Element = Lattice = Model = Element: Ga
Lattice: hcp
Model: Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_002
Computed model cutoff of 3.0200000027567353 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: -10.606903
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8091548249125515, total energy = -10.60690271247335

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: -10.606903
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.8091548266587782, total energy = -10.606902712473357

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: -10.606903
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8091548271477222, total energy = -10.606902712473335

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: -10.606903
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.809154824912554, total energy = -10.606902712473339

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: -10.606903
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8091548261698356, total energy = -10.606902712473333

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: -10.606903
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8091548260767047, total energy = -10.60690271247333

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: -10.606903
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8091548264957966, total energy = -10.606902712473344

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: -10.606903
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.809154830116313, total energy = -10.606902712473325

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: -10.606903
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.809154824167492, total energy = -10.606902712473328

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: -10.606903
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.809154825541193, total energy = -10.606902712473321

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: -10.606903
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8091548226773746, total energy = -10.606902712473332

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: -10.606903
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8091548227472227, total energy = -10.606902712473318

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: -10.606903
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8091548271477222, total energy = -10.606902712473325

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: -10.606903
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.8091548271477222, total energy = -10.606902712473333

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: -10.606903
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.8091548331081864, total energy = -10.606902712473325

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: -10.606903
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8091548221709663, total energy = -10.606902712473333

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: -10.606903
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8091548279859113, total energy = -10.606902712473335

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: -10.606903
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.809154827555176, total energy = -10.606902712473346

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.25, total energy = 0.0

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 = [2.80915483] Angstroms and c = 3.669864498021618 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.374662
         Iterations: 78
         Function evaluations: 165
Results for this minimization:
  a = 4.116505300427639, c = 2.665009069761263, total energy = -11.374661981919463

Attempting to perform relaxation using initial lattice constant guess of a = [2.80915483] Angstroms and c = 3.8992310291479693 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.621225
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 2.788199387875677, c = 4.650683708042043, total energy = -10.62122508845309

Attempting to perform relaxation using initial lattice constant guess of a = [2.80915483] Angstroms and c = 4.12859756027432 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.621225
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 2.7881993720386538, c = 4.650683734868131, total energy = -10.621225088453087

Attempting to perform relaxation using initial lattice constant guess of a = [2.80915483] Angstroms and c = 4.357964091400671 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.621225
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.7881993650734893, c = 4.650683776117868, total energy = -10.621225088453095

Attempting to perform relaxation using initial lattice constant guess of a = [2.80915483] Angstroms and c = 4.5873306225270225 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.621225
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 2.7881993691357687, c = 4.650683754299407, total energy = -10.621225088453102

Attempting to perform relaxation using initial lattice constant guess of a = [2.80915483] Angstroms and c = 4.816697153653374 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.621225
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.788199372099144, c = 4.650683745094236, total energy = -10.621225088453096

Attempting to perform relaxation using initial lattice constant guess of a = [2.80915483] Angstroms and c = 5.046063684779725 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.621225
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 2.7881993730973904, c = 4.650683732454603, total energy = -10.62122508845309

Attempting to perform relaxation using initial lattice constant guess of a = [2.80915483] Angstroms and c = 5.275430215906075 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -9.275146
         Iterations: 99
         Function evaluations: 218
Results for this minimization:
  a = 2.6926610086499343, c = 6.5479646508779155, total energy = -9.275146264686352

Attempting to perform relaxation using initial lattice constant guess of a = [2.80915483] Angstroms and c = 5.504796747032427 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -10.621225
         Iterations: 144
         Function evaluations: 278
Results for this minimization:
  a = 2.7881993705361263, c = 4.650683748079305, total energy = -10.621225088453098