Element = Lattice = Model = Element: Ti
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 Ti

==============================================================================
==============================================================================
 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: -18.063804
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9434838358312883, total energy = -18.063803956410712

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: -18.063804
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9434838534449224, total energy = -18.063803956410702

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: -18.063804
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.943483853712678, total energy = -18.063803956410702

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: -18.063804
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.943483817577369, total energy = -18.063803956410695

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: -18.063804
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.943483837693933, total energy = -18.06380395641071

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: -18.063804
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.943483819812538, total energy = -18.06380395641071

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: -18.063804
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9434838205575944, total energy = -18.063803956410702

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: -18.063804
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9434838440502062, total energy = -18.0638039564107

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: -18.063804
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.943483851850036, total energy = -18.063803956410702

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: -18.063804
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.943483845144512, total energy = -18.063803956410702

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: -18.063804
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9434838533401493, total energy = -18.063803956410705

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: -18.063804
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.9434838155284506, total energy = -18.0638039564107

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: -18.063804
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.943483851850033, total energy = -18.063803956410702

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: -18.063804
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9434838270768533, total energy = -18.06380395641071

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: -18.063804
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9434838175773628, total energy = -18.063803956410702

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: -18.063804
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9434838391840463, total energy = -18.063803956410705

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: -18.063804
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.9434838544577353, total energy = -18.06380395641071

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: -18.063804
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.943483851850033, total energy = -18.063803956410705

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: -18.063804
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.943483837973327, total energy = -18.063803956410702

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: -18.063804
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.943483828194439, total energy = -18.063803956410712

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: -18.063804
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9434838207205747, total energy = -18.063803956410702

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: -18.063804
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.94348382912576, total energy = -18.063803956410705

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: -18.063804
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.943483844399452, total energy = -18.063803956410702

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: -18.063804
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9434838400222336, total energy = -18.063803956410705

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: -18.063804
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.94348385259509, total energy = -18.063803956410702

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: -18.063804
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.943483841780109, total energy = -18.06380395641071

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: -18.063804
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9434838459361328, total energy = -18.0638039564107

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: -18.063804
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.943483851850033, total energy = -18.063803956410702

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: -18.063804
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.943483836576339, total energy = -18.06380395641071

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: -18.063804
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9434838213026513, total energy = -18.063803956410705

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: -18.063804
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.943483834550717, total energy = -18.063803956410702

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: -18.063804
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9434838261688094, total energy = -18.063803956410712

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: -18.063804
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9434838369488716, total energy = -18.06380395641071

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: -18.063804
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.943483830289911, total energy = -18.06380395641071

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.94348384] Angstroms and c = 3.84535118075564 = ([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 = [2.94348384] Angstroms and c = 4.085685629552867 = ([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 = [2.94348384] Angstroms and c = 4.326020078350094 = ([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 = [2.94348384] Angstroms and c = 4.566354527147322 = ([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 = [2.94348384] Angstroms and c = 4.8066889759445495 = ([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 = [2.94348384] Angstroms and c = 5.047023424741776 = ([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 = [2.94348384] Angstroms and c = 5.287357873539003 = ([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 = [2.94348384] Angstroms and c = 5.527692322336231 = ([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 = [2.94348384] Angstroms and c = 5.768026771133458 = ([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 = [2.94348384] Angstroms, c = [4.80668898] Angstroms, c/a = 1.632993

 Total energy: -18.063803956410712 eV

 Cohesive energy: -4.515950989102678 eV/atom

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