Element = Lattice = Model = Element: As
Lattice: hcp
Model: Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
Computed model cutoff of 3.5999999965727416 Angstroms
Computed isolated atomic energy of 0.0 eV for species As

==============================================================================
==============================================================================
 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: -9.896872
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9173054812476087, total energy = -9.896871987407419

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: -9.896872
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9173054933547964, total energy = -9.89687198740742

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: -9.896872
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9173054890707135, total energy = -9.896871987407419

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: -9.896872
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9173054886283425, total energy = -9.896871987407419

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: -9.896872
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.917305488605056, total energy = -9.896871987407419

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: -9.896872
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.917305503226818, total energy = -9.896871987407419

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: -9.896872
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.917305479198695, total energy = -9.896871987407417

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: -9.896872
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.91730549139902, total energy = -9.896871987407424

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: -9.896872
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9173054873943354, total energy = -9.89687198740742

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: -9.896872
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.917305492062589, total energy = -9.89687198740742

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: -9.896872
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.91730549838394, total energy = -9.896871987407419

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: -9.896872
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9173055035644193, total energy = -9.89687198740742

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: -9.896872
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.917305491748266, total energy = -9.89687198740742

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: -9.896872
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.9173054961487663, total energy = -9.89687198740742

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: -9.896872
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9173054724931724, total energy = -9.896871987407414

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: -9.896872
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9173054820450486, total energy = -9.896871987407415

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: -9.896872
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9173055045306686, total energy = -9.896871987407415

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: -9.896872
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9173054918646812, total energy = -9.896871987407426

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: -9.896872
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.9173054956598206, total energy = -9.89687198740742

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: -9.896872
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.91730548874475, total energy = -9.89687198740742

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: -9.896872
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.917305496148765, total energy = -9.89687198740742

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: -9.896872
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.91730548981577, total energy = -9.896871987407417

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.91730549] Angstroms and c = 3.8111519354067047 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.077354
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 3.249999601140992, c = 3.990822201048518, total energy = -10.077354392991355

Attempting to perform relaxation using initial lattice constant guess of a = [2.91730549] Angstroms and c = 4.049348931369623 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.077354
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 3.249999589086285, c = 3.9908222382830796, total energy = -10.077354392991355

Attempting to perform relaxation using initial lattice constant guess of a = [2.91730549] Angstroms and c = 4.287545927332542 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.077354
         Iterations: 71
         Function evaluations: 145
Results for this minimization:
  a = 3.2499996074366546, c = 3.9908222072611688, total energy = -10.077354392991353

Attempting to perform relaxation using initial lattice constant guess of a = [2.91730549] Angstroms and c = 4.525742923295461 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.077354
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 3.249999578534192, c = 3.9908222380990352, total energy = -10.07735439299135

Attempting to perform relaxation using initial lattice constant guess of a = [2.91730549] Angstroms and c = 4.763939919258379 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.077354
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 3.2499996141706733, c = 3.9908222457151568, total energy = -10.07735439299135

Attempting to perform relaxation using initial lattice constant guess of a = [2.91730549] Angstroms and c = 5.002136915221298 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.077354
         Iterations: 82
         Function evaluations: 175
Results for this minimization:
  a = 3.2499995934250894, c = 3.990822233158469, total energy = -10.077354392991356

Attempting to perform relaxation using initial lattice constant guess of a = [2.91730549] Angstroms and c = 5.240333911184217 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.077354
         Iterations: 90
         Function evaluations: 185
Results for this minimization:
  a = 3.249999606087612, c = 3.9908221995796427, total energy = -10.077354392991355

Attempting to perform relaxation using initial lattice constant guess of a = [2.91730549] Angstroms and c = 5.478530907147135 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.077354
         Iterations: 79
         Function evaluations: 168
Results for this minimization:
  a = 3.249999606937638, c = 3.990822231030899, total energy = -10.077354392991353

Attempting to perform relaxation using initial lattice constant guess of a = [2.91730549] Angstroms and c = 5.716727903110054 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.077354
         Iterations: 82
         Function evaluations: 170
Results for this minimization:
  a = 3.2499996040996573, c = 3.9908222248517067, total energy = -10.077354392991353

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

 Final lattice Constants:
   a = 3.2499995934250894 Angstroms, c = 3.990822233158469 Angstroms, c/a = 1.227945

 Total energy: -10.077354392991356 eV

 Cohesive energy: -2.519338598247839 eV/atom

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