Element = Lattice = Model = Element: V
Lattice: hcp
Model: MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_001
Computed model cutoff of 4.5000000042096095 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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7060007693246044, total energy = -20.93335365422333

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: 85
Results for this minimization:
  a = 2.7060007654130462, total energy = -20.93335365422332

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: 80
Results for this minimization:
  a = 2.706000762991607, total energy = -20.933353654223325

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: 81
Results for this minimization:
  a = 2.706000758952001, total energy = -20.933353654223325

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: 81
Results for this minimization:
  a = 2.7060007810592674, total energy = -20.93335365422332

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: 80
Results for this minimization:
  a = 2.7060007669380877, total energy = -20.93335365422332

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7060007600113756, total energy = -20.933353654223318

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: 77
Results for this minimization:
  a = 2.7060007452964783, total energy = -20.93335365422332

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7060007512569446, total energy = -20.93335365422332

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7060007810592666, total energy = -20.933353654223314

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: 77
Results for this minimization:
  a = 2.7060007511638107, total energy = -20.93335365422332

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 = 2.7060007502092045, total energy = -20.933353654223314

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.7060007452964783, total energy = -20.933353654223314

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.706000756996218, total energy = -20.93335365422332

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 = 2.7060007631778715, total energy = -20.93335365422332

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: 71
Results for this minimization:
  a = 2.706000762246549, total energy = -20.933353654223325

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7060007609426964, total energy = -20.933353654223318

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.706000762991607, total energy = -20.93335365422332

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7060007643653075, total energy = -20.93335365422332

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.7060007562453388, total energy = -20.93335365422333

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 = 2.706000748602672, total energy = -20.93335365422331

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7060007547959666, total energy = -20.933353654223314

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: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.7060007452964783, total energy = -20.93335365422331

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: 77
Results for this minimization:
  a = 2.7060007452964756, total energy = -20.933353654223314

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.706000749766826, total energy = -20.93335365422332

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: -20.933354
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.7060007570311435, total energy = -20.93335365422332

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: -20.933354
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.706000771559773, total energy = -20.933353654223318

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: -20.933354
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.706000756181311, total energy = -20.93335365422332

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: -20.933354
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.706000752001996, total energy = -20.933353654223318

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: -20.933354
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7060007529798873, total energy = -20.933353654223325

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.70600077] Angstroms and c = 3.5351046018261374 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.7203642141229816, c = 4.372573028983101, total energy = -20.93484257091406

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600077] Angstroms and c = 3.756048639440271 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 2.7203642054162636, c = 4.3725730430881296, total energy = -20.934842570914068

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600077] Angstroms and c = 3.976992677054404 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.7203642133716106, c = 4.37257301472844, total energy = -20.93484257091406

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600077] Angstroms and c = 4.197936714668538 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.72036419471263, c = 4.372573068085233, total energy = -20.93484257091406

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600077] Angstroms and c = 4.418880752282671 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.7203642128748435, c = 4.3725730511924255, total energy = -20.934842570914068

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600077] Angstroms and c = 4.639824789896805 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 2.7203642411921196, c = 4.372572884822066, total energy = -20.93484257091405

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600077] Angstroms and c = 4.860768827510938 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.7203642311550578, c = 4.372572991615213, total energy = -20.93484257091406

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600077] Angstroms and c = 5.081712865125072 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.7203642042380984, c = 4.372573094893046, total energy = -20.934842570914064

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600077] Angstroms and c = 5.302656902739205 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 73
         Function evaluations: 159
Results for this minimization:
  a = 2.720364215855344, c = 4.372572993636027, total energy = -20.934842570914064

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

 Final lattice Constants:
   a = 2.7203642054162636 Angstroms, c = 4.3725730430881296 Angstroms, c/a = 1.607348

 Total energy: -20.934842570914068 eV

 Cohesive energy: -5.233710642728517 eV/atom

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