Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_MurallesParkKim_NiTi__MO_182729415169_000
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ni

==============================================================================
==============================================================================
 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: -19.159987
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.489993947744372, total energy = -19.159986807079065

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: -19.159987
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4899939373135567, total energy = -19.159986807079058

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: -19.159987
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.489993951981887, total energy = -19.159986807079065

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: -19.159987
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4899939542170664, total energy = -19.15998680707906

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: -19.159987
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4899939596653002, total energy = -19.15998680707906

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: -19.159987
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4899939517490575, total energy = -19.15998680707906

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: -19.159987
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.489993958175183, total energy = -19.15998680707906

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: -19.159987
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4899939484894276, total energy = -19.159986807079058

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: -19.159987
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.48999394774437, total energy = -19.159986807079054

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: -19.159987
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4899939609109434, total energy = -19.15998680707907

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: -19.159987
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4899939510389233, total energy = -19.159986807079058

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: -19.159987
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.489993948768825, total energy = -19.159986807079065

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: -19.159987
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.489993952214718, total energy = -19.15998680707906

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: -19.159987
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4899939519818863, total energy = -19.15998680707907

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: -19.159987
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4899939506314688, total energy = -19.15998680707906

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: -19.159987
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4899939518421874, total energy = -19.159986807079058

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: -19.159987
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4899939394788797, total energy = -19.159986807079058

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: -19.159987
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.48999394942075, total energy = -19.159986807079058

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: -19.159987
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.489993953111115, total energy = -19.15998680707906

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: -19.159987
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4899939423426978, total energy = -19.159986807079058

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: -19.159987
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.489993958175182, total energy = -19.15998680707906

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: -19.159987
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4899939422029975, total energy = -19.15998680707906

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: -19.159987
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.4899939596652985, total energy = -19.159986807079058

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: -19.159987
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4899939544033227, total energy = -19.159986807079058

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: -19.159987
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4899939553812125, total energy = -19.159986807079058

Attempting to perform relaxation using initial lattice constant guess of a = 4.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.159987
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4899939390423262, total energy = -19.159986807079058

Attempting to perform relaxation using initial lattice constant guess of a = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.159987
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.4899939620983766, total energy = -19.159986807079054

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.159987
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.4899939536117017, total energy = -19.159986807079058

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.159987
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.489993960678107, total energy = -19.159986807079058

Attempting to perform relaxation using initial lattice constant guess of a = 4.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.159987
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.4899939472787063, total energy = -19.159986807079054

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.159987
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.4899939505383397, total energy = -19.159986807079058

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.159987
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4899939456954563, total energy = -19.159986807079058

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.159987
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4899939596652985, total energy = -19.15998680707905

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.159987
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.489993944152952, total energy = -19.159986807079058

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.48999396] Angstroms and c = 3.252914488983154 = ([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 = 5.125 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 = [2.48999396] Angstroms and c = 3.456221644544601 = ([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 = 5.125 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 = [2.48999396] Angstroms and c = 3.659528800106048 = ([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 = 5.125 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 = [2.48999396] Angstroms and c = 3.862835955667495 = ([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 = 5.125 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 = [2.48999396] Angstroms and c = 4.066143111228942 = ([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 = 5.125 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 = [2.48999396] Angstroms and c = 4.269450266790389 = ([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 = 5.125 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 = [2.48999396] Angstroms and c = 4.472757422351836 = ([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 = 5.125 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 = [2.48999396] Angstroms and c = 4.676064577913283 = ([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 = 5.125 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 = [2.48999396] Angstroms and c = 4.87937173347473 = ([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 = 5.125 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 = [2.48999396] Angstroms, c = [4.06614311] Angstroms, c/a = 1.632993

 Total energy: -19.15998680707907 eV

 Cohesive energy: -4.789996701769767 eV/atom

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