Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_SharifiWick_2025_FeMnNiTiCuCrCoAl__MO_675947402254_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: -19.474869
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9200017437338865, total energy = -19.474868970019354

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: -19.474869
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.920001743733882, total energy = -19.474868970019354

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: -19.474869
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.920001715887338, total energy = -19.47486897001935

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: -19.474869
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.920001727994538, total energy = -19.474868970019365

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: -19.474869
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.920001743733886, total energy = -19.474868970019344

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: -19.474869
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9200017437338843, total energy = -19.47486897001936

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: -19.474869
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.920001725340263, total energy = -19.474868970019347

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: -19.474869
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9200017261318862, total energy = -19.474868970019358

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: -19.474869
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9200017094612143, total energy = -19.47486897001935

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: -19.474869
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.920001729018987, total energy = -19.474868970019358

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: -19.474869
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.920001743733883, total energy = -19.474868970019358

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: -19.474869
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.920001715887337, total energy = -19.474868970019354

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: -19.474869
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.920001721009612, total energy = -19.474868970019347

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: -19.474869
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9200017230585225, total energy = -19.474868970019347

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: -19.474869
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.9200017228722577, total energy = -19.474868970019354

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: -19.474869
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9200017437106, total energy = -19.47486897001935

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: -19.474869
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.92000173954293, total energy = -19.474868970019365

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: -19.474869
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9200017219409347, total energy = -19.47486897001935

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: -19.474869
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9200017437338825, total energy = -19.474868970019344

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: -19.474869
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.920001743812462, total energy = -19.47486897001935

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: -19.474869
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9200017400085927, total energy = -19.474868970019347

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: -19.474869
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9200017419643687, total energy = -19.474868970019354

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: -19.474869
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.920001747086644, total energy = -19.474868970019344

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: -19.474869
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9200017191469634, total energy = -19.474868970019344

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: -19.474869
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9200017370283584, total energy = -19.47486897001935

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: -19.474869
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9200017191906236, total energy = -19.47486897001936

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: -19.474869
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.920001735154071, total energy = -19.474868970019354

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: -19.474869
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.920001719146967, total energy = -19.47486897001935

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: -19.474869
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9200017437338786, total energy = -19.474868970019347

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: -19.474869
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.9200017367955287, total energy = -19.474868970019365

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: -19.474869
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.9200017256196604, total energy = -19.47486897001935

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: -19.474869
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9200017437338803, total energy = -19.474868970019347

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: -19.474869
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9200017396360636, total energy = -19.474868970019347

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: -19.474869
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.920001721009607, total energy = -19.474868970019354

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.92000173] Angstroms and c = 3.814674283536948 = ([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 = [2.92000173] Angstroms and c = 4.053091426258007 = ([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 = [2.92000173] Angstroms and c = 4.291508568979066 = ([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 = [2.92000173] Angstroms and c = 4.529925711700125 = ([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 = [2.92000173] Angstroms and c = 4.768342854421184 = ([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 = [2.92000173] Angstroms and c = 5.006759997142243 = ([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 = [2.92000173] Angstroms and c = 5.245177139863302 = ([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 = [2.92000173] Angstroms and c = 5.483594282584361 = ([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 = [2.92000173] Angstroms and c = 5.72201142530542 = ([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 = [2.92000173] Angstroms, c = [4.76834285] Angstroms, c/a = 1.632993

 Total energy: -19.474868970019365 eV

 Cohesive energy: -4.868717242504841 eV/atom

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