Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000
Computed model cutoff of 5.000000004544876 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: -17.114051
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5409863144159353, total energy = -17.114051257895554

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: -17.114051
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5409863114356996, total energy = -17.11405125789555

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: -17.114051
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5409863144159317, total energy = -17.11405125789555

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: -17.114051
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.540986315906052, total energy = -17.114051257895547

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: -17.114051
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5409863117150984, total energy = -17.114051257895557

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: -17.114051
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.54098632214591, total energy = -17.11405125789555

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: -17.114051
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.54098631925881, total energy = -17.114051257895547

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: -17.114051
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5409863237291574, total energy = -17.114051257895543

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: -17.114051
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.5409863114357014, total energy = -17.114051257895543

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: -17.114051
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5409863136708752, total energy = -17.11405125789555

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: -17.114051
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5409863214415966, total energy = -17.114051257895547

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: -17.114051
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.540986316744238, total energy = -17.114051257895547

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: -17.114051
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.540986316278577, total energy = -17.114051257895547

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: -17.114051
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5409863116801716, total energy = -17.11405125789555

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: -17.114051
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.5409863077104085, total energy = -17.11405125789555

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: -17.114051
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.540986321971285, total energy = -17.114051257895547

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: -17.114051
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.540986314229666, total energy = -17.114051257895554

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: -17.114051
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.54098632154637, total energy = -17.11405125789554

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: -17.114051
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.540986323356628, total energy = -17.114051257895543

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: -17.114051
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.540986311226151, total energy = -17.11405125789555

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: -17.114051
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5409863062202924, total energy = -17.114051257895543

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: -17.114051
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5409863248467426, total energy = -17.114051257895543

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: -17.114051
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.540986329317093, total energy = -17.11405125789554

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: -17.114051
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5409863170236315, total energy = -17.114051257895547

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: -17.114051
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.5409863010048857, total energy = -17.114051257895547

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: -17.114051
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.540986322052778, total energy = -17.114051257895547

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: -17.114051
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5409863025881325, total energy = -17.114051257895547

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: -17.114051
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.54098629578948, total energy = -17.114051257895543

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: -17.114051
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.540986308082934, total energy = -17.114051257895543

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: -17.114051
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5409863106906405, total energy = -17.114051257895543

Attempting to perform relaxation using initial lattice constant guess of a = 4.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.114051
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.540986320283266, total energy = -17.114051257895543

Attempting to perform relaxation using initial lattice constant guess of a = 4.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.114051
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5409863009583162, total energy = -17.11405125789555

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.114051
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5409863088279963, total energy = -17.11405125789555

Attempting to perform relaxation using initial lattice constant guess of a = 5.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.114051
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5409863202425127, total energy = -17.114051257895543

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.54098631] Angstroms and c = 3.31953061711925 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.114288
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.5442148128705036, c = 4.138920513214741, total energy = -17.114288059976737

Attempting to perform relaxation using initial lattice constant guess of a = [2.54098631] Angstroms and c = 3.527001280689203 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.114288
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.5442148352328524, c = 4.138920548539183, total energy = -17.11428805997673

Attempting to perform relaxation using initial lattice constant guess of a = [2.54098631] Angstroms and c = 3.734471944259156 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.114288
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.544214822585925, c = 4.138920558619855, total energy = -17.114288059976733

Attempting to perform relaxation using initial lattice constant guess of a = [2.54098631] Angstroms and c = 3.941942607829109 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.114288
         Iterations: 63
         Function evaluations: 137
Results for this minimization:
  a = 2.5442148104060998, c = 4.138920544611225, total energy = -17.114288059976737

Attempting to perform relaxation using initial lattice constant guess of a = [2.54098631] Angstroms and c = 4.149413271399062 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.114288
         Iterations: 64
         Function evaluations: 140
Results for this minimization:
  a = 2.544214828264834, c = 4.138920575181595, total energy = -17.114288059976726

Attempting to perform relaxation using initial lattice constant guess of a = [2.54098631] Angstroms and c = 4.356883934969015 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.114288
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.54421479890497, c = 4.138920568341438, total energy = -17.11428805997673

Attempting to perform relaxation using initial lattice constant guess of a = [2.54098631] Angstroms and c = 4.5643545985389675 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.114288
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.5442148116324717, c = 4.138920519193588, total energy = -17.114288059976737

Attempting to perform relaxation using initial lattice constant guess of a = [2.54098631] Angstroms and c = 4.771825262108921 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.114288
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.5442148148063155, c = 4.138920526620883, total energy = -17.11428805997674

Attempting to perform relaxation using initial lattice constant guess of a = [2.54098631] Angstroms and c = 4.9792959256788745 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.114288
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.544214833068173, c = 4.138920497096898, total energy = -17.11428805997673

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

 Final lattice Constants:
   a = 2.5442148148063155 Angstroms, c = 4.138920526620883 Angstroms, c/a = 1.626797

 Total energy: -17.11428805997674 eV

 Cohesive energy: -4.278572014994185 eV/atom

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