Element = Lattice = Model = Element: C
Lattice: hcp
Model: Sim_LAMMPS_GW_GaoWeber_2002_SiC__SM_606253546840_000
Computed model cutoff of 2.4999999929592334 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: 79
Results for this minimization:
  a = 2.2812024280428913, total energy = -15.18309574733644

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: 79
Results for this minimization:
  a = 2.281202426645903, total energy = -15.18309574733644

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.2812024240847677, total energy = -15.183095747336436

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 = 2.2812024266750126, total energy = -15.18309574733644

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.2812024258077157, total energy = -15.18309574733644

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.281202428042891, total energy = -15.183095747336438

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: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.2812024272978304, total energy = -15.183095747336438

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.281202426645905, total energy = -15.183095747336436

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 = 2.281202425435186, total energy = -15.183095747336438

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: 31
         Function evaluations: 64
Results for this minimization:
  a = 2.281202429905534, total energy = -15.183095747336429

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: 71
Results for this minimization:
  a = 2.281202425807714, total energy = -15.183095747336438

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.2812024250073586, total energy = -15.183095747336429

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: -15.183096
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.2812024253653362, total energy = -15.183095747336434

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.2812024237122386, total energy = -15.18309574733644

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 = 2.9801503726416767 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.576418
         Iterations: 83
         Function evaluations: 168
Results for this minimization:
  a = 2.499261634580919, c = 2.493916014600072, total energy = -20.576417929913216

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 3.1664097709317813 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.576418
         Iterations: 82
         Function evaluations: 166
Results for this minimization:
  a = 2.4992616343133953, c = 2.493916017839094, total energy = -20.576417929913216

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 3.352669169221886 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.576418
         Iterations: 82
         Function evaluations: 165
Results for this minimization:
  a = 2.499261633246226, c = 2.493916015701034, total energy = -20.576417929913216

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 3.5389285675119906 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.576418
         Iterations: 90
         Function evaluations: 182
Results for this minimization:
  a = 2.4992616359865725, c = 2.4939160169952297, total energy = -20.57641792991322

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 3.725187965802095 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.152929
         Iterations: 82
         Function evaluations: 184
Results for this minimization:
  a = 1.901116892712391, c = 4.546021472057491, total energy = -19.152929166378254

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 3.9114473640922 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.152929
         Iterations: 86
         Function evaluations: 187
Results for this minimization:
  a = 1.9011169031414603, c = 4.699952323370076, total energy = -19.15292916637825

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 4.0977067623823045 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.152929
         Iterations: 84
         Function evaluations: 198
Results for this minimization:
  a = 1.9011169058103452, c = 4.717844720917309, total energy = -19.15292916637825

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 4.283966160672409 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.152929
         Iterations: 95
         Function evaluations: 219
Results for this minimization:
  a = 1.9011168941610754, c = 4.928684164679776, total energy = -19.152929166378243

Attempting to perform relaxation using initial lattice constant guess of a = [2.28120243] Angstroms and c = 4.470225558962514 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.152929
         Iterations: 94
         Function evaluations: 228
Results for this minimization:
  a = 1.9011169086078739, c = 5.010265249918202, total energy = -19.152929166378247

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

 Final lattice Constants:
   a = 2.4992616359865725 Angstroms, c = 2.4939160169952297 Angstroms, c/a = 0.997861

 Total energy: -20.57641792991322 eV

 Cohesive energy: -5.144104482478305 eV/atom

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