Element = Lattice = Model = Element: V
Lattice: hcp
Model: MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_002
Computed model cutoff of 5.999999990463257 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: 78
Results for this minimization:
  a = 2.706000757217411, total energy = -20.933353654280317

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 = 2.706000771909021, total energy = -20.933353654280307

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 = -20.933353654280314

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: 82
Results for this minimization:
  a = 2.7060007467866005, total energy = -20.93335365428031

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: 80
Results for this minimization:
  a = 2.7060007612220964, total energy = -20.933353654280314

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: 79
Results for this minimization:
  a = 2.706000751350077, total energy = -20.933353654280307

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: 77
Results for this minimization:
  a = 2.706000758707524, total energy = -20.933353654280303

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.706000746693462, total energy = -20.933353654280307

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: 74
Results for this minimization:
  a = 2.706000762432815, total energy = -20.933353654280317

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: 76
Results for this minimization:
  a = 2.706000757706353, total energy = -20.933353654280314

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 = 2.70600074948743, total energy = -20.933353654280307

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.70600077896379, total energy = -20.933353654280303

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 = 2.7060007601976395, total energy = -20.93335365428031

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: 69
Results for this minimization:
  a = 2.7060007674474034, total energy = -20.93335365428031

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 = 2.706000761385076, total energy = -20.933353654280317

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 = 2.7060007556865457, total energy = -20.933353654280317

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: 75
Results for this minimization:
  a = 2.706000747252255, total energy = -20.93335365428031

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 = 2.7060007557156496, total energy = -20.93335365428031

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: 76
Results for this minimization:
  a = 2.706000745296478, total energy = -20.933353654280307

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: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.706000764260533, total energy = -20.93335365428031

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: 76
Results for this minimization:
  a = 2.706000758707522, total energy = -20.933353654280307

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 = 2.706000765599309, total energy = -20.93335365428031

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: 77
Results for this minimization:
  a = 2.7060007452964783, total energy = -20.933353654280303

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7060007799416756, total energy = -20.933353654280303

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: 76
Results for this minimization:
  a = 2.7060007624328137, total energy = -20.933353654280314

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.7060007568390585, total energy = -20.933353654280314

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7060007668100283, total energy = -20.933353654280307

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: 82
Results for this minimization:
  a = 2.7060007610707544, total energy = -20.933353654280317

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: 80
Results for this minimization:
  a = 2.706000772118564, total energy = -20.933353654280307

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: 80
Results for this minimization:
  a = 2.706000765040515, total energy = -20.933353654280307

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: 80
Results for this minimization:
  a = 2.7060007621534186, total energy = -20.933353654280307

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: 84
Results for this minimization:
  a = 2.7060007452964747, total energy = -20.933353654280303

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: -20.933354
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.7060007601976395, total energy = -20.93335365428031

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: -20.933354
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.7060007645341058, total energy = -20.933353654280314

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: -20.933354
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.706000758707521, total energy = -20.93335365428031

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: -20.933354
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.706000757217409, total energy = -20.93335365428031

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: -20.933354
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.706000761000902, total energy = -20.933353654280314

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: -20.933354
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.706000766251236, total energy = -20.933353654280314

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: -20.933354
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.7060007408261244, total energy = -20.9333536542803

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: -20.933354
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7060007708263556, total energy = -20.933353654280303

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: -20.933354
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.706000744737677, total energy = -20.933353654280307

==============================================================================
==============================================================================
 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 = 3.5351045860093664 = ([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 = 6.0 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 = [2.70600076] Angstroms and c = 3.756048622634952 = ([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 = 6.0 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 = [2.70600076] Angstroms and c = 3.9769926592605374 = ([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 = 6.0 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 = [2.70600076] Angstroms and c = 4.197936695886122 = ([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 = 6.0 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 = [2.70600076] Angstroms and c = 4.418880732511708 = ([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 = 6.0 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 = [2.70600076] Angstroms and c = 4.639824769137293 = ([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 = 6.0 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 = [2.70600076] Angstroms and c = 4.860768805762879 = ([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 = 6.0 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 = [2.70600076] Angstroms and c = 5.081712842388464 = ([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 = 6.0 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 = [2.70600076] Angstroms and c = 5.30265687901405 = ([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 = 6.0 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 = [2.70600076] Angstroms, c = [4.41888073] Angstroms, c/a = 1.632993

 Total energy: -20.933353654280317 eV

 Cohesive energy: -5.233338413570079 eV/atom

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