Element = Lattice = Model = Element: In
Lattice: hcp
Model: MEAM_LAMMPS_DoShinLee_2009_GaInN__MO_815057898706_002
Computed model cutoff of 3.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species In

==============================================================================
==============================================================================
 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: -10.010934
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.3295265913009695, total energy = -10.010933725637356

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: -10.010934
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.3295265893335437, total energy = -10.010933725637354

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: -10.010934
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.3295265985652804, total energy = -10.01093372563735

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: -10.010934
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.3295265913009726, total energy = -10.010933725637353

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: -10.010934
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.3295265872031496, total energy = -10.010933725637354

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: -10.010934
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.3295265845197743, total energy = -10.010933725637354

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: -10.010934
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.329526595957576, total energy = -10.010933725637354

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: -10.010934
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.3295265925116837, total energy = -10.010933725637353

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: -10.010934
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.3295265689492255, total energy = -10.010933725637353

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: -10.010934
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.3295265925233273, total energy = -10.010933725637356

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: -10.010934
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.329526582732797, total energy = -10.010933725637354

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: -10.010934
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.329526594467459, total energy = -10.010933725637353

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: -10.010934
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.329526595538482, total energy = -10.010933725637356

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: -10.010934
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.3295265860157106, total energy = -10.010933725637354

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: -10.010934
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.329526583105328, total energy = -10.010933725637353

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: -10.010934
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.329526584222914, total energy = -10.01093372563735

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: -10.010934
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.3295265947468593, total energy = -10.010933725637353

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: -10.010934
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.3295265957713127, total energy = -10.01093372563735

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: -10.010934
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.3295265930704767, total energy = -10.010933725637354

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: -10.010934
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.329526580008678, total energy = -10.010933725637353

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: -10.010934
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.329526592046022, total energy = -10.010933725637353

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: -10.010934
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.329526590555906, total energy = -10.010933725637353

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: -10.010934
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.3295265942579135, total energy = -10.010933725637354

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: -10.010934
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.329526596516369, total energy = -10.01093372563735

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: -10.010934
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.329526590928435, total energy = -10.010933725637354

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952659] Angstroms and c = 4.349675324648301 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952659] Angstroms and c = 4.6215300324388195 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952659] Angstroms and c = 4.8933847402293384 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952659] Angstroms and c = 5.165239448019857 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952659] Angstroms and c = 5.437094155810376 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952659] Angstroms and c = 5.708948863600895 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952659] Angstroms and c = 5.980803571391414 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952659] Angstroms and c = 6.252658279181933 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.32952659] Angstroms and c = 6.524512986972452 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 4.0 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [3.32952659] Angstroms, c = [5.43709416] Angstroms, c/a = 1.632993

 Total energy: -10.010933725637356 eV

 Cohesive energy: -2.502733431409339 eV/atom

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