Element = Lattice = Model = Element: Ga
Lattice: hcp
Model: Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_004
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: 78
Results for this minimization:
  a = 2.874781394004825, total energy = -10.763761869275495

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.87478139413288, total energy = -10.763761869275507

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.874781387206167, total energy = -10.76376186927549

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 = 2.8747813932714052, total energy = -10.763761869275513

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 = 2.874781405925753, total energy = -10.763761869275461

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: 72
Results for this minimization:
  a = 2.8747814005240806, total energy = -10.76376186927549

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8747813861817137, total energy = -10.763761869275491

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 = 2.8747813948953986, total energy = -10.763761869275495

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.874781387276016, total energy = -10.763761869275493

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: 74
Results for this minimization:
  a = 2.874781387980329, total energy = -10.763761869275498

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 = 2.8747813953086734, 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: 33
         Function evaluations: 68
Results for this minimization:
  a = 2.8747813927737296, total energy = -10.763761869275502

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: 69
Results for this minimization:
  a = 2.8747813938651228, total energy = -10.763761869275504

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 = -10.763761869275495

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.874781392922159, total energy = -10.76376186927552

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 = 3.755598685176942 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 79
         Function evaluations: 169
Results for this minimization:
  a = 2.849992327801585, c = 4.766709797756851, total energy = -10.779002813112912

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 3.9903236030005007 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.8499922989107467, c = 4.766709833664864, total energy = -10.779002813112914

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 4.22504852082406 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.8499923094735404, c = 4.766709837483543, total energy = -10.77900281311291

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 4.459773438647618 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.849992327598578, c = 4.766709791600949, total energy = -10.779002813112905

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 4.694498356471177 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.84999230725417, c = 4.766709849691422, total energy = -10.779002813112914

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 4.929223274294737 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.8499923081442216, c = 4.7667098544919995, total energy = -10.779002813112918

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 5.163948192118295 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.8499922832703577, c = 4.766709872830278, total energy = -10.779002813112907

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 5.3986731099418535 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.275146
         Iterations: 85
         Function evaluations: 196
Results for this minimization:
  a = 2.6926609919019624, c = 5.932221002493353, total energy = -9.27514626468634

Attempting to perform relaxation using initial lattice constant guess of a = [2.87478139] Angstroms and c = 5.633398027765413 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.275146
         Iterations: 80
         Function evaluations: 201
Results for this minimization:
  a = 2.6926610158837128, c = 6.793385539216813, total energy = -9.275146264686336

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

 Final lattice Constants:
   a = 2.8499923081442216 Angstroms, c = 4.7667098544919995 Angstroms, c/a = 1.672534

 Total energy: -10.779002813112918 eV

 Cohesive energy: -2.6947507032782294 eV/atom

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