Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_000
Computed model cutoff of 4.5000000042096095 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: -17.715464
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.4913718903437285, total energy = -17.71546397566744

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: -17.715464
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.4913718932773907, total energy = -17.715463975667447

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: -17.715464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.491371885407716, total energy = -17.715463975667436

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: -17.715464
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4913719028234524, total energy = -17.71546397566744

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: -17.715464
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4913718974683445, total energy = -17.715463975667436

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: -17.715464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4913718920201076, total energy = -17.715463975667436

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: -17.715464
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.491371909948066, total energy = -17.71546397566743

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: -17.715464
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.491371888667345, total energy = -17.715463975667433

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: -17.715464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.491371908783914, total energy = -17.71546397566743

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: -17.715464
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.4913718962110583, total energy = -17.71546397566744

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: -17.715464
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4913718939060345, total energy = -17.715463975667443

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: -17.715464
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.4913718879222864, total energy = -17.715463975667436

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: -17.715464
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.4913718812167645, total energy = -17.715463975667436

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: -17.715464
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4913718920201067, total energy = -17.715463975667436

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: -17.715464
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.4913719048723566, total energy = -17.715463975667433

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: -17.715464
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4913719102740277, total energy = -17.71546397566744

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: -17.715464
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.491371895372866, total energy = -17.71546397566743

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: -17.715464
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.491371897049248, total energy = -17.715463975667433

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: -17.715464
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.491371888387947, total energy = -17.71546397566744

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: -17.715464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4913718907628195, total energy = -17.715463975667443

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: -17.715464
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.491371892020106, total energy = -17.71546397566744

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: -17.715464
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4913718895520995, total energy = -17.715463975667433

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: -17.715464
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.491371889191214, total energy = -17.715463975667436

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: -17.715464
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.491371884942051, total energy = -17.715463975667426

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: -17.715464
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.491371888667344, total energy = -17.71546397566744

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: -17.715464
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4913718988216726, total energy = -17.715463975667436

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: -17.715464
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.4913718944299004, total energy = -17.715463975667436

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: -17.715464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4913718868047, total energy = -17.715463975667426

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: -17.715464
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4913718886673397, total energy = -17.71546397566744

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: -17.715464
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.491371892904861, total energy = -17.715463975667436

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 3.2547146122886805 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.48439242060238, c = 4.091423446267851, total energy = -17.71726121811741

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 3.458134275556723 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.4843924308081444, c = 4.091423394035857, total energy = -17.717261218117418

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 3.6615539388247655 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.4843924276615184, c = 4.091423374564905, total energy = -17.717261218117415

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 3.864973602092808 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 63
         Function evaluations: 137
Results for this minimization:
  a = 2.4843924064150738, c = 4.091423354998651, total energy = -17.717261218117407

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 4.06839326536085 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.48439243486824, c = 4.0914233747334325, total energy = -17.717261218117418

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 4.2718129286288935 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.4843924348530555, c = 4.0914233891326575, total energy = -17.717261218117418

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 4.475232591896935 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.48439242660064, c = 4.091423390587019, total energy = -17.71726121811742

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 4.6786522551649785 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.4843924287377015, c = 4.091423359364742, total energy = -17.71726121811742

Attempting to perform relaxation using initial lattice constant guess of a = [2.49137189] Angstroms and c = 4.88207191843302 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.717261
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.484392408711651, c = 4.091423412979422, total energy = -17.71726121811741

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

 Final lattice Constants:
   a = 2.48439242660064 Angstroms, c = 4.091423390587019 Angstroms, c/a = 1.646851

 Total energy: -17.71726121811742 eV

 Cohesive energy: -4.429315304529355 eV/atom

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