Element = Lattice = Model = Element: Al
Lattice: hcp
Model: MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Al

==============================================================================
==============================================================================
 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: -13.279311
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8677423452958513, total energy = -13.279311000351004

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: -13.279311
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.867742349393666, total energy = -13.279311000351

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: -13.279311
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8677423298940994, total energy = -13.279311000350997

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: -13.279311
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8677423498942582, total energy = -13.279311000350999

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: -13.279311
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8677423471584946, total energy = -13.279311000350997

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: -13.279311
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8677423410117644, total energy = -13.279311000350997

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: -13.279311
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.867742335051298, total energy = -13.279311000351

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: -13.279311
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8677423298358917, total energy = -13.279311000350997

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: -13.279311
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8677423477172876, total energy = -13.279311000350997

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: -13.279311
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.867742357304088, total energy = -13.279311000350999

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: -13.279311
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.867742347717286, total energy = -13.279311000350997

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: -13.279311
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8677423377521323, total energy = -13.279311000350999

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: -13.279311
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.86774233734468, total energy = -13.279311000351

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: -13.279311
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.867742337659002, total energy = -13.279311000350996

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: -13.279311
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.867742346564773, total energy = -13.279311000350999

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: -13.279311
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.867742337845266, total energy = -13.279311000351

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: -13.279311
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.867742329835891, total energy = -13.279311000350996

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: -13.279311
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.86774233012693, total energy = -13.279311000350997

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: -13.279311
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8677423331420853, total energy = -13.279311000351003

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: -13.279311
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8677423259243366, total energy = -13.279311000350992

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: -13.279311
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.867742335051297, total energy = -13.279311000351

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: -13.279311
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8677423501387223, total energy = -13.279311000350999

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: -13.279311
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.867742335423827, total energy = -13.279311000350997

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: -13.279311
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.867742327798621, total energy = -13.279311000350997

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: -13.279311
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.867742347624153, total energy = -13.279311000350999

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: -13.279311
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.867742335423828, total energy = -13.279311000350999

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: -13.279311
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8677423448360035, total energy = -13.279311000351

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: -13.279311
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8677423428744078, total energy = -13.279311000351004

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: -13.279311
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8677423472981864, total energy = -13.279311000350999

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: -13.279311
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8677423370711033, total energy = -13.279311000351004

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: -13.279311
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8677423406275926, total energy = -13.279311000350999

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: -13.279311
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.867742342827839, total energy = -13.279311000351003

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: -13.279311
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.8677423428744078, total energy = -13.279311000350999

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: -13.279311
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8677423470318857, total energy = -13.279311000351

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86774235] Angstroms and c = 3.746402911865154 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.291658
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.8316952883950717, c = 4.80264944118653, total energy = -13.291658095745454

Attempting to perform relaxation using initial lattice constant guess of a = [2.86774235] Angstroms and c = 3.980553093856726 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.291658
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.8316952886708067, c = 4.802649415365744, total energy = -13.291658095745454

Attempting to perform relaxation using initial lattice constant guess of a = [2.86774235] Angstroms and c = 4.214703275848298 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.291658
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.831695278211839, c = 4.802649429494512, total energy = -13.291658095745452

Attempting to perform relaxation using initial lattice constant guess of a = [2.86774235] Angstroms and c = 4.448853457839871 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.291658
         Iterations: 64
         Function evaluations: 142
Results for this minimization:
  a = 2.8316952965495954, c = 4.802649364395938, total energy = -13.291658095745452

Attempting to perform relaxation using initial lattice constant guess of a = [2.86774235] Angstroms and c = 4.683003639831442 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.291658
         Iterations: 62
         Function evaluations: 140
Results for this minimization:
  a = 2.8316952876336474, c = 4.802649405342975, total energy = -13.291658095745456

Attempting to perform relaxation using initial lattice constant guess of a = [2.86774235] Angstroms and c = 4.917153821823014 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.291658
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.831695276521244, c = 4.8026494759199245, total energy = -13.291658095745458

Attempting to perform relaxation using initial lattice constant guess of a = [2.86774235] Angstroms and c = 5.1513040038145865 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.291658
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.8316952745756403, c = 4.802649448565258, total energy = -13.291658095745456

Attempting to perform relaxation using initial lattice constant guess of a = [2.86774235] Angstroms and c = 5.385454185806159 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.291658
         Iterations: 78
         Function evaluations: 163
Results for this minimization:
  a = 2.831695284958769, c = 4.8026494030254465, total energy = -13.291658095745458

Attempting to perform relaxation using initial lattice constant guess of a = [2.86774235] Angstroms and c = 5.619604367797731 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.291658
         Iterations: 75
         Function evaluations: 163
Results for this minimization:
  a = 2.8316952784212925, c = 4.802649459168606, total energy = -13.291658095745452

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

 Final lattice Constants:
   a = 2.831695276521244 Angstroms, c = 4.8026494759199245 Angstroms, c/a = 1.696033

 Total energy: -13.291658095745458 eV

 Cohesive energy: -3.3229145239363644 eV/atom

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