Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_Wagner_2007_Ni__MO_444394830472_000
Computed model cutoff of 3.9991573619842535 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ni

==============================================================================
==============================================================================
 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: -17.716250
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4904242310673035, total energy = -17.716249884574957

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: -17.716250
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4904242239892485, total energy = -17.716249884574953

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: -17.716250
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4904242382617667, total energy = -17.716249884574957

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: -17.716250
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.490424224862368, total energy = -17.71624988457496

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: -17.716250
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4904242217540764, total energy = -17.716249884574957

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: -17.716250
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.4904242401942622, total energy = -17.716249884574953

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: -17.716250
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4904242318123586, total energy = -17.716249884574957

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: -17.716250
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4904242418706417, total energy = -17.71624988457495

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: -17.716250
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4904242366552376, total energy = -17.716249884574957

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: -17.716250
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4904242238961167, total energy = -17.716249884574953

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: -17.716250
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4904242334188904, total energy = -17.716249884574957

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: -17.716250
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.4904242341406646, total energy = -17.716249884574957

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: -17.716250
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.490424232557416, total energy = -17.716249884574957

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: -17.716250
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4904242239892476, total energy = -17.716249884574953

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: -17.716250
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.4904242329299446, total energy = -17.716249884574953

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: -17.716250
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4904242282209443, total energy = -17.716249884574953

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: -17.716250
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4904242234304537, total energy = -17.716249884574957

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: -17.716250
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.490424239076674, total energy = -17.71624988457495

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: -17.716250
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4904242414049795, total energy = -17.716249884574953

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: -17.716250
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.49042423077335, total energy = -17.71624988457496

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: -17.716250
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4904242292046543, total energy = -17.716249884574957

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: -17.716250
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4904242312069957, total energy = -17.716249884574957

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: -17.716250
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4904242362827063, total energy = -17.716249884574953

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: -17.716250
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.4904242290183864, total energy = -17.716249884574957

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: -17.716250
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4904242221266024, total energy = -17.716249884574957

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49042422] Angstroms and c = 3.2534765834555293 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.4831689888632997, c = 4.0906873665090115, total energy = -17.718102437227273

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042422] Angstroms and c = 3.4568188699215 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.4831689798563374, c = 4.090687356962048, total energy = -17.718102437227277

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042422] Angstroms and c = 3.6601611563874705 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.4831689786721514, c = 4.090687347582532, total energy = -17.718102437227273

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042422] Angstroms and c = 3.863503442853441 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.483168988518138, c = 4.090687388356615, total energy = -17.718102437227273

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042422] Angstroms and c = 4.066845729319412 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.4831689802787347, c = 4.090687344605946, total energy = -17.718102437227277

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042422] Angstroms and c = 4.270188015785383 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.4831689899047467, c = 4.090687362152664, total energy = -17.718102437227273

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042422] Angstroms and c = 4.473530302251353 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.4831689833784485, c = 4.090687387448222, total energy = -17.718102437227273

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042422] Angstroms and c = 4.676872588717323 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.483168980340059, c = 4.090687377436861, total energy = -17.718102437227277

Attempting to perform relaxation using initial lattice constant guess of a = [2.49042422] Angstroms and c = 4.880214875183294 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.718102
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.4831689799082923, c = 4.090687356688619, total energy = -17.718102437227273

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

 Final lattice Constants:
   a = 2.4831689798563374 Angstroms, c = 4.090687356962048 Angstroms, c/a = 1.647366

 Total energy: -17.718102437227277 eV

 Cohesive energy: -4.429525609306819 eV/atom

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