Element = Lattice = Model = Element: Ga
Lattice: hcp
Model: Sim_LAMMPS_Polymorphic_BereSerra_2006_GaN__SM_518345582208_000
Computed model cutoff of 3.3049898771941812 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: -5.748031
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.636839628219608, total energy = -5.74803099915176

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: -5.748031
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.636839620396494, total energy = -5.748030999151761

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: -5.748031
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.636839622631669, total energy = -5.748030999151762

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: -5.748031
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.6368396238423943, total energy = -5.748030999167041

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: -5.748031
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.6368396235397116, total energy = -5.7480309991670335

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: -5.748031
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.636839620582762, total energy = -5.748030999151761

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: -5.748031
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.6368396192789088, total energy = -5.748030999151761

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: -5.748031
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.636839619051898, total energy = -5.748030999151762

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: -5.748031
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.6368396204896283, total energy = -5.748030999151761

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: -5.748031
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.636839623469861, total energy = -5.748030999151763

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: -5.748031
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.636839623749256, total energy = -5.74803099915176

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: -5.748031
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.636839635670186, total energy = -5.748030999151736

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: -5.748031
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.6368396254256368, total energy = -5.74803099915176

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: -5.748031
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.636839623190463, total energy = -5.74803099915176

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: -5.748031
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.636839625122957, total energy = -5.74803099915176

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: -5.748031
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.6368396201170974, total energy = -5.74803099915176

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: -5.748031
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.6368396215140812, total energy = -5.748030999151761

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: -5.748031
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.6368396171892527, total energy = -5.74803099915176

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: -5.748031
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6368396254256363, total energy = -5.748030999151761

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: -5.748031
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.636839620553654, total energy = -5.748030999151762

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: -5.748031
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6368396225385355, total energy = -5.748030999151762

==============================================================================
==============================================================================
 Starting optimization with both a and c/a relaxed
==============================================================================
==============================================================================


Attempting to perform relaxation using initial lattice constant guess of a = [2.63683962] Angstroms and c = 3.4447528597153063 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 2.6368396193567287, c = 4.305941068526744, total energy = -5.748030999151762

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683962] Angstroms and c = 3.660049913447513 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 78
         Function evaluations: 165
Results for this minimization:
  a = 2.636839627950571, c = 4.305941043664118, total energy = -5.7480309991517595

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683962] Angstroms and c = 3.87534696717972 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 72
         Function evaluations: 161
Results for this minimization:
  a = 2.636839619573193, c = 4.305941105542574, total energy = -5.748030999151755

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683962] Angstroms and c = 4.090644020911927 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.6368396268927703, c = 4.3059410730915495, total energy = -5.748030999136483

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683962] Angstroms and c = 4.305941074644133 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 70
         Function evaluations: 144
Results for this minimization:
  a = 2.636839630890779, c = 4.305941054726086, total energy = -5.748030999136481

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683962] Angstroms and c = 4.52123812837634 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 70
         Function evaluations: 143
Results for this minimization:
  a = 2.636839622083148, c = 4.30594106059409, total energy = -5.748030999136484

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683962] Angstroms and c = 4.736535182108547 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.63683961262375, c = 4.305941092367005, total energy = -5.748030999136483

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683962] Angstroms and c = 4.951832235840754 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 72
         Function evaluations: 149
Results for this minimization:
  a = 2.6368396183817273, c = 4.305941092306355, total energy = -5.748030999136484

Attempting to perform relaxation using initial lattice constant guess of a = [2.63683962] Angstroms and c = 5.16712928957296 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -5.748031
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.636839614288735, c = 4.305941077792092, total energy = -5.748030999136485

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

 Final lattice Constants:
   a = [2.63683962] Angstroms, c = [4.30594107] Angstroms, c/a = 1.632993

 Total energy: -5.748030999167041 eV

 Cohesive energy: -1.4370077497917602 eV/atom

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