Element = Lattice = Model = Element: V
Lattice: hcp
Model: EAM_Dynamo_MarescaCurtin_2020_NbTaV__MO_330233188199_001
Computed model cutoff of 6.395337776020204 Angstroms
Computed isolated atomic energy of 0.0 eV for species V

==============================================================================
==============================================================================
 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: -20.406772
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.695682266354563, total energy = -20.40677166406624

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: -20.406772
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.695682374387978, total energy = -20.406771664066305

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: -20.406772
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.6956822983920574, total energy = -20.406771664066266

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: -20.406772
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.695682306587703, total energy = -20.406771664066298

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: -20.406772
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.695682358741762, total energy = -20.406771664066248

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: -20.406772
         Iterations: 38
         Function evaluations: 85
Results for this minimization:
  a = 2.6956823920831106, total energy = -20.406771664066273

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: -20.406772
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.69568237438798, total energy = -20.406771664066284

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: -20.406772
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.6956822985666804, total energy = -20.40677166406629

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: -20.406772
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.695682266354563, total energy = -20.406771664066234

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: -20.406772
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.6956823587417613, total energy = -20.40677166406625

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: -20.406772
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.695682392828166, total energy = -20.406771664066234

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: -20.406772
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.6956823661923406, total energy = -20.406771664066248

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: -20.406772
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.6956822983920574, total energy = -20.40677166406626

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: -20.406772
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.695682374876924, total energy = -20.406771664066298

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: -20.406772
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.6956822817446664, total energy = -20.406771664066273

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: -20.406772
         Iterations: 34
         Function evaluations: 77
Results for this minimization:
  a = 2.695682332105935, total energy = -20.406771664066223

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: -20.406772
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 2.6956823587417587, total energy = -20.406771664066255

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: -20.406772
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.6956823945511132, total energy = -20.406771664066238

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: -20.406772
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.6956823922344486, total energy = -20.406771664066266

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: -20.406772
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.6956822761101638, total energy = -20.406771664066234

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: -20.406772
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.6956823743879776, total energy = -20.40677166406629

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: -20.406772
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.695682356040923, total energy = -20.40677166406626

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: -20.406772
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6956822985666804, total energy = -20.40677166406629

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: -20.406772
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.6956822817213797, total energy = -20.406771664066305

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: -20.406772
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.695682299137114, total energy = -20.406771664066273

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: -20.406772
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.695682372152806, total energy = -20.406771664066245

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: -20.406772
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.6956823587417578, total energy = -20.40677166406625

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: -20.406772
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.695682369172573, total energy = -20.40677166406626

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: -20.406772
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.6956822737003634, total energy = -20.406771664066245

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: -20.406772
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.6956823007028996, total energy = -20.406771664066284

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: -20.406772
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.6956823661923424, total energy = -20.40677166406626

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: -20.406772
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 2.6956823014304936, total energy = -20.406771664066326

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: -20.406772
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.6956822983920574, total energy = -20.406771664066262

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: -20.406772
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.695682317510358, total energy = -20.406771664066255

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.695682374876921, total energy = -20.40677166406629

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.6956822924621537, total energy = -20.406771664066213

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.6956822817446633, total energy = -20.406771664066277

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.695682301884517, total energy = -20.40677166406631

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.6956823321059296, total energy = -20.406771664066227

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.695682303092324, total energy = -20.406771664066284

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.6956823587417515, total energy = -20.40677166406625

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.6956822989071907, total energy = -20.40677166406628

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.69568239338696, total energy = -20.406771664066238

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.6956823599291946, total energy = -20.406771664066255

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -20.406772
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.6956823363900124, total energy = -20.406771664066234

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.6956823] Angstroms and c = 3.5216246118166112 = ([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 = 6.5 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 = [2.6956823] Angstroms and c = 3.7417261500551495 = ([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 = 6.5 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 = [2.6956823] Angstroms and c = 3.961827688293688 = ([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 = 6.5 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 = [2.6956823] Angstroms and c = 4.181929226532226 = ([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 = 6.5 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 = [2.6956823] Angstroms and c = 4.402030764770764 = ([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 = 6.5 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 = [2.6956823] Angstroms and c = 4.622132303009303 = ([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 = 6.5 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 = [2.6956823] Angstroms and c = 4.842233841247841 = ([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 = 6.5 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 = [2.6956823] Angstroms and c = 5.062335379486379 = ([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 = 6.5 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 = [2.6956823] Angstroms and c = 5.282436917724917 = ([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 = 6.5 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 = [2.6956823] Angstroms, c = [4.40203076] Angstroms, c/a = 1.632993

 Total energy: -20.406771664066326 eV

 Cohesive energy: -5.101692916016582 eV/atom

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