Element = Lattice = Model = Element: V
Lattice: hcp
Model: MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_000
Computed model cutoff of 5.000000004544876 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: -20.263458
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.682241670787337, total energy = -20.263457735452594

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: -20.263458
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.6822416724637153, total energy = -20.2634577354526

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: -20.263458
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.6822416707873344, total energy = -20.263457735452594

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: -20.263458
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.682241662929306, total energy = -20.26345773545259

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: -20.263458
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.682241666736084, total energy = -20.263457735452597

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: -20.263458
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.6822416662413175, total energy = -20.263457735452594

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: -20.263458
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.682241685315966, total energy = -20.263457735452594

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: -20.263458
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.6822416707873344, total energy = -20.263457735452597

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: -20.263458
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.682241678237916, total energy = -20.263457735452594

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: -20.263458
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.6822416597977288, total energy = -20.26345773545259

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: -20.263458
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.6822416724637153, total energy = -20.263457735452594

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: -20.263458
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.6822416558861732, total energy = -20.26345773545259

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: -20.263458
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.6822416707873344, total energy = -20.263457735452594

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: -20.263458
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.682241660746513, total energy = -20.263457735452587

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: -20.263458
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.6822416619688743, total energy = -20.26345773545259

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: -20.263458
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.6822416758514014, total energy = -20.263457735452594

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: -20.263458
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.682241670647635, total energy = -20.263457735452597

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: -20.263458
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.6822416810318828, total energy = -20.263457735452587

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: -20.263458
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.682241676305421, total energy = -20.263457735452594

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: -20.263458
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.682241667434573, total energy = -20.263457735452587

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: -20.263458
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6822416698327265, total energy = -20.263457735452597

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: -20.263458
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.6822416699491423, total energy = -20.263457735452597

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: -20.263458
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.6822416721843183, total energy = -20.2634577354526

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: -20.263458
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.682241669340871, total energy = -20.263457735452604

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: -20.263458
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.6822416782379133, total energy = -20.26345773545259

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: -20.263458
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.6822416717652247, total energy = -20.263457735452594

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: -20.263458
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.6822416802810016, total energy = -20.263457735452594

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: -20.263458
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.6822416733775754, total energy = -20.263457735452594

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: -20.263458
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.682241670682556, total energy = -20.263457735452594

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: -20.263458
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.6822416668757776, total energy = -20.26345773545259

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: -20.263458
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.682241655886175, total energy = -20.263457735452587

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: -20.263458
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.6822416679060512, total energy = -20.263457735452594

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: -20.263458
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.6822416707873344, total energy = -20.263457735452587

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: -20.263458
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.682241664733733, total energy = -20.263457735452597

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.68224167] Angstroms and c = 3.504065843581916 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.264728
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.693513324616078, c = 4.343684009907668, total energy = -20.264728369375835

Attempting to perform relaxation using initial lattice constant guess of a = [2.68224167] Angstroms and c = 3.7230699588057856 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.264728
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.6935133075929842, c = 4.343684027335278, total energy = -20.264728369375835

Attempting to perform relaxation using initial lattice constant guess of a = [2.68224167] Angstroms and c = 3.942074074029655 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.264728
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.69351330523884, c = 4.3436840113097315, total energy = -20.26472836937583

Attempting to perform relaxation using initial lattice constant guess of a = [2.68224167] Angstroms and c = 4.161078189253525 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.264728
         Iterations: 64
         Function evaluations: 141
Results for this minimization:
  a = 2.693513305659395, c = 4.343684025013507, total energy = -20.264728369375835

Attempting to perform relaxation using initial lattice constant guess of a = [2.68224167] Angstroms and c = 4.380082304477394 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.264728
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.693513330002557, c = 4.343683915242907, total energy = -20.264728369375817

Attempting to perform relaxation using initial lattice constant guess of a = [2.68224167] Angstroms and c = 4.599086419701264 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.264728
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.6935133316240893, c = 4.343683998006226, total energy = -20.264728369375835

Attempting to perform relaxation using initial lattice constant guess of a = [2.68224167] Angstroms and c = 4.818090534925133 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.264728
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.6935133154844886, c = 4.343684022286366, total energy = -20.264728369375838

Attempting to perform relaxation using initial lattice constant guess of a = [2.68224167] Angstroms and c = 5.037094650149003 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.264728
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.6935133287495425, c = 4.343684010975412, total energy = -20.264728369375838

Attempting to perform relaxation using initial lattice constant guess of a = [2.68224167] Angstroms and c = 5.256098765372872 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.264728
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.6935133035888548, c = 4.34368408036709, total energy = -20.26472836937583

==============================================================================
==============================================================================
 Finished with optimization
==============================================================================
==============================================================================

 Final lattice Constants:
   a = 2.6935133154844886 Angstroms, c = 4.343684022286366 Angstroms, c/a = 1.612646

 Total energy: -20.264728369375838 eV

 Cohesive energy: -5.0661820923439596 eV/atom

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