Element = Lattice = Model = Element: Au
Lattice: hcp
Model: EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Au__MO_559016907324_001
Computed model cutoff of 5.550000004470357 Angstroms
Computed isolated atomic energy of 0.0 eV for species Au

==============================================================================
==============================================================================
 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: -15.715730
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.88439378626645, total energy = -15.715729831684786

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: -15.715730
         Iterations: 41
         Function evaluations: 91
Results for this minimization:
  a = 2.8843938095262276, total energy = -15.715729831684833

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: -15.715730
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.884393841959536, total energy = -15.715729831684893

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: -15.715730
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8843938528210917, total energy = -15.71572983168489

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: -15.715730
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.8843938264995845, total energy = -15.715729831684866

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: -15.715730
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8843938097357773, total energy = -15.715729831684829

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: -15.715730
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.884393808245659, total energy = -15.715729831684843

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: -15.715730
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8843938295030966, total energy = -15.715729831684847

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: -15.715730
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.884393808618192, total energy = -15.715729831684895

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: -15.715730
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8843938496196655, total energy = -15.71572983168482

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: -15.715730
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8843938095262285, total energy = -15.71572983168484

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: -15.715730
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.884393799118696, total energy = -15.715729831684875

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: -15.715730
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.884393841959536, total energy = -15.715729831684886

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: -15.715730
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8843938509467995, total energy = -15.715729831684785

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: -15.715730
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8843938528210864, total energy = -15.715729831684907

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: -15.715730
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.8843938474659803, total energy = -15.71572983168488

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: -15.715730
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.884393826499581, total energy = -15.715729831684873

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: -15.715730
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8843938282807358, total energy = -15.715729831684843

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: -15.715730
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.8843938097357746, total energy = -15.715729831684817

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: -15.715730
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.8843938311096275, total energy = -15.715729831684897

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: -15.715730
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.88439382649958, total energy = -15.715729831684877

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: -15.715730
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8843938285950563, total energy = -15.715729831684904

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: -15.715730
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.884393829590408, total energy = -15.715729831684838

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: -15.715730
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8843938231904724, total energy = -15.715729831684879

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: -15.715730
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8843937855213877, total energy = -15.715729831684794

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: -15.715730
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8843938427045948, total energy = -15.715729831684865

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: -15.715730
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.884393849619662, total energy = -15.715729831684802

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: -15.715730
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.884393867570907, total energy = -15.715729831684852

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: -15.715730
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8843938097357715, total energy = -15.715729831684838

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: -15.715730
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.88439379762858, total energy = -15.715729831684905

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: -15.715730
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8843938522040853, total energy = -15.715729831684886

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: -15.715730
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8843938170000882, total energy = -15.715729831684898

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: -15.715730
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.884393841959536, total energy = -15.715729831684882

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: -15.715730
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8843937853875063, total energy = -15.715729831684797

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.715730
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.884393850335617, total energy = -15.715729831684778

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.715730
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8843938032121534, total energy = -15.715729831684886

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.715730
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.884393852821083, total energy = -15.715729831684847

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -15.715730
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8843938298523426, total energy = -15.715729831684815

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.88439385] Angstroms and c = 3.7681563502037885 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.88439385] Angstroms and c = 4.003666122091525 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.88439385] Angstroms and c = 4.239175893979262 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.88439385] Angstroms and c = 4.474685665866999 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.88439385] Angstroms and c = 4.710195437754736 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.88439385] Angstroms and c = 4.9457052096424725 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.88439385] Angstroms and c = 5.181214981530209 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.88439385] Angstroms and c = 5.416724753417946 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.88439385] Angstroms and c = 5.652234525305683 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.625 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [2.88439385] Angstroms, c = [4.71019544] Angstroms, c/a = 1.632993

 Total energy: -15.715729831684907 eV

 Cohesive energy: -3.928932457921227 eV/atom

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