Element = Lattice = Model = Element: Sr
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 13.898000004291537 Angstroms
Computed isolated atomic energy of 0.0 eV for species Sr

==============================================================================
==============================================================================
 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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: -4.460747
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.7930270107463047, total energy = -4.460746721764782

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: -4.460747
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7930269986391107, total energy = -4.460746721764794

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: -4.460747
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.793027041107415, total energy = -4.460746721764794

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: -4.460747
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.793027024716139, total energy = -4.46074672176479

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: -4.460747
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.793027043528859, total energy = -4.46074672176479

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: -4.460747
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 3.7930270382086775, total energy = -4.460746721764787

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: -4.460747
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.793027033377438, total energy = -4.460746721764784

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: -4.460747
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7930270574986897, total energy = -4.460746721764785

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: -4.460747
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.7930270433425903, total energy = -4.46074672176478

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: -4.460747
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.793027042737233, total energy = -4.460746721764785

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: -4.460747
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.793026984715839, total energy = -4.460746721764782

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: -4.460747
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.7930270311073397, total energy = -4.460746721764795

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: -4.460747
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.793027010746301, total energy = -4.460746721764789

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: -4.460747
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.7930270249489695, total energy = -4.460746721764798

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: -4.460747
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.793026998639109, total energy = -4.460746721764793

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: -4.460747
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.793026992306114, total energy = -4.460746721764785

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: -4.460747
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.793027013645042, total energy = -4.460746721764791

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: -4.460747
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.793026987742632, total energy = -4.460746721764765

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: -4.460747
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.7930270257638767, total energy = -4.460746721764791

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: -4.460747
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.7930270152050083, total energy = -4.460746721764778

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: -4.460747
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.7930270435288542, total energy = -4.460746721764786

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: -4.460747
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.793027036450804, total energy = -4.460746721764787

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: -4.460747
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 3.7930270382086744, total energy = -4.460746721764785

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: -4.460747
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.793027030187659, total energy = -4.460746721764797

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: -4.460747
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.7930270333774363, total energy = -4.460746721764781

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: -4.460747
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.793027030063968, total energy = -4.460746721764794

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: -4.460747
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.7930270433425908, total energy = -4.460746721764784

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: -4.460747
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.793027012562378, total energy = -4.46074672176479

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: -4.460747
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.7930270433425903, total energy = -4.4607467217647825

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: -4.460747
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.7930270522832847, total energy = -4.460746721764784

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: -4.460747
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7930270427372292, total energy = -4.460746721764788

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: -4.460747
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.793027025091579, total energy = -4.460746721764801

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: -4.460747
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.7930269852280594, total energy = -4.460746721764776

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: -4.460747
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7930270259384997, total energy = -4.460746721764791

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: -4.460747
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.793027031107336, total energy = -4.460746721764801

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: -4.460747
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.793027036252896, total energy = -4.460746721764799

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: -4.460747
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.793027010606596, total energy = -4.46074672176479

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: -4.460747
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.793027022731255, total energy = -4.460746721764803

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: -4.460747
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.79302702145651, total energy = -4.46074672176479

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: -4.460747
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.793027024157343, total energy = -4.460746721764793

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: -4.460747
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.7930269986391036, total energy = -4.460746721764788

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: -4.460747
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.7930270341574155, total energy = -4.460746721764808

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: -4.460747
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7930269923061095, total energy = -4.46074672176478

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: -4.460747
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7930270403885515, total energy = -4.460746721764785

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: -4.460747
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.7930270411074147, total energy = -4.4607467217647985

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: -4.460747
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7930270192329725, total energy = -4.460746721764789

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: -4.460747
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.793027007323683, total energy = -4.460746721764782

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: -4.460747
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.793027005670589, total energy = -4.460746721764786

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: -4.460747
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.7930270254146308, total energy = -4.460746721764789

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: -4.460747
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7930270269513167, total energy = -4.460746721764788

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: -4.460747
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.7930270185432065, total energy = -4.460746721764789

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: -4.460747
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7930270241573383, total energy = -4.460746721764792

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: -4.460747
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.7930270433425863, total energy = -4.460746721764784

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: -4.460747
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7930269986391068, total energy = -4.460746721764787

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: -4.460747
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7930270364508076, total energy = -4.460746721764782

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: -4.460747
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.7930270389537206, total energy = -4.4607467217647985

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: -4.460747
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.7930270382086673, total energy = -4.460746721764778

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: -4.460747
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.7930270311073357, total energy = -4.460746721764805

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: -4.460747
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 3.793027001665905, total energy = -4.460746721764786

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: -4.460747
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.7930270016659096, total energy = -4.460746721764785

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: -4.460747
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.7930270323296873, total energy = -4.460746721764791

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: -4.460747
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.793027012928352, total energy = -4.460746721764786

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: -4.460747
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.793027032702227, total energy = -4.460746721764784

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: -4.460747
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.7930270173819736, total energy = -4.460746721764785

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: -4.460747
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.7930270433425943, total energy = -4.460746721764786

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: -4.460747
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.793027023933232, total energy = -4.4607467217648

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: -4.460747
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.793027012562371, total energy = -4.460746721764796

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: -4.460747
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.793027022387828, total energy = -4.460746721764795

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: -4.460747
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.7930270433425903, total energy = -4.460746721764786

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: -4.460747
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.7930270293960393, total energy = -4.460746721764782

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: -4.460747
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.793027052283274, total energy = -4.460746721764783

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: -4.460747
         Iterations: 42
         Function evaluations: 91
Results for this minimization:
  a = 3.79302702099957, total energy = -4.460746721764795

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: -4.460747
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.7930270339973458, total energy = -4.460746721764797

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: -4.460747
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.793026993284002, total energy = -4.460746721764779

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: -4.460747
         Iterations: 42
         Function evaluations: 90
Results for this minimization:
  a = 3.7930270250915825, total energy = -4.4607467217647985

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: -4.460747
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 3.7930270125143437, total energy = -4.460746721764787

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: -4.460747
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.7930269893258717, total energy = -4.460746721764774

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: -4.460747
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.7930270150769445, total energy = -4.460746721764789

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: -4.460747
         Iterations: 43
         Function evaluations: 94
Results for this minimization:
  a = 3.7930270107463, total energy = -4.460746721764787

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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 13.898000004291537 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 = [3.79302703] Angstroms and c = 4.955189767609541 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.460747
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.79300180827146, c = 6.194069665453381, total energy = -4.460746729449149

Attempting to perform relaxation using initial lattice constant guess of a = [3.79302703] Angstroms and c = 5.264889128085137 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.460747
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 3.793001806437256, c = 6.194069500437825, total energy = -4.460746729449174

Attempting to perform relaxation using initial lattice constant guess of a = [3.79302703] Angstroms and c = 5.5745884885607335 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.460747
         Iterations: 77
         Function evaluations: 157
Results for this minimization:
  a = 3.793001786533695, c = 6.194069582891714, total energy = -4.460746729449166

Attempting to perform relaxation using initial lattice constant guess of a = [3.79302703] Angstroms and c = 5.88428784903633 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.460747
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 3.7930018257887776, c = 6.194069592921222, total energy = -4.4607467294491725

Attempting to perform relaxation using initial lattice constant guess of a = [3.79302703] Angstroms and c = 6.193987209511926 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.460747
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 3.793001810014602, c = 6.194069474651554, total energy = -4.460746729449157

Attempting to perform relaxation using initial lattice constant guess of a = [3.79302703] Angstroms and c = 6.503686569987522 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.460747
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 3.7930017987314786, c = 6.19406952312033, total energy = -4.460746729449185

Attempting to perform relaxation using initial lattice constant guess of a = [3.79302703] Angstroms and c = 6.813385930463118 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.460747
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 3.7930017813846586, c = 6.194069565183331, total energy = -4.460746729449164

Attempting to perform relaxation using initial lattice constant guess of a = [3.79302703] Angstroms and c = 7.123085290938715 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.460747
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.7930017896955803, c = 6.194069541156718, total energy = -4.460746729449174

Attempting to perform relaxation using initial lattice constant guess of a = [3.79302703] Angstroms and c = 7.432784651414311 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.460747
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.7930017833817047, c = 6.194069633191159, total energy = -4.460746729449171

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

 Final lattice Constants:
   a = 3.7930017987314786 Angstroms, c = 6.19406952312033 Angstroms, c/a = 1.633026

 Total energy: -4.460746729449185 eV

 Cohesive energy: -1.1151866823622962 eV/atom

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