Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: Sim_LAMMPS_MEAM_AsadiZaeemNouranian_2015_Fe__SM_042630680993_000
Computed model cutoff of 3.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

==============================================================================
==============================================================================
 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: -17.043588
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5480007171630894, total energy = -17.04358839173046

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: -17.043588
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5480007173726333, total energy = -17.04358839173046

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: -17.043588
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.548000722657889, total energy = -17.04358839173046

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: -17.043588
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5480007334263117, total energy = -17.043588391730463

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: -17.043588
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.548000732809307, total energy = -17.04358839173046

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: -17.043588
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5480007275939007, total energy = -17.043588391730463

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: -17.043588
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.548000740353018, total energy = -17.043588391730456

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: -17.043588
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.5480007277801633, total energy = -17.04358839173046

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: -17.043588
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5480007290840163, total energy = -17.04358839173046

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: -17.043588
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.548000737279654, total energy = -17.04358839173046

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: -17.043588
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.548000743146986, total energy = -17.04358839173046

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: -17.043588
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.5480007242411373, total energy = -17.04358839173046

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: -17.043588
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5480007380247116, total energy = -17.04358839173046

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: -17.043588
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5480007344856856, total energy = -17.043588391730463

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: -17.043588
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5480007336183914, total energy = -17.04358839173046

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: -17.043588
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5480007309000934, total energy = -17.04358839173046

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: -17.043588
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.548000726103781, total energy = -17.04358839173046

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: -17.043588
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5480007368605584, total energy = -17.04358839173046

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: -17.043588
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5480007251724595, total energy = -17.043588391730463

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: -17.043588
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5480007301550343, total energy = -17.043588391730463

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: -17.043588
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.548000720143317, total energy = -17.043588391730463

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: -17.043588
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.548000732157377, total energy = -17.043588391730463

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: -17.043588
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.548000730574131, total energy = -17.04358839173046

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: -17.043588
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.548000731412317, total energy = -17.04358839173046

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: -17.043588
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5480007261037816, total energy = -17.043588391730463

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.54800073] Angstroms and c = 3.3286942192702753 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.5569074040435638, c = 4.13206720332452, total energy = -17.045284571495213

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800073] Angstroms and c = 3.5367376079746675 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.556907409876639, c = 4.132067200496616, total energy = -17.045284571495213

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800073] Angstroms and c = 3.7447809966790597 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 62
         Function evaluations: 134
Results for this minimization:
  a = 2.5569074097327515, c = 4.132067227439048, total energy = -17.045284571495213

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800073] Angstroms and c = 3.952824385383452 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.556907392314814, c = 4.132067230912446, total energy = -17.04528457149521

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800073] Angstroms and c = 4.160867774087844 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 67
         Function evaluations: 150
Results for this minimization:
  a = 2.5569074134568406, c = 4.13206725477213, total energy = -17.045284571495213

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800073] Angstroms and c = 4.368911162792236 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.55690740534193, c = 4.132067218342716, total energy = -17.045284571495213

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800073] Angstroms and c = 4.5769545514966286 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.5569074045640967, c = 4.132067229375407, total energy = -17.045284571495216

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800073] Angstroms and c = 4.784997940201021 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.5569074207326743, c = 4.132067200898543, total energy = -17.045284571495213

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800073] Angstroms and c = 4.993041328905413 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 69
         Function evaluations: 152
Results for this minimization:
  a = 2.5569073978598356, c = 4.132067227671914, total energy = -17.045284571495213

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

 Final lattice Constants:
   a = 2.5569074045640967 Angstroms, c = 4.132067229375407 Angstroms, c/a = 1.616041

 Total energy: -17.045284571495216 eV

 Cohesive energy: -4.261321142873804 eV/atom

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