Element = Lattice = Model = Element: Zr
Lattice: hcp
Model: EAM_Dynamo_MendelevAckland_2007_Zr__MO_537826574817_000
Computed model cutoff of 7.599289038181314 Angstroms
Computed isolated atomic energy of 0.0 eV for species Zr

==============================================================================
==============================================================================
 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: -26.530908
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.208721733093266, total energy = -26.530908290781788

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: -26.530908
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.208721759915353, total energy = -26.53090829078176

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: -26.530908
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.208721817377955, total energy = -26.53090829078179

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: -26.530908
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.2087217972235504, total energy = -26.530908290781785

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: -26.530908
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.208721846342087, total energy = -26.530908290781827

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: -26.530908
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.20872181863524, total energy = -26.53090829078192

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: -26.530908
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.208721779286863, total energy = -26.530908290781756

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: -26.530908
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.2087218074128034, total energy = -26.530908290781785

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: -26.530908
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.2087218075990687, total energy = -26.530908290781834

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: -26.530908
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.2087218383094296, total energy = -26.530908290781785

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: -26.530908
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.2087217165739275, total energy = -26.530908290781763

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: -26.530908
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.208721793149015, total energy = -26.530908290781817

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: -26.530908
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.208721782453357, total energy = -26.530908290781788

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: -26.530908
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.2087217555381344, total energy = -26.530908290781788

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: -26.530908
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.2087218165397644, total energy = -26.5309082907818

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: -26.530908
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.208721835119648, total energy = -26.530908290781827

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: -26.530908
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2087217330932614, total energy = -26.530908290781802

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: -26.530908
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2087217855616488, total energy = -26.53090829078178

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: -26.530908
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2087217567488526, total energy = -26.53090829078174

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: -26.530908
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.208721846342087, total energy = -26.530908290781845

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: -26.530908
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.2087218031287166, total energy = -26.5309082907818

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: -26.530908
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.208721828693523, total energy = -26.5309082907819

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: -26.530908
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.208721797168256, total energy = -26.530908290781813

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: -26.530908
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.2087218002649003, total energy = -26.53090829078192

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: -26.530908
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.208721846342087, total energy = -26.530908290781827

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: -26.530908
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.2087217812659192, total energy = -26.530908290781795

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: -26.530908
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.208721824991514, total energy = -26.530908290781802

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: -26.530908
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.208721807939584, total energy = -26.530908290781845

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: -1.039236
         Iterations: 33
         Function evaluations: 75
Results for this minimization:
  a = 5.72516114115715, total energy = -1.0392362277693843

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 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 = 5.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.75 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 = 5.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.875 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 = 5.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.0 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 = 6.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -1.039236
         Iterations: 34
         Function evaluations: 76
Results for this minimization:
  a = 5.725161153823136, total energy = -1.0392362277693843

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 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 = 6.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.375 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 = 6.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.5 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 = 6.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.625 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 = 6.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.2087217940133956, total energy = -26.530908290781838

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.20872178056743, total energy = -26.53090829078176

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.2087217888096315, total energy = -26.5309082907818

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2087218214990516, total energy = -26.530908290781827

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.208721841964863, total energy = -26.53090829078187

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.208721798541952, total energy = -26.5309082907818

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.2087218165397644, total energy = -26.530908290781806

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -26.530908
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.208721850812439, total energy = -26.53090829078176

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.20872182] Angstroms and c = 4.1918566305021905 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 75
         Function evaluations: 162
Results for this minimization:
  a = 3.234055538447017, c = 5.167647419357483, total energy = -26.5388367628274

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872182] Angstroms and c = 4.453847669908577 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 3.234055475059683, c = 5.167647360108159, total energy = -26.538836762827422

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872182] Angstroms and c = 4.715838709314964 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 3.2340554355852307, c = 5.167647604979563, total energy = -26.538836762827458

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872182] Angstroms and c = 4.9778297487213505 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.234055392985367, c = 5.167647634518977, total energy = -26.538836762827408

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872182] Angstroms and c = 5.239820788127737 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 3.234055406328221, c = 5.167647395817751, total energy = -26.538836762827355

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872182] Angstroms and c = 5.501811827534124 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 76
         Function evaluations: 159
Results for this minimization:
  a = 3.234055512705206, c = 5.1676474561257475, total energy = -26.53883676282741

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872182] Angstroms and c = 5.763802866940511 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 79
         Function evaluations: 164
Results for this minimization:
  a = 3.2340555103628015, c = 5.167647248293269, total energy = -26.538836762827366

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872182] Angstroms and c = 6.025793906346897 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 3.2340555216253835, c = 5.167647273823577, total energy = -26.53883676282745

Attempting to perform relaxation using initial lattice constant guess of a = [3.20872182] Angstroms and c = 6.287784945753284 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -26.538837
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 3.2340554332959535, c = 5.167647451056586, total energy = -26.538836762827437

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

 Final lattice Constants:
   a = 3.2340554355852307 Angstroms, c = 5.167647604979563 Angstroms, c/a = 1.597885

 Total energy: -26.538836762827458 eV

 Cohesive energy: -6.6347091907068645 eV/atom

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