Element = Lattice = Model = Element: V
Lattice: hcp
Model: MEAM_LAMMPS_ShimLeeFleury_2011_VH__MO_072444764353_001
Computed model cutoff of 3.999999990463257 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: -20.933354
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7060007631778755, total energy = -20.933353655526545

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: -20.933354
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.706000758393202, total energy = -20.93335365552654

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: -20.933354
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.706000761128962, total energy = -20.93335365552655

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: -20.933354
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7060007611289683, total energy = -20.933353655526545

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: -20.933354
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7060007620602873, total energy = -20.933353655526535

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: -20.933354
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7060007692081864, total energy = -20.93335365552654

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: -20.933354
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.706000764004421, total energy = -20.93335365552654

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: -20.933354
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7060007445979863, total energy = -20.93335365552653

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: -20.933354
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.706000757217409, total energy = -20.93335365552654

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: -20.933354
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.706000749394299, total energy = -20.93335365552654

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: -20.933354
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7060007555643093, total energy = -20.933353655526542

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: -20.933354
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.706000762153417, total energy = -20.93335365552654

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: -20.933354
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.706000759731978, total energy = -20.933353655526542

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: -20.933354
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7060007626190776, total energy = -20.93335365552654

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: -20.933354
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.706000762153417, total energy = -20.933353655526535

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: -20.933354
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.706000766530633, total energy = -20.93335365552654

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: -20.933354
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.706000761222093, total energy = -20.933353655526545

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: -20.933354
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.706000744656194, total energy = -20.933353655526535

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: -20.933354
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7060007743537415, total energy = -20.933353655526535

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: -20.933354
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.706000757345463, total energy = -20.933353655526542

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: -20.933354
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7060007587075217, total energy = -20.93335365552654

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: -20.933354
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7060007656837097, total energy = -20.933353655526542

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: -20.933354
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.70600074599497, total energy = -20.933353655526535

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: -20.933354
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7060007597319755, total energy = -20.93335365552654

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: -20.933354
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7060007579624648, total energy = -20.933353655526535

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.70600076] Angstroms and c = 3.5351045911193952 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.720364184808496, c = 4.372573095950369, total energy = -20.934842570649682

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600076] Angstroms and c = 3.7560486280643572 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.720364170364033, c = 4.372573131389256, total energy = -20.93484257064968

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600076] Angstroms and c = 3.9769926650093192 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.7203641798480342, c = 4.372573135016734, total energy = -20.93484257064968

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600076] Angstroms and c = 4.197936701954282 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 2.7203641929677, c = 4.372573118526956, total energy = -20.934842570649682

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600076] Angstroms and c = 4.418880738899244 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.7203641856612153, c = 4.372573081483256, total energy = -20.93484257064968

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600076] Angstroms and c = 4.639824775844206 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.7203641904405162, c = 4.372573143909106, total energy = -20.93484257064968

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600076] Angstroms and c = 4.860768812789168 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.72036414784406, c = 4.372573181903263, total energy = -20.934842570649675

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600076] Angstroms and c = 5.08171284973413 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.72036413945923, c = 4.3725732080068145, total energy = -20.93484257064967

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600076] Angstroms and c = 5.302656886679092 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 69
         Function evaluations: 153
Results for this minimization:
  a = 2.720364162427275, c = 4.37257315623482, total energy = -20.934842570649682

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

 Final lattice Constants:
   a = 2.720364184808496 Angstroms, c = 4.372573095950369 Angstroms, c/a = 1.607348

 Total energy: -20.934842570649682 eV

 Cohesive energy: -5.2337106426624205 eV/atom

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