Element = Lattice = Model = Element: N
Lattice: hcp
Model: Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
Computed model cutoff of 2.305980940349436 Angstroms
Computed isolated atomic energy of 0.0 eV for species N

==============================================================================
==============================================================================
 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: -7.586582
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 1.86392505168915, total energy = -7.586582111202526

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: -7.586582
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 1.8639250706881287, total energy = -7.586582111248925

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: -7.586582
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 1.8639250686392188, total energy = -7.586582111248929

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: -7.586582
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 1.8639250680163988, total energy = -7.586582111225774

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: -7.586582
         Iterations: 34
         Function evaluations: 69
Results for this minimization:
  a = 1.8639250675449155, total energy = -7.5865821112257725

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: -7.586582
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 1.8639250678941615, total energy = -7.586582111225771

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: -7.586582
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 1.8639250698499377, total energy = -7.586582111225775

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: -7.586582
         Iterations: 42
         Function evaluations: 96
Results for this minimization:
  a = 1.863925072364509, total energy = -7.5865821112257645

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: -7.586582
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 1.8639250699430698, total energy = -7.586582111202617

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: -7.586582
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 1.8639250670326872, total energy = -7.586582111202617

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: -7.586582
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 1.8639250690117473, total energy = -7.5865821112026195

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: -7.586582
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 1.8639250699605325, total energy = -7.586582111202617

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.5, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.625, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.75, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 2.875, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.0, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.125, total energy = 0.0

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 = [1.86392507] Angstroms and c = 2.435021513039039 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.086829
         Iterations: 80
         Function evaluations: 162
Results for this minimization:
  a = 2.3477739485632156, c = 2.0493956240991866, total energy = -8.086828593295255

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 2.587210357603979 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 79
         Function evaluations: 159
Results for this minimization:
  a = 1.8639250709598285, c = 3.0437768896261503, total energy = -7.58658211120262

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 2.739399202168919 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 71
         Function evaluations: 146
Results for this minimization:
  a = 1.8639250670198382, c = 3.0437769056670043, total energy = -7.586582111202618

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 2.891588046733859 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 1.863925071525997, c = 3.0437768931623053, total energy = -7.586582111202618

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 3.043776891298799 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 62
         Function evaluations: 136
Results for this minimization:
  a = 1.863925065822844, c = 3.0437768959039704, total energy = -7.586582111202618

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 3.195965735863739 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 1.8639250721811185, c = 3.0437768724132446, total energy = -7.586582111202617

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 3.348154580428679 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 75
         Function evaluations: 149
Results for this minimization:
  a = 1.8639250686259146, c = 3.043776894337901, total energy = -7.58658211120262

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 3.500343424993619 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 78
         Function evaluations: 156
Results for this minimization:
  a = 1.8639250546085018, c = 3.043776932351757, total energy = -7.586582111202613

Attempting to perform relaxation using initial lattice constant guess of a = [1.86392507] Angstroms and c = 3.652532269558559 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -7.586582
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 1.8639250710390227, c = 3.0437768925307456, total energy = -7.586582111202619