Element = Lattice = Model = Element: Ga
Lattice: hcp
Model: MEAM_LAMMPS_DoShinLee_2009_GaInN__MO_815057898706_001
Computed model cutoff of 3.999999990463257 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: -11.651978
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.002294707112018, total energy = -11.651977747885324

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: -11.651978
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.0022946756333106, total energy = -11.651977747885326

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: -11.651978
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.0022946905810386, total energy = -11.651977747885331

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: -11.651978
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.002294683828957, total energy = -11.651977747885326

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: -11.651978
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0022946831770274, total energy = -11.651977747885327

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: -11.651978
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.0022946927929315, total energy = -11.65197774788533

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: -11.651978
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.0022946991026402, total energy = -11.651977747885331

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: -11.651978
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.0022947024554014, total energy = -11.651977747885331

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: -11.651978
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.002294707298281, total energy = -11.651977747885324

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: -11.651978
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.0022946953773504, total energy = -11.651977747885326

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: -11.651978
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.002294697426259, total energy = -11.651977747885327

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: -11.651978
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.0022946841461806, total energy = -11.651977747885327

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: -11.651978
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0022946875542402, total energy = -11.651977747885327

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: -11.651978
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0022946981247527, total energy = -11.651977747885326

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: -11.651978
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.0022947042540182, total energy = -11.651977747885326

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: -11.651978
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.0022947010176733, total energy = -11.65197774788533

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: -11.651978
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.002294695749879, total energy = -11.651977747885327

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: -11.651978
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.0022947024554014, total energy = -11.651977747885327

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: -11.651978
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 3.002294695517049, total energy = -11.651977747885326

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: -11.651978
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.0022946994169613, total energy = -11.651977747885327

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: -11.651978
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 3.0022946939687247, total energy = -11.651977747885331

Attempting to perform relaxation using initial lattice constant guess of a = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -11.651978
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.0022946834564195, total energy = -11.651977747885324

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -11.651978
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.002294696867466, total energy = -11.651977747885326

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -11.651978
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.0022946956683843, total energy = -11.651977747885327

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -11.651978
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.0022946864366515, total energy = -11.651977747885327

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.00229469] Angstroms and c = 3.9221813596750135 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.671170
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.126387015139561, c = 4.542076415125713, total energy = -11.671169617697332

Attempting to perform relaxation using initial lattice constant guess of a = [3.00229469] Angstroms and c = 4.1673176946547015 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.671170
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 3.1263870280585753, c = 4.542076374963555, total energy = -11.671169617697332

Attempting to perform relaxation using initial lattice constant guess of a = [3.00229469] Angstroms and c = 4.4124540296343895 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.671170
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.1263870228690074, c = 4.542076386089576, total energy = -11.67116961769733

Attempting to perform relaxation using initial lattice constant guess of a = [3.00229469] Angstroms and c = 4.6575903646140775 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.671170
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 3.126387005522124, c = 4.5420764554080275, total energy = -11.671169617697329

Attempting to perform relaxation using initial lattice constant guess of a = [3.00229469] Angstroms and c = 4.9027266995937655 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.671170
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 3.1263870001540957, c = 4.542076455505629, total energy = -11.671169617697332

Attempting to perform relaxation using initial lattice constant guess of a = [3.00229469] Angstroms and c = 5.1478630345734535 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.671170
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 3.1263869876643517, c = 4.542076482845486, total energy = -11.671169617697329

Attempting to perform relaxation using initial lattice constant guess of a = [3.00229469] Angstroms and c = 5.3929993695531415 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.671170
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 3.1263870336595403, c = 4.542076369709248, total energy = -11.671169617697329

Attempting to perform relaxation using initial lattice constant guess of a = [3.00229469] Angstroms and c = 5.6381357045328295 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.671170
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 3.1263870211159417, c = 4.542076348497578, total energy = -11.671169617697329

Attempting to perform relaxation using initial lattice constant guess of a = [3.00229469] Angstroms and c = 5.8832720395125175 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -11.671170
         Iterations: 76
         Function evaluations: 164
Results for this minimization:
  a = 3.126387014181588, c = 4.542076455886561, total energy = -11.67116961769733

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

 Final lattice Constants:
   a = 3.126387015139561 Angstroms, c = 4.542076415125713 Angstroms, c/a = 1.452820

 Total energy: -11.671169617697332 eV

 Cohesive energy: -2.917792404424333 eV/atom

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