Element = Lattice = Model = Element: V
Lattice: hcp
Model: MEAM_LAMMPS_OhSeolLee_2020_CoV__MO_771146361182_001
Computed model cutoff of 4.79999999620023 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 = 2.706000767648224, total energy = -20.933353655438463

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: 82
Results for this minimization:
  a = 2.7060007721185686, total energy = -20.933353655438456

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 = 2.7060007674153894, total energy = -20.93335365543846

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: 80
Results for this minimization:
  a = 2.706000754982239, total energy = -20.933353655438463

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 = 2.706000756402503, total energy = -20.933353655438463

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7060007598251117, total energy = -20.93335365543846

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: 78
Results for this minimization:
  a = 2.7060007691383365, total energy = -20.933353655438456

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 = 2.706000757869333, total energy = -20.933353655438463

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: 79
Results for this minimization:
  a = 2.706000754237177, total energy = -20.93335365543846

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: 72
Results for this minimization:
  a = 2.706000765226783, total energy = -20.933353655438463

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: 79
Results for this minimization:
  a = 2.7060007520020006, total energy = -20.93335365543846

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: 72
Results for this minimization:
  a = 2.706000760383904, total energy = -20.933353655438463

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 = 2.706000752747059, total energy = -20.93335365543846

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 = 2.706000756812864, total energy = -20.933353655438456

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: 68
Results for this minimization:
  a = 2.7060007549822327, total energy = -20.93335365543846

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 = 2.706000757962465, total energy = -20.93335365543846

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: 71
Results for this minimization:
  a = 2.706000754237174, total energy = -20.933353655438456

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.706000764592318, total energy = -20.933353655438463

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: 75
Results for this minimization:
  a = 2.7060007743537415, total energy = -20.933353655438452

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: 76
Results for this minimization:
  a = 2.7060007620602837, total energy = -20.933353655438456

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 = 2.706000758707522, total energy = -20.93335365543846

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 = 2.706000747368669, total energy = -20.933353655438463

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: 75
Results for this minimization:
  a = 2.7060007565596607, total energy = -20.93335365543846

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: 75
Results for this minimization:
  a = 2.7060007684834977, total energy = -20.93335365543846

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: 78
Results for this minimization:
  a = 2.7060007564723483, total energy = -20.93335365543846

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 = 2.706000750308159, total energy = -20.933353655438466

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: 79
Results for this minimization:
  a = 2.706000768393276, total energy = -20.93335365543846

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.7060007578111254, total energy = -20.933353655438456

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 = 2.706000772118564, total energy = -20.93335365543846

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 = 2.706000766548094, total energy = -20.933353655438463

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: -20.933354
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.7060007603839056, total energy = -20.93335365543846

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: -20.933354
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.70600077253766, total energy = -20.93335365543846

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.70600075] Angstroms and c = 3.5351045769831573 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.7203642307866645, c = 4.372572923518241, total energy = -20.934842572166207

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600075] Angstroms and c = 3.7560486130446047 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 2.7203641926074207, c = 4.372573090656014, total energy = -20.934842572166218

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600075] Angstroms and c = 3.976992649106052 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.7203642189153423, c = 4.372572998813884, total energy = -20.934842572166225

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600075] Angstroms and c = 4.1979366851675 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.7203642281425617, c = 4.372572979746071, total energy = -20.934842572166215

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600075] Angstroms and c = 4.4188807212289465 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 66
         Function evaluations: 139
Results for this minimization:
  a = 2.720364210240449, c = 4.372573020369552, total energy = -20.934842572166218

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600075] Angstroms and c = 4.639824757290395 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.7203642006045197, c = 4.37257303962303, total energy = -20.93484257216622

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600075] Angstroms and c = 4.860768793351841 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 73
         Function evaluations: 160
Results for this minimization:
  a = 2.720364198291235, c = 4.372573035592575, total energy = -20.93484257216622

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600075] Angstroms and c = 5.08171282941329 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.7203642168032394, c = 4.37257304202692, total energy = -20.934842572166225

Attempting to perform relaxation using initial lattice constant guess of a = [2.70600075] Angstroms and c = 5.302656865474736 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.934843
         Iterations: 75
         Function evaluations: 164
Results for this minimization:
  a = 2.720364223385725, c = 4.372573015875469, total energy = -20.934842572166218

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

 Final lattice Constants:
   a = 2.7203642189153423 Angstroms, c = 4.372572998813884 Angstroms, c/a = 1.607348

 Total energy: -20.934842572166225 eV

 Cohesive energy: -5.233710643041556 eV/atom

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