Element = Lattice = Model = Element: Si
Lattice: hcp
Model: Tersoff_LAMMPS_PlummerTucker_2019_TiSiC__MO_751442731010_000
Computed model cutoff of 3.5499999907612896 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: -16.008287
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8262947501614724, total energy = -16.008286950936828

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: -16.008287
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.826294751418754, total energy = -16.008286950936828

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: -16.008287
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8262947499752045, total energy = -16.00828695093682

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: -16.008287
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8262947461567878, total energy = -16.008286950936828

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: -16.008287
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.826294744014743, total energy = -16.008286950936824

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: -16.008287
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8262947371229554, total energy = -16.00828695093682

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: -16.008287
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8262947440147403, total energy = -16.008286950936824

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: -16.008287
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.826294746249914, total energy = -16.008286950936824

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: -16.008287
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.826294738054277, total energy = -16.00828695093682

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: -16.008287
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.826294751366368, total energy = -16.00828695093682

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: -16.008287
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8262947359122346, total energy = -16.008286950936828

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: -16.008287
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.826294735586269, total energy = -16.008286950936824

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: -16.008287
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.826294746249914, total energy = -16.008286950936828

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: -16.008287
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.826294746948406, total energy = -16.008286950936824

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: -16.008287
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.826294736424461, total energy = -16.008286950936824

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: -16.008287
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.8262947348877785, total energy = -16.008286950936824

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: -16.008287
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.826294739544391, total energy = -16.008286950936824

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: -16.008287
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8262947499752045, total energy = -16.00828695093682

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: -16.008287
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8262947431765495, total energy = -16.008286950936828

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: -16.008287
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8262947421986606, total energy = -16.008286950936828

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: -16.008287
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.826294743362813, total energy = -16.008286950936828

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: -16.008287
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.826294740373849, total energy = -16.008286950936828

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.82629475] Angstroms and c = 3.6922560003213185 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.013019
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.8146378864155093, c = 4.65342268316545, total energy = -16.013018500228142

Attempting to perform relaxation using initial lattice constant guess of a = [2.82629475] Angstroms and c = 3.923022000341401 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.013019
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.8146378929130145, c = 4.653422663149753, total energy = -16.013018500228146

Attempting to perform relaxation using initial lattice constant guess of a = [2.82629475] Angstroms and c = 4.153788000361484 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.013019
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.8146378719915655, c = 4.653422710796263, total energy = -16.013018500228142

Attempting to perform relaxation using initial lattice constant guess of a = [2.82629475] Angstroms and c = 4.384554000381566 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.013019
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.8146378681741364, c = 4.653422687319447, total energy = -16.013018500228142

Attempting to perform relaxation using initial lattice constant guess of a = [2.82629475] Angstroms and c = 4.615320000401649 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.013019
         Iterations: 62
         Function evaluations: 140
Results for this minimization:
  a = 2.8146378610336353, c = 4.653422741800808, total energy = -16.013018500228142

Attempting to perform relaxation using initial lattice constant guess of a = [2.82629475] Angstroms and c = 4.846086000421732 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.013019
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.814637885291341, c = 4.6534227171255, total energy = -16.01301850022815

Attempting to perform relaxation using initial lattice constant guess of a = [2.82629475] Angstroms and c = 5.076852000441814 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.013019
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.8146378766209867, c = 4.653422674518757, total energy = -16.013018500228142

Attempting to perform relaxation using initial lattice constant guess of a = [2.82629475] Angstroms and c = 5.307618000461897 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.013019
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.8146378869997943, c = 4.653422662025196, total energy = -16.013018500228146

Attempting to perform relaxation using initial lattice constant guess of a = [2.82629475] Angstroms and c = 5.5383840004819795 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.013019
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.8146378882815366, c = 4.6534227215326425, total energy = -16.013018500228142

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

 Final lattice Constants:
   a = 2.814637885291341 Angstroms, c = 4.6534227171255 Angstroms, c/a = 1.653294

 Total energy: -16.01301850022815 eV

 Cohesive energy: -4.003254625057037 eV/atom

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