Element = Lattice = Model = Element: Ga
Lattice: hcp
Model: Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_002
Computed model cutoff of 3.0999999926239443 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ga

==============================================================================
==============================================================================
 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: -10.763762
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.8747814010828776, total energy = -10.763761869275495

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: -10.763762
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8747813929920083, total energy = -10.763761869275493

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: -10.763762
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8747813957743347, total energy = -10.763761869275495

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: -10.763762
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8747813850641313, total energy = -10.763761869275493

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: -10.763762
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.8747813917696505, total energy = -10.763761869275497

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: -10.763762
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8747813929221606, total energy = -10.763761869275505

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: -10.763762
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.8747813872061663, total energy = -10.763761869275498

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: -10.763762
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.874781396938488, total energy = -10.763761869275497

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: -10.763762
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8747813872993015, total energy = -10.763761869275498

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: -10.763762
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8747813973575838, total energy = -10.763761869275495

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: -10.763762
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.87478138607694, total energy = -10.763761869275486

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: -10.763762
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.8747813949506957, total energy = -10.763761869275507

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: -10.763762
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.874781395192258, total energy = -10.7637618692755

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: -10.763762
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.874781385841197, total energy = -10.763761869275502

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: -10.763762
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.874781396333128, total energy = -10.763761869275502

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: -10.763762
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8747813917696474, total energy = -10.763761869275498

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: -10.763762
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.874781391769647, total energy = -10.763761869275497

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: -10.763762
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.87478139041923, total energy = -10.7637618692755

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: -10.763762
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.8747813952679273, total energy = -10.763761869275498

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 = [2.87478139] Angstroms and c = 3.7555986878270113 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 86
         Function evaluations: 179
Results for this minimization:
  a = 2.8499923020010214, c = 4.766709842561109, total energy = -10.779002813112921

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 3.9903236058161995 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 2.849992299940155, c = 4.766709850736323, total energy = -10.77900281311293

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 4.225048523805388 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.8499923027807, c = 4.766709849014157, total energy = -10.779002813112918

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 4.459773441794576 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.8499923117565062, c = 4.766709827615745, total energy = -10.77900281311291

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 4.694498359783764 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 77
         Function evaluations: 153
Results for this minimization:
  a = 2.849992324659263, c = 4.766709792960365, total energy = -10.779002813112912

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 4.929223277772952 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.8499923112620795, c = 4.7667098315636895, total energy = -10.77900281311292

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 5.16394819576214 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.8499923064861, c = 4.766709849273363, total energy = -10.779002813112925

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 5.398673113751329 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 96
         Function evaluations: 188
Results for this minimization:
  a = 2.849992310924301, c = 4.766709816121874, total energy = -10.77900281311292

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 5.633398031740517 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 96
         Function evaluations: 192
Results for this minimization:
  a = 2.8499923041658786, c = 4.766709841196871, total energy = -10.779002813112914

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

 Final lattice Constants:
   a = 2.849992299940155 Angstroms, c = 4.766709850736323 Angstroms, c/a = 1.672534

 Total energy: -10.77900281311293 eV

 Cohesive energy: -2.6947507032782325 eV/atom

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