Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_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: 81
Results for this minimization:
  a = 2.5480007171630894, total energy = -17.04358839173045

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 = 2.5480007172154724, total energy = -17.043588391730463

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: 86
Results for this minimization:
  a = 2.548000745475292, total energy = -17.043588391730452

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.548000733810482, total energy = -17.04358839173046

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: 78
Results for this minimization:
  a = 2.5480007216334366, total energy = -17.043588391730456

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: 77
Results for this minimization:
  a = 2.5480007275939007, total energy = -17.043588391730452

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: 74
Results for this minimization:
  a = 2.548000739701092, 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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5480007347650826, total energy = -17.043588391730456

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5480007439851775, total energy = -17.043588391730452

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 = 2.5480007499456407, total energy = -17.043588391730445

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5480007172678603, total energy = -17.043588391730452

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.548000722471625, 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: 69
Results for this minimization:
  a = 2.5480007268488407, total energy = -17.043588391730452

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5480007227510213, total energy = -17.043588391730452

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: 69
Results for this minimization:
  a = 2.5480007332982493, total energy = -17.043588391730456

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: 73
Results for this minimization:
  a = 2.5480007389327506, total energy = -17.043588391730456

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.548000732809303, total energy = -17.043588391730456

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: 74
Results for this minimization:
  a = 2.5480007380247116, total energy = -17.043588391730456

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.548000733647495, total energy = -17.043588391730456

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.548000733926891, total energy = -17.043588391730456

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 = 2.54800073057413, total energy = -17.043588391730456

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.548000732157377, total energy = -17.043588391730456

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: 75
Results for this minimization:
  a = 2.5480007246369496, total energy = -17.043588391730456

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 = 2.548000728615439, total energy = -17.043588391730456

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 = 2.5480007227510204, total energy = -17.043588391730456

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.54800072] Angstroms and c = 3.3286941980925233 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.5569074024685303, c = 4.132067256157425, total energy = -17.045284571495216

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800072] Angstroms and c = 3.536737585473306 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.556907400731087, c = 4.132067203071811, total energy = -17.045284571495213

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800072] Angstroms and c = 3.7447809728540884 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.556907418354132, c = 4.132067212260133, total energy = -17.04528457149522

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800072] Angstroms and c = 3.952824360234871 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.5569074077053915, c = 4.132067216113115, total energy = -17.045284571495223

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800072] Angstroms and c = 4.1608677476156535 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.556907400169475, c = 4.132067218763787, total energy = -17.04528457149522

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800072] Angstroms and c = 4.368911134996436 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.5569074155967875, c = 4.132067229037622, total energy = -17.045284571495213

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800072] Angstroms and c = 4.576954522377219 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 75
         Function evaluations: 154
Results for this minimization:
  a = 2.556907402943602, c = 4.132067214444867, total energy = -17.045284571495216

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800072] Angstroms and c = 4.784997909758001 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.556907403735083, c = 4.132067211018399, total energy = -17.045284571495213

Attempting to perform relaxation using initial lattice constant guess of a = [2.54800072] Angstroms and c = 4.993041297138784 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.045285
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.556907396978548, c = 4.132067235472837, total energy = -17.045284571495216

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

 Final lattice Constants:
   a = 2.5569074077053915 Angstroms, c = 4.132067216113115 Angstroms, c/a = 1.616041

 Total energy: -17.045284571495223 eV

 Cohesive energy: -4.261321142873806 eV/atom

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