Element = Lattice = Model = Element: Al
Lattice: hcp
Model: Tersoff_LAMMPS_PlummerTucker_2019_TiAlC__MO_736419017411_000
Computed model cutoff of 4.041119994968218 Angstroms
Computed isolated atomic energy of 0.0 eV for species Al

==============================================================================
==============================================================================
 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: -13.394054
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.860806309990588, total energy = -13.394054116145085

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: -13.394054
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8608063228428358, total energy = -13.394054116145085

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: -13.394054
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.860806316602975, total energy = -13.394054116145089

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: -13.394054
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.860806335695095, total energy = -13.394054116145082

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: -13.394054
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8608063250780136, total energy = -13.394054116145089

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: -13.394054
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.860806303913707, total energy = -13.39405411614508

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: -13.394054
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.860806308686734, total energy = -13.394054116145085

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: -13.394054
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.860806324519217, total energy = -13.394054116145087

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: -13.394054
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.860806298255923, total energy = -13.394054116145085

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: -13.394054
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.860806320421398, total energy = -13.394054116145089

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: -13.394054
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.860806316137314, total energy = -13.394054116145087

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: -13.394054
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.860806319676338, total energy = -13.394054116145087

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: -13.394054
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8608063012361526, total energy = -13.394054116145085

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: -13.394054
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8608063218474853, total energy = -13.394054116145087

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: -13.394054
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.860806317254902, total energy = -13.394054116145085

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: -13.394054
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.860806316137314, total energy = -13.394054116145087

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: -13.394054
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8608063155785204, total energy = -13.394054116145085

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: -13.394054
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.860806313692592, total energy = -13.394054116145087

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: -13.394054
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.860806321469135, total energy = -13.394054116145087

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: -13.394054
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8608063044026486, total energy = -13.394054116145082

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: -13.394054
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.860806313902139, total energy = -13.394054116145085

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: -13.394054
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8608063021674734, total energy = -13.394054116145082

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: -13.394054
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.860806316137314, total energy = -13.394054116145089

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: -13.394054
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.860806330293415, total energy = -13.394054116145082

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: -13.394054
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.860806310549377, total energy = -13.394054116145087

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: -13.394054
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8608063157182193, total energy = -13.394054116145087

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86080632] Angstroms and c = 3.737341721924434 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.400913
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.8374823078982017, c = 4.748582058321357, total energy = -13.400913036787298

Attempting to perform relaxation using initial lattice constant guess of a = [2.86080632] Angstroms and c = 3.970925579544711 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.400913
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.8374823245012193, c = 4.748582034558028, total energy = -13.400913036787303

Attempting to perform relaxation using initial lattice constant guess of a = [2.86080632] Angstroms and c = 4.2045094371649885 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.400913
         Iterations: 67
         Function evaluations: 140
Results for this minimization:
  a = 2.8374823210567763, c = 4.748582083269868, total energy = -13.400913036787301

Attempting to perform relaxation using initial lattice constant guess of a = [2.86080632] Angstroms and c = 4.438093294785266 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.400913
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.8374823113538454, c = 4.748582076364864, total energy = -13.400913036787303

Attempting to perform relaxation using initial lattice constant guess of a = [2.86080632] Angstroms and c = 4.671677152405543 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.400913
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.8374823246753387, c = 4.74858209438289, total energy = -13.400913036787301

Attempting to perform relaxation using initial lattice constant guess of a = [2.86080632] Angstroms and c = 4.9052610100258205 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.400913
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.837482317602304, c = 4.748582063881129, total energy = -13.4009130367873

Attempting to perform relaxation using initial lattice constant guess of a = [2.86080632] Angstroms and c = 5.138844867646098 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.400913
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.8374823259861417, c = 4.748582053886755, total energy = -13.400913036787301

Attempting to perform relaxation using initial lattice constant guess of a = [2.86080632] Angstroms and c = 5.372428725266375 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.400913
         Iterations: 75
         Function evaluations: 165
Results for this minimization:
  a = 2.837482305131172, c = 4.748582064528545, total energy = -13.400913036787301

Attempting to perform relaxation using initial lattice constant guess of a = [2.86080632] Angstroms and c = 5.6060125828866525 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.400913
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.837482315174304, c = 4.748582076583393, total energy = -13.400913036787301

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

 Final lattice Constants:
   a = 2.8374823245012193 Angstroms, c = 4.748582034558028 Angstroms, c/a = 1.673520

 Total energy: -13.400913036787303 eV

 Cohesive energy: -3.3502282591968258 eV/atom

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