Element = Lattice = Model = Element: Si
Lattice: hcp
Model: Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
Computed model cutoff of 2.9999999593943567 Angstroms
Computed isolated atomic energy of 0.0 eV for species Si

==============================================================================
==============================================================================
 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: -15.470794
         Iterations: 38
         Function evaluations: 77
Results for this minimization:
  a = 2.7559370767325193, total energy = -15.470794097736992

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: -15.470794
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.755937079247087, total energy = -15.47079409773699

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: -15.470794
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.755937077337876, total energy = -15.470794097736972

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: -15.470794
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.755937080970039, total energy = -15.470794097736988

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: -15.470794
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.755937073379758, total energy = -15.470794097736878

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: -15.470794
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.7559370778501053, total energy = -15.47079409773686

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: -15.470794
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7559370761853645, total energy = -15.470794097736816

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: -15.470794
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.755937080451986, total energy = -15.470794097736775

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: -15.470794
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.755937080085279, total energy = -15.47079409773676

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: -15.470794
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.7559370784554633, total energy = -15.470794097736752

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: -15.470794
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.755937078408897, total energy = -15.470794097736738

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: -15.470794
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.755937084060861, total energy = -15.470794097736754

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: -15.470794
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7559370771050453, total energy = -15.47079409773674

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: -15.470794
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.7559370775707066, total energy = -15.47079409773677

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: -15.470794
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7559370773844423, total energy = -15.470794097736778

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: -15.470794
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7559370802715413, total energy = -15.470794097736807

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: 94
Results for this minimization:
  a = 3.1500000000000004, 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: -15.470794
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7559370815288275, total energy = -15.470794097736759

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 = [2.75593708] Angstroms and c = 3.600341120646487 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.243921
         Iterations: 79
         Function evaluations: 163
Results for this minimization:
  a = 3.5692959982610604, c = 2.9985960208005635, total energy = -17.243921365856714

Attempting to perform relaxation using initial lattice constant guess of a = [2.75593708] Angstroms and c = 3.8253624406868925 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.243921
         Iterations: 78
         Function evaluations: 163
Results for this minimization:
  a = 3.569295897122691, c = 2.998595995748143, total energy = -17.243921365856913

Attempting to perform relaxation using initial lattice constant guess of a = [2.75593708] Angstroms and c = 4.050383760727298 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.470794
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.7559337373367585, c = 4.5004373244614335, total energy = -15.470794098408206

Attempting to perform relaxation using initial lattice constant guess of a = [2.75593708] Angstroms and c = 4.275405080767704 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.470794
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.755933721832975, c = 4.500437444809897, total energy = -15.470794098408069

Attempting to perform relaxation using initial lattice constant guess of a = [2.75593708] Angstroms and c = 4.500426400808109 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.470794
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 2.7559337329220615, c = 4.500437347098721, total energy = -15.4707940984082

Attempting to perform relaxation using initial lattice constant guess of a = [2.75593708] Angstroms and c = 4.725447720848515 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.470794
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.7559337150064986, c = 4.500437437826466, total energy = -15.4707940984082

Attempting to perform relaxation using initial lattice constant guess of a = [2.75593708] Angstroms and c = 4.950469040888921 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.470794
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 2.755933706313313, c = 4.500437415089328, total energy = -15.470794098408106

Attempting to perform relaxation using initial lattice constant guess of a = [2.75593708] Angstroms and c = 5.175490360929326 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -15.470794
         Iterations: 160
         Function evaluations: 317
Results for this minimization:
  a = 2.755933729983031, c = 4.500437374809916, total energy = -15.470794098408064

Attempting to perform relaxation using initial lattice constant guess of a = [2.75593708] Angstroms and c = 5.400511680969732 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.633387
         Iterations: 85
         Function evaluations: 205
Results for this minimization:
  a = 2.639117525895128, c = 5.346207208010588, total energy = -13.633386781027294