Element = Lattice = Model = Element: Ga
Lattice: hcp
Model: Tersoff_LAMMPS_AlbeNordlundNord_2002_GaAs__MO_799020228312_003
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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8747813930735004, total energy = -10.763761869275504

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: 79
Results for this minimization:
  a = 2.8747813865542406, total energy = -10.763761869275495

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8747813934460282, total energy = -10.763761869275505

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.87478139549494, total energy = -10.7637618692755

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.874781396071195, total energy = -10.763761869275497

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: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.874781388696285, 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 = 2.8747813968308034, total energy = -10.763761869275505

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: 72
Results for this minimization:
  a = 2.874781391583383, total energy = -10.763761869275498

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.874781391647411, total energy = -10.763761869275505

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: 69
Results for this minimization:
  a = 2.8747813963331286, total energy = -10.763761869275532

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 = 2.8747813921043424, 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: 68
Results for this minimization:
  a = 2.874781391769647, total energy = -10.763761869275488

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8747813892550766, total energy = -10.763761869275498

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: 70
Results for this minimization:
  a = 2.874781391862779, 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 = [2.8747814] Angstroms and c = 3.755598689633014 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 78
         Function evaluations: 168
Results for this minimization:
  a = 2.8499923018502495, c = 4.766709845557812, total energy = -10.779002813112914

Attempting to perform relaxation using initial lattice constant guess of a = [2.8747814] Angstroms and c = 3.990323607735077 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.8499923072186246, c = 4.766709842551165, total energy = -10.779002813112918

Attempting to perform relaxation using initial lattice constant guess of a = [2.8747814] Angstroms and c = 4.22504852583714 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 2.8499922996439464, c = 4.766709846493908, total energy = -10.779002813112912

Attempting to perform relaxation using initial lattice constant guess of a = [2.8747814] Angstroms and c = 4.459773443939204 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.849992314281349, c = 4.766709818201715, total energy = -10.779002813112914

Attempting to perform relaxation using initial lattice constant guess of a = [2.8747814] Angstroms and c = 4.694498362041267 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.849992304876774, c = 4.7667098516335455, total energy = -10.779002813112912

Attempting to perform relaxation using initial lattice constant guess of a = [2.8747814] Angstroms and c = 4.929223280143329 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.8499923049679348, c = 4.7667098366526846, total energy = -10.779002813112921

Attempting to perform relaxation using initial lattice constant guess of a = [2.8747814] Angstroms and c = 5.163948198245393 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.779003
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 2.8499923218360674, c = 4.766709811961971, total energy = -10.779002813112918

Attempting to perform relaxation using initial lattice constant guess of a = [2.8747814] Angstroms and c = 5.398673116347457 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.275146
         Iterations: 77
         Function evaluations: 177
Results for this minimization:
  a = 2.69266099837329, c = 5.9316334217413145, total energy = -9.275146264686345

Attempting to perform relaxation using initial lattice constant guess of a = [2.8747814] Angstroms and c = 5.633398034449519 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.275146
         Iterations: 81
         Function evaluations: 215
Results for this minimization:
  a = 2.692661015924341, c = 5.684205012765952, total energy = -9.275146264686336

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

 Final lattice Constants:
   a = 2.8499923049679348 Angstroms, c = 4.7667098366526846 Angstroms, c/a = 1.672534

 Total energy: -10.779002813112921 eV

 Cohesive energy: -2.6947507032782303 eV/atom

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