.93279370892859

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: -69.932794
         Iterations: 42
         Function evaluations: 87
Results for this minimization:
  a = 3.812469731876617, total energy = -69.93279370892813

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

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 43
         Function evaluations: 91
Results for this minimization:
  a = 3.812469732073073, total energy = -69.93279370892812

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

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.812469730968587, total energy = -69.93279370892823

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

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.8124697118066297, total energy = -69.93279370892854

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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 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 13.969299993515014 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3625000000000256 Angstroms and c = -2.224953183028095 Angstroms; the model cutoff was estimated to be 13.969299993515014 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.375 Angstroms and c = -2.2453655975512468 Angstroms; the model cutoff was estimated to be 13.969299993515014 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 13.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.3875000000000313 Angstroms and c = -2.265778012074491 Angstroms; the model cutoff was estimated to be 13.969299993515014 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 14.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -1.4000000000000057 Angstroms and c = -2.286190426597642 Angstroms; the model cutoff was estimated to be 13.969299993515014 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 = [3.81246973] Angstroms and c = 4.980589594430789 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 3.8124443347113464, c = 6.22581977843357, total energy = -69.93279382939922

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246973] Angstroms and c = 5.291876444082714 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 75
         Function evaluations: 163
Results for this minimization:
  a = 3.812444342633102, c = 6.225819844708199, total energy = -69.93279382939897

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246973] Angstroms and c = 5.603163293734639 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.8124443768927376, c = 6.225819722096964, total energy = -69.93279382939907

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246973] Angstroms and c = 5.9144501433865635 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 3.8124443099502887, c = 6.225819792270548, total energy = -69.93279382939897

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246973] Angstroms and c = 6.225736993038488 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 3.812444369564851, c = 6.225819795328491, total energy = -69.93279382939909

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246973] Angstroms and c = 6.537023842690413 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 3.8124443852771748, c = 6.22581975855525, total energy = -69.93279382939906

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246973] Angstroms and c = 6.848310692342338 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 3.812444350333819, c = 6.2258197166314275, total energy = -69.93279382939923

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246973] Angstroms and c = 7.159597541994263 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 3.8124443486558137, c = 6.225819790628392, total energy = -69.93279382939909

Attempting to perform relaxation using initial lattice constant guess of a = [3.81246973] Angstroms and c = 7.470884391646187 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -69.932794
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 3.8124443395359693, c = 6.2258197858651645, total energy = -69.93279382939922

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

 Final lattice Constants:
   a = 3.812444350333819 Angstroms, c = 6.2258197166314275 Angstroms, c/a = 1.633026

 Total energy: -69.93279382939923 eV

 Cohesive energy: -17.483198457349808 eV/atom

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