Element = Lattice = Model = Element: C
Lattice: hcp
Model: Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
Computed model cutoff of 2.499998384155365 Angstroms
Computed isolated atomic energy of 0.0 eV for species C

==============================================================================
==============================================================================
 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: -15.183096
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.2812024323269755, total energy = -15.18309552834319

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: -15.183096
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.281202432303688, total energy = -15.183095528343188

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: -15.183096
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.2812024322338402, total energy = -15.183095528343184

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: -15.183096
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.2812024287879504, total energy = -15.183095528343184

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: -15.183096
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.281202432233842, total energy = -15.183095528343188

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: -15.183096
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.2812024305399987, total energy = -15.183095528343188

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: -15.183096
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.281202427460812, total energy = -15.183095528343184

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: -15.183096
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.2812024322338402, total energy = -15.183095528343198

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: -15.183096
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.2812024343758828, total energy = -15.183095528343182

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: -15.183096
         Iterations: 32
         Function evaluations: 65
Results for this minimization:
  a = 2.281202430301346, total energy = -15.183095528343188

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: -15.183096
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.2812024309416294, total energy = -15.183095528343186

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: -15.183096
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.2812024321407076, total energy = -15.183095528343191

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 94
Results for this minimization:
  a = 2.625, total energy = 0.0

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: -15.183096
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.2812024286016825, total energy = -15.183095528343188

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.375, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 2.980150378116709 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.576365
         Iterations: 79
         Function evaluations: 161
Results for this minimization:
  a = 2.4992620488747823, c = 2.493916864840748, total energy = -20.576365259595512

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 3.1664097767490036 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.576365
         Iterations: 84
         Function evaluations: 174
Results for this minimization:
  a = 2.499262051938571, c = 2.493916866970959, total energy = -20.576365259595505

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 3.352669175381298 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.576365
         Iterations: 86
         Function evaluations: 169
Results for this minimization:
  a = 2.499262049070703, c = 2.4939168694840843, total energy = -20.57636525959552

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 3.5389285740135925 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.576365
         Iterations: 91
         Function evaluations: 182
Results for this minimization:
  a = 2.4992620523082287, c = 2.493916873058608, total energy = -20.57636525959551

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 3.725187972645887 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.152874
         Iterations: 90
         Function evaluations: 199
Results for this minimization:
  a = 1.9011265423165322, c = 4.540258700614807, total energy = -19.15287390544575

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 3.9114473712781814 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.152874
         Iterations: 85
         Function evaluations: 192
Results for this minimization:
  a = 1.9011265406319926, c = 4.674316536713199, total energy = -19.152873905445745

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 4.097706769910475 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.152874
         Iterations: 82
         Function evaluations: 190
Results for this minimization:
  a = 1.9011265416665732, c = 4.7069056976578185, total energy = -19.15287390544574

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 4.28396616854277 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.152874
         Iterations: 86
         Function evaluations: 193
Results for this minimization:
  a = 1.9011265500270174, c = 4.694133627796574, total energy = -19.152873905445738

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 4.470225567175065 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.152874
         Iterations: 90
         Function evaluations: 218
Results for this minimization:
  a = 1.9011265443719003, c = 4.86794199969545, total energy = -19.152873905445738

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

 Final lattice Constants:
   a = 2.499262049070703 Angstroms, c = 2.4939168694840843 Angstroms, c/a = 0.997861

 Total energy: -20.57636525959552 eV

 Cohesive energy: -5.14409131489888 eV/atom

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