Element = Lattice = Model = Element: U
Lattice: hcp
Model: EAM_Dynamo_SmirnovaKuskinStarikov_2013_UMoXe__MO_679329885632_005
Computed model cutoff of 6.1960960960761104 Angstroms
Computed isolated atomic energy of 0.0 eV for species U

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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.125 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 = 2.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -15.254757
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9859808433800934, total energy = -15.25475737639348

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: -15.254757
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.985980872437357, total energy = -15.254757376393488

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: -15.359106
         Iterations: 36
         Function evaluations: 81
Results for this minimization:
  a = 3.37143326504156, total energy = -15.359105895010922

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: -15.254757
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9859808713197715, total energy = -15.25475737639346

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: -15.254757
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9859808430075647, total energy = -15.25475737639346

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: -15.254757
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.9859808713197706, total energy = -15.254757376393467

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: -15.254757
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.9859808433800943, total energy = -15.254757376393467

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: -15.359106
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.371433278080076, total energy = -15.359105895010932

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: -15.359106
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.3714332847855983, total energy = -15.359105895010929

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: -15.359106
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.371433278813493, total energy = -15.359105895010927

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: -15.359106
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.371433264832012, total energy = -15.359105895010893

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: -15.359106
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.371433284366502, total energy = -15.359105895010918

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: -10.951402
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.931550560053438, total energy = -10.951402395454206

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: -15.359106
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.371433268487452, total energy = -15.359105895010913

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: -10.951402
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.9315505620092157, total energy = -10.951402395454208

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: -10.951402
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.9315505571721583, total energy = -10.951402395454206

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: -15.359106
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.371433269046246, total energy = -15.35910589501091

Attempting to perform relaxation using initial lattice constant guess of a = 4.375 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 = 4.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: 0.401700
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 4.68103515766561, total energy = 0.4017000387550611

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: -15.254757
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9859808683395377, total energy = -15.254757376393435

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: 0.401700
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 4.681035159167368, total energy = 0.401700038755061

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: -0.388870
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 6.033894653475728, total energy = -0.3888696212028338

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: -0.388870
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 6.033894653432071, total energy = -0.38886962120283386

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: -0.090071
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 5.743850236316213, total energy = -0.09007074423505006

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: -0.388870
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 6.033894652454185, total energy = -0.3888696212028337

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: -0.090071
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 5.743850235943682, total energy = -0.09007074423505006

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: -0.388870
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 6.033894653921015, total energy = -0.3888696212028338

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: -0.090071
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 5.7438502362929285, total energy = -0.09007074423505006

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.388870
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 6.033894654270262, total energy = -0.3888696212028338

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.388870
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 6.033894654305188, total energy = -0.38886962120283375

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.388870
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 6.033894653571773, total energy = -0.38886962120283375

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: -0.388870
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 6.033894652454182, total energy = -0.38886962120283375

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.388870
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 6.033894655120093, total energy = -0.3888696212028338

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.37143328] Angstroms and c = 4.40442199100534 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.133324
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.45462441844594, c = 4.912622625139184, total energy = -16.13332431857993

Attempting to perform relaxation using initial lattice constant guess of a = [3.37143328] Angstroms and c = 4.679698365443174 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.133324
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 3.454624451579238, c = 4.9126226065088225, total energy = -16.13332431857991

Attempting to perform relaxation using initial lattice constant guess of a = [3.37143328] Angstroms and c = 4.954974739881007 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.133324
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 3.4546244402810595, c = 4.912622590591249, total energy = -16.133324318579927

Attempting to perform relaxation using initial lattice constant guess of a = [3.37143328] Angstroms and c = 5.230251114318841 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.133324
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 3.4546244114410065, c = 4.9126226590094735, total energy = -16.133324318579913

Attempting to perform relaxation using initial lattice constant guess of a = [3.37143328] Angstroms and c = 5.505527488756674 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.133324
         Iterations: 76
         Function evaluations: 153
Results for this minimization:
  a = 3.4546244184999693, c = 4.9126226582330235, total energy = -16.13332431857991

Attempting to perform relaxation using initial lattice constant guess of a = [3.37143328] Angstroms and c = 5.780803863194508 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.133324
         Iterations: 68
         Function evaluations: 144
Results for this minimization:
  a = 3.4546244385720266, c = 4.91262257756182, total energy = -16.133324318579934

Attempting to perform relaxation using initial lattice constant guess of a = [3.37143328] Angstroms and c = 6.056080237632341 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.133324
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 3.4546244318963106, c = 4.912622595646523, total energy = -16.13332431857994

Attempting to perform relaxation using initial lattice constant guess of a = [3.37143328] Angstroms and c = 6.3313566120701745 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.133324
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 3.4546244278681355, c = 4.912622644084309, total energy = -16.133324318579916

Attempting to perform relaxation using initial lattice constant guess of a = [3.37143328] Angstroms and c = 6.606632986508008 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.133324
         Iterations: 89
         Function evaluations: 186
Results for this minimization:
  a = 3.454624418913083, c = 4.912622609364828, total energy = -16.13332431857992

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

 Final lattice Constants:
   a = 3.4546244318963106 Angstroms, c = 4.912622595646523 Angstroms, c/a = 1.422042

 Total energy: -16.13332431857994 eV

 Cohesive energy: -4.033331079644985 eV/atom

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