Element = Lattice = Model = Element: Pt
Lattice: hcp
Model: MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_002
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pt

==============================================================================
==============================================================================
 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: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7711560992524076, total energy = -22.987560187912777

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: -22.987560
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7711561083793637, total energy = -22.98756018791277

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: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.771156094968319, total energy = -22.98756018791277

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: -22.987560
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.7711560986936163, total energy = -22.987560187912777

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: -22.987560
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7711561083793663, total energy = -22.98756018791277

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: -22.987560
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.771156105771663, total energy = -22.98756018791277

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: -22.987560
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7711560957133767, total energy = -22.98756018791278

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: -22.987560
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7711560914758593, total energy = -22.987560187912777

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: -22.987560
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.77115609655157, total energy = -22.98756018791278

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: -22.987560
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.771156100183726, total energy = -22.98756018791278

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: -22.987560
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7711560949683194, total energy = -22.987560187912774

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: -22.987560
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7711561042815434, total energy = -22.987560187912774

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: -22.987560
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7711560977622867, total energy = -22.987560187912774

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: -22.987560
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.77115609832108, total energy = -22.98756018791277

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: -22.987560
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.771156102791428, total energy = -22.987560187912784

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: -22.987560
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7711560996249305, total energy = -22.98756018791278

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: -22.987560
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7711560992989677, total energy = -22.98756018791278

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: -22.987560
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.771156094968319, total energy = -22.987560187912774

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: -22.987560
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.7711560912430286, total energy = -22.987560187912766

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: -22.987560
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.771156100259395, total energy = -22.987560187912777

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: -22.987560
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.771156095713376, total energy = -22.987560187912777

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: -22.987560
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7711560931056725, total energy = -22.987560187912774

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: -22.987560
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7711560977622867, total energy = -22.987560187912774

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: -22.987560
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7711561074480384, total energy = -22.987560187912777

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: -22.987560
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.7711561005562535, total energy = -22.987560187912774

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: -22.987560
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.771156102023089, total energy = -22.987560187912774

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: -22.987560
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7711561001837226, total energy = -22.987560187912777

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: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.771156096365303, total energy = -22.987560187912774

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: -22.987560
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.771156098321076, total energy = -22.98756018791278

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: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.771156098879873, total energy = -22.98756018791278

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: -22.987560
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.77115610096371, total energy = -22.98756018791278

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: -22.987560
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7711561106145357, total energy = -22.987560187912774

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.7711561] Angstroms and c = 3.6202231730339256 = ([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 = 4.875 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 = [2.7711561] Angstroms and c = 3.846487121348546 = ([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 = 4.875 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 = [2.7711561] Angstroms and c = 4.072751069663166 = ([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 = 4.875 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 = [2.7711561] Angstroms and c = 4.299015017977787 = ([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 = 4.875 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 = [2.7711561] Angstroms and c = 4.525278966292408 = ([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 = 4.875 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 = [2.7711561] Angstroms and c = 4.751542914607028 = ([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 = 4.875 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 = [2.7711561] Angstroms and c = 4.977806862921648 = ([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 = 4.875 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 = [2.7711561] Angstroms and c = 5.204070811236269 = ([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 = 4.875 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 = [2.7711561] Angstroms and c = 5.43033475955089 = ([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 = 4.875 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 = [2.7711561] Angstroms, c = [4.52527897] Angstroms, c/a = 1.632993

 Total energy: -22.987560187912784 eV

 Cohesive energy: -5.746890046978196 eV/atom

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