Element = Lattice = Model = Element: Co
Lattice: hcp
Model: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
Computed model cutoff of 8.980260000452418 Angstroms
Computed isolated atomic energy of 0.0 eV for species Co

==============================================================================
==============================================================================
 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))

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4508702762424974, total energy = -42.55769708493615

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

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.450870257616043, total energy = -42.557697084936024

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

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.4508702754974365, total energy = -42.557697084936

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

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4508702654391565, total energy = -42.557697084935874

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: -42.557697
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4508702754974387, total energy = -42.557697084936024

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: -42.557697
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.450870263716207, total energy = -42.55769708493613

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: -42.557697
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4508702713996167, total energy = -42.557697084936066

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: -42.557697
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4508702754974365, total energy = -42.557697084935995

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: -42.557697
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.450870274752379, total energy = -42.55769708493607

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: -42.557697
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.45087027642876, total energy = -42.55769708493594

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: -42.557697
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4508702576160437, total energy = -42.55769708493603

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: -42.557697
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.4508702576160437, total energy = -42.55769708493603

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: -42.557697
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.4508702754974365, total energy = -42.557697084936

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: -42.557697
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.450870260968804, total energy = -42.55769708493592

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: -42.557697
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.4508702859282487, total energy = -42.557697084935846

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: -42.557697
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.4508702662307758, total energy = -42.55769708493604

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: -42.557697
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.4508702576160415, total energy = -42.557697084935995

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: -42.557697
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4508702754974365, total energy = -42.557697084935995

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: -42.557697
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4508702637162054, total energy = -42.55769708493615

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: -42.557697
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4508702622260885, total energy = -42.55769708493605

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: -42.557697
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4508702713996158, total energy = -42.557697084936066

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: -42.557697
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.450870270282027, total energy = -42.557697084936144

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: -42.557697
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4508702754974365, total energy = -42.55769708493601

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: -42.557697
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4508702707011207, total energy = -42.55769708493609

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: -42.557697
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4508702747523765, total energy = -42.557697084936045

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: -42.557697
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.450870263902471, total energy = -42.55769708493595

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: -42.557697
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4508702850376696, total energy = -42.557697084936024

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: -42.557697
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.450870256354392, total energy = -42.55769708493606

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: -42.557697
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.450870264321561, total energy = -42.55769708493603

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: -42.557697
         Iterations: 39
         Function evaluations: 80
Results for this minimization:
  a = 2.450870250386649, total energy = -42.55769708493602

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: -42.557697
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.450870257616045, total energy = -42.557697084935974

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: -42.557697
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.450870264775581, total energy = -42.557697084936045

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: -42.557697
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.450870282948017, total energy = -42.55769708493602

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: -42.557697
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.450870279013174, total energy = -42.5576970849359

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: -42.557697
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4508702609688022, total energy = -42.55769708493589

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: -42.557697
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.450870260558443, total energy = -42.55769708493604

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: -42.557697
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.450870285928245, total energy = -42.55769708493586

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: -42.557697
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.45087026222609, total energy = -42.55769708493606

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: -42.557697
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4508702662307704, total energy = -42.55769708493604

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: -42.557697
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.450870247581041, total energy = -42.55769708493587

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: -42.557697
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.45087027102708, total energy = -42.55769708493596

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: -42.557697
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.4508702568942637, total energy = -42.55769708493596

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: -42.557697
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.450870275206398, total energy = -42.557697084935974

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: -42.557697
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.450870273188045, total energy = -42.55769708493595

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: -42.557697
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4508702691644357, total energy = -42.557697084935974

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: -42.557697
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4508702747523694, total energy = -42.55769708493601

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: -42.557697
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4508702735416543, total energy = -42.557697084936116

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: -42.557697
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.4508702736347914, total energy = -42.557697084935974

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: -42.557697
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.450870271399615, total energy = -42.55769708493606

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: -42.557697
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.450870257533089, total energy = -42.557697084936024

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: -42.557697
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.45087027028202, total energy = -42.55769708493618

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 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 = 7.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7375000000000078 Angstroms and c = -1.2043324568684086 Angstroms; the model cutoff was estimated to be 8.980260000452418 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 = 7.5 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 = 7.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.75 Angstroms and c = -1.224744871391589 Angstroms; the model cutoff was estimated to be 8.980260000452418 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 = 7.625 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 = 7.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7624999999999922 Angstroms and c = -1.2451572859147695 Angstroms; the model cutoff was estimated to be 8.980260000452418 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 = 7.75 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 = 7.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7750000000000234 Angstroms and c = -1.2655697004380135 Angstroms; the model cutoff was estimated to be 8.980260000452418 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 = 7.875 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 = 7.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.7875000000000156 Angstroms and c = -1.285982114961194 Angstroms; the model cutoff was estimated to be 8.980260000452418 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.0 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 = 8.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8000000000000078 Angstroms and c = -1.3063945294843744 Angstroms; the model cutoff was estimated to be 8.980260000452418 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.125 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 = 8.125 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8125 Angstroms and c = -1.3268069440075547 Angstroms; the model cutoff was estimated to be 8.980260000452418 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.25 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 = 8.25 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8249999999999922 Angstroms and c = -1.3472193585307353 Angstroms; the model cutoff was estimated to be 8.980260000452418 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.375 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 = 8.375 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8375000000000234 Angstroms and c = -1.3676317730539793 Angstroms; the model cutoff was estimated to be 8.980260000452418 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.5 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 = 8.5 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8500000000000156 Angstroms and c = -1.3880441875771599 Angstroms; the model cutoff was estimated to be 8.980260000452418 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 8.625 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 = 8.625 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8625000000000078 Angstroms and c = -1.4084566021003402 Angstroms; the model cutoff was estimated to be 8.980260000452418 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.75 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.875 Angstroms and c = -1.4288690166235205 Angstroms; the model cutoff was estimated to be 8.980260000452418 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 8.875 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.8874999999999922 Angstroms and c = -1.449281431146701 Angstroms; the model cutoff was estimated to be 8.980260000452418 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 9.0 Angstroms
Exception message:
Attempted to evaluate energy at a = -0.9000000000000234 Angstroms and c = -1.469693845669945 Angstroms; the model cutoff was estimated to be 8.980260000452418 Angstroms.  This may mean that the model does not possess close-range repulsive forces to prevent system collapse.  In order to prevent possible neighbor list overflow, both a and c must be greater than 0.1 times the model cutoff...
Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.45087027] Angstroms and c = 3.20180351357229 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.450853957401916, c = 4.00230759738737, total energy = -42.55769715824878

Attempting to perform relaxation using initial lattice constant guess of a = [2.45087027] Angstroms and c = 3.401916233170558 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.4508539673124496, c = 4.002307548349157, total energy = -42.55769715824866

Attempting to perform relaxation using initial lattice constant guess of a = [2.45087027] Angstroms and c = 3.602028952768826 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.450853966035919, c = 4.002307637103026, total energy = -42.55769715824876

Attempting to perform relaxation using initial lattice constant guess of a = [2.45087027] Angstroms and c = 3.8021416723670938 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.4508539418475355, c = 4.002307582911486, total energy = -42.55769715824855

Attempting to perform relaxation using initial lattice constant guess of a = [2.45087027] Angstroms and c = 4.002254391965362 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.4508539482043328, c = 4.002307564701328, total energy = -42.557697158248644

Attempting to perform relaxation using initial lattice constant guess of a = [2.45087027] Angstroms and c = 4.20236711156363 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 78
         Function evaluations: 156
Results for this minimization:
  a = 2.4508539678785786, c = 4.002307604673459, total energy = -42.557697158248835

Attempting to perform relaxation using initial lattice constant guess of a = [2.45087027] Angstroms and c = 4.402479831161898 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.4508539933724522, c = 4.002307613855919, total energy = -42.55769715824867

Attempting to perform relaxation using initial lattice constant guess of a = [2.45087027] Angstroms and c = 4.602592550760166 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 2.450853956355913, c = 4.002307584580977, total energy = -42.55769715824861

Attempting to perform relaxation using initial lattice constant guess of a = [2.45087027] Angstroms and c = 4.802705270358434 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -42.557697
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 2.4508539630617276, c = 4.002307606471131, total energy = -42.55769715824867

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

 Final lattice Constants:
   a = 2.4508539678785786 Angstroms, c = 4.002307604673459 Angstroms, c/a = 1.633026

 Total energy: -42.557697158248835 eV

 Cohesive energy: -10.639424289562209 eV/atom

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