Element = Lattice = Model = Element: Pb
Lattice: hcp
Model: EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005
Computed model cutoff of 5.534562610089789 Angstroms
Computed isolated atomic energy of -4.163336342344337e-16 eV for species Pb

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -8.119997
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.471986556053165, total energy = -8.119996838992073

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: -8.119997
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4719865775201475, total energy = -8.119996838992062

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: -1.831278
         Iterations: 39
         Function evaluations: 79
Results for this minimization:
  a = 2.992009246913949, total energy = -1.8312780935441517

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: -8.119997
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.4719865029677726, total energy = -8.119996838992074

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: -8.119997
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.4719865396618843, total energy = -8.11999683899207

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: 3.736425
         Iterations: 37
         Function evaluations: 74
Results for this minimization:
  a = 2.98284219536581, total energy = 3.7364248735079335

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: -1.831278
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.9920092468266386, total energy = -1.8312780935441562

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: -1.831278
         Iterations: 35
         Function evaluations: 71
Results for this minimization:
  a = 2.9920092468761137, total energy = -1.831278093544154

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: -8.119997
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.471986496099272, total energy = -8.11999683899206

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: -8.119997
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.471986530930735, total energy = -8.119996838992074

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: -8.119997
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.4719865256571207, total energy = -8.119996838992078

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: -8.119997
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.4719865062274033, total energy = -8.119996838992064

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: -8.119997
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.4719865111401313, total energy = -8.119996838992073

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: -8.119997
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.4719865541905164, total energy = -8.119996838992078

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: -8.119997
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.4719865126535296, total energy = -8.11999683899208

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: -8.119997
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.4719864917860823, total energy = -8.11999683899205

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: -8.119997
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.4719865445047615, total energy = -8.119996838992073

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: -8.119997
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.4719865359831608, total energy = -8.11999683899208

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: -8.119997
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.47198657831177, total energy = -8.11999683899206

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: -8.119997
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.4719865429215133, total energy = -8.11999683899208

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: -8.119997
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.471986525296231, total energy = -8.11999683899207

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: -8.119997
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4719865343882685, total energy = -8.119996838992071

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: -8.119997
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.471986502967776, total energy = -8.119996838992067

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: -8.119997
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.4719865255057787, total energy = -8.119996838992067

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: -8.119997
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4719865396618843, total energy = -8.119996838992067

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: -8.119997
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4719865327933777, total energy = -8.119996838992066

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: -8.119997
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.471986542147349, total energy = -8.119996838992064

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: -8.119997
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.4719865293649503, total energy = -8.119996838992066

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: -8.119997
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4719864852726428, total energy = -8.119996838992046

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: -8.119997
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.4719865471415687, total energy = -8.119996838992067

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.47198651] Angstroms and c = 4.535784186574058 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.119997
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 3.4719865631999696, c = 5.669730182346269, total energy = -8.11999683899207

Attempting to perform relaxation using initial lattice constant guess of a = [3.47198651] Angstroms and c = 4.819270698234937 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.119997
         Iterations: 72
         Function evaluations: 160
Results for this minimization:
  a = 3.471986515362784, c = 5.66973038332439, total energy = -8.119996838992064

Attempting to perform relaxation using initial lattice constant guess of a = [3.47198651] Angstroms and c = 5.102757209895816 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.119997
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 3.47198655304972, c = 5.669730142944215, total energy = -8.11999683899206

Attempting to perform relaxation using initial lattice constant guess of a = [3.47198651] Angstroms and c = 5.386243721556695 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.119997
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 3.4719865178100657, c = 5.669730286618192, total energy = -8.119996838992058

Attempting to perform relaxation using initial lattice constant guess of a = [3.47198651] Angstroms and c = 5.669730233217574 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.119997
         Iterations: 66
         Function evaluations: 149
Results for this minimization:
  a = 3.471986512945103, c = 5.669730273041404, total energy = -8.11999683899207

Attempting to perform relaxation using initial lattice constant guess of a = [3.47198651] Angstroms and c = 5.9532167448784525 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.119997
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 3.47198655964253, c = 5.669730155268994, total energy = -8.119996838992067

Attempting to perform relaxation using initial lattice constant guess of a = [3.47198651] Angstroms and c = 6.236703256539331 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.119997
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 3.4719865184373075, c = 5.669730302915596, total energy = -8.11999683899207

Attempting to perform relaxation using initial lattice constant guess of a = [3.47198651] Angstroms and c = 6.52018976820021 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.119997
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 3.4719865012731645, c = 5.66973033411439, total energy = -8.119996838992066

Attempting to perform relaxation using initial lattice constant guess of a = [3.47198651] Angstroms and c = 6.803676279861089 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.119997
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 3.471986559067953, c = 5.669730189334725, total energy = -8.119996838992071

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

 Final lattice Constants:
   a = [3.47198651] Angstroms, c = [5.66973023] Angstroms, c/a = 1.632993

 Total energy: -8.11999683899208 eV

 Cohesive energy: -2.02999920974802 eV/atom

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