Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_EtesamiAsadi_2018_Ni__MO_937008984446_000
Computed model cutoff of 3.999999990463257 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: -17.763344
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.489530552178625, total energy = -17.763343967833592

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: -17.763344
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4895305370911953, total energy = -17.763343967833574

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: -17.763344
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.4895305559039116, total energy = -17.763343967833592

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: -17.763344
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.489530543610458, total energy = -17.76334396783358

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: -17.763344
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.4895305544137973, total energy = -17.763343967833585

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: -17.763344
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.489530552399812, total energy = -17.76334396783358

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: -17.763344
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.489530556276441, total energy = -17.76334396783359

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: -17.763344
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4895305521786213, total energy = -17.76334396783359

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: -17.763344
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.489530555903913, total energy = -17.763343967833585

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: -17.763344
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.489530552423095, total energy = -17.76334396783359

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: -17.763344
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.489530552178622, total energy = -17.763343967833585

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: -17.763344
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.4895305575802924, total energy = -17.763343967833585

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: -17.763344
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.4895305559039116, total energy = -17.76334396783359

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: -17.763344
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.489530555950477, total energy = -17.763343967833585

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: -17.763344
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4895305559039107, total energy = -17.76334396783359

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: -17.763344
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.489530554006341, total energy = -17.763343967833585

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: -17.763344
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4895305499434457, total energy = -17.763343967833585

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: -17.763344
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.489530564926099, total energy = -17.76334396783358

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: -17.763344
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.489530567079782, total energy = -17.763343967833585

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: -17.763344
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4895305522572015, total energy = -17.763343967833585

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: -17.763344
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.489530547149479, total energy = -17.763343967833585

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: -17.763344
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4895305585116128, total energy = -17.76334396783358

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: -17.763344
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.489530563354492, total energy = -17.763343967833585

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: -17.763344
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4895305441808855, total energy = -17.76334396783358

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: -17.763344
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4895305693149554, total energy = -17.763343967833578

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 3.252309094350338 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.4858362062613333, c = 4.07752878503627, total energy = -17.76383230875189

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 3.455578412747234 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.4858361966407525, c = 4.077528784522884, total energy = -17.76383230875189

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 3.6588477311441303 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 74
         Function evaluations: 157
Results for this minimization:
  a = 2.485836193990125, c = 4.077528800330983, total energy = -17.76383230875189

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 3.8621170495410264 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.4858361974873313, c = 4.077528794868113, total energy = -17.763832308751894

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 4.065386367937922 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.485836201751313, c = 4.07752876124821, total energy = -17.763832308751894

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 4.268655686334819 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.485836206741769, c = 4.077528795773165, total energy = -17.763832308751894

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 4.471925004731714 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 71
         Function evaluations: 147
Results for this minimization:
  a = 2.485836191286942, c = 4.077528778391743, total energy = -17.76383230875189

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 4.675194323128611 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.4858362160151284, c = 4.077528766774912, total energy = -17.76383230875189

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 4.8784636415255065 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.485836201161768, c = 4.0775287838164695, total energy = -17.76383230875189

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

 Final lattice Constants:
   a = 2.4858361974873313 Angstroms, c = 4.077528794868113 Angstroms, c/a = 1.640305

 Total energy: -17.763832308751894 eV

 Cohesive energy: -4.4409580771879735 eV/atom

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