Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: Sim_LAMMPS_MEAM_EtesamiAsadi_2018_Ni__SM_333792531460_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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4895305395126375, total energy = -17.763343967833578

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: 83
Results for this minimization:
  a = 2.4895305522310083, total energy = -17.763343967833585

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.489530548453331, total energy = -17.76334396783358

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4895305600017354, total energy = -17.763343967833585

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: 78
Results for this minimization:
  a = 2.4895305544137973, total energy = -17.76334396783358

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: 75
Results for this minimization:
  a = 2.489530551945792, 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: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.489530569314957, total energy = -17.763343967833574

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4895305413519964, total energy = -17.763343967833578

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4895305454731003, 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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.489530551433565, total energy = -17.76334396783358

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: 70
Results for this minimization:
  a = 2.489530552178622, total energy = -17.76334396783358

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: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.489530547184404, 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: 72
Results for this minimization:
  a = 2.489530550315976, total energy = -17.763343967833585

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: 73
Results for this minimization:
  a = 2.4895305499609086, 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 = 2.4895305395126335, total energy = -17.76334396783358

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4895305467769493, total energy = -17.76334396783358

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.489530545473097, 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: 78
Results for this minimization:
  a = 2.4895305605605245, total energy = -17.763343967833578

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.48953055255115, total energy = -17.76334396783358

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: 75
Results for this minimization:
  a = 2.4895305572077633, total energy = -17.76334396783358

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: 80
Results for this minimization:
  a = 2.4895305458456276, total energy = -17.763343967833578

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 = 2.4895305490586885, total energy = -17.763343967833578

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 = 2.489530553924851, 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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4895305618643726, total energy = -17.763343967833578

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4895305515266943, total energy = -17.763343967833585

==============================================================================
==============================================================================
 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 = 3.2523090944187714 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.48583620797774, c = 4.077528773583815, total energy = -17.76383230875189

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 3.4555784128199445 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.4858362009123693, c = 4.077528801869309, total energy = -17.763832308751894

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 3.6588477312211176 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.4858362039333306, c = 4.077528783652824, total energy = -17.76383230875189

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 3.8621170496222907 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.4858361976893444, c = 4.077528773977255, total energy = -17.763832308751887

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 4.065386368023464 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.485836203068515, c = 4.077528779415598, total energy = -17.763832308751898

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 4.268655686424637 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.4858361996661897, c = 4.077528783659655, total energy = -17.76383230875189

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 4.47192500482581 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.4858362051113243, c = 4.077528805897071, total energy = -17.76383230875189

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 4.675194323226983 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 2.4858362074958116, c = 4.077528793253116, total energy = -17.76383230875189

Attempting to perform relaxation using initial lattice constant guess of a = [2.48953055] Angstroms and c = 4.878463641628157 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.763832
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.485836196313697, c = 4.077528798504583, total energy = -17.76383230875189

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

 Final lattice Constants:
   a = 2.485836203068515 Angstroms, c = 4.077528779415598 Angstroms, c/a = 1.640305

 Total energy: -17.763832308751898 eV

 Cohesive energy: -4.440958077187974 eV/atom

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