Element = Lattice = Model = Element: Co
Lattice: hcp
Model: EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005
Computed model cutoff of 5.269531236737983 Angstroms
Computed isolated atomic energy of 0.0 eV for species Co

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

Optimization terminated successfully.
         Current function value: -17.558775
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5029354458674797, total energy = -17.55877451486735

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: -17.558775
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5029354363679888, total energy = -17.558774514867363

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: -17.558775
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5029354400467128, total energy = -17.558774514867345

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: -17.558775
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5029354363679905, total energy = -17.55877451486736

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: -17.558775
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.5029353953432296, total energy = -17.55877451486728

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: -17.558775
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.502935448236532, total energy = -17.558774514867324

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: -17.558775
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.502935424633324, total energy = -17.558774514867356

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: -17.558775
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.5029354318976402, total energy = -17.558774514867316

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: -17.558775
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5029354445170604, total energy = -17.558774514867316

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: -17.558775
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.502935438725398, total energy = -17.558774514867327

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: -17.558775
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.502935389830962, total energy = -17.558774514867313

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: -17.558775
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.50293543934822, total energy = -17.558774514867313

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: -17.558775
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5029354114667512, total energy = -17.558774514867338

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: -17.558775
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.502935450710355, total energy = -17.558774514867302

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: -17.558775
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5029354468744716, total energy = -17.55877451486734

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: -17.558775
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.502935436367988, total energy = -17.55877451486735

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: -17.558775
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5029354153200964, total energy = -17.558774514867373

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: -17.558775
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5029354400467128, total energy = -17.558774514867356

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: -17.558775
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5029354248195843, total energy = -17.55877451486733

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: -17.558775
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.502935403585433, total energy = -17.558774514867295

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: -17.558775
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.502935448777863, total energy = -17.558774514867302

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: -17.558775
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.502935395343226, total energy = -17.558774514867288

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: -17.558775
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.502935401367722, total energy = -17.558774514867306

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 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 = 4.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.625 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 = 4.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.75 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 = 4.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.875 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 = 4.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.0 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 = 5.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.125 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 = 5.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.25 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 = 5.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -17.558775
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.5029354223050193, total energy = -17.55877451486735

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.50293542] Angstroms and c = 3.269821134226843 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.559729
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.507865636052331, c = 4.070679168560002, total energy = -17.559729302790725

Attempting to perform relaxation using initial lattice constant guess of a = [2.50293542] Angstroms and c = 3.4741849551160207 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.559729
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.5078656059608733, c = 4.070679143401265, total energy = -17.559729302790736

Attempting to perform relaxation using initial lattice constant guess of a = [2.50293542] Angstroms and c = 3.6785487760051985 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.559729
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.5078655931604463, c = 4.070679142139115, total energy = -17.55972930279075

Attempting to perform relaxation using initial lattice constant guess of a = [2.50293542] Angstroms and c = 3.8829125968943763 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.559729
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.507865608874461, c = 4.070679135692639, total energy = -17.55972930279077

Attempting to perform relaxation using initial lattice constant guess of a = [2.50293542] Angstroms and c = 4.0872764177835545 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.559729
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.50786561495162, c = 4.070679125233874, total energy = -17.55972930279075

Attempting to perform relaxation using initial lattice constant guess of a = [2.50293542] Angstroms and c = 4.291640238672732 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.559729
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 2.5078655875355884, c = 4.070679123617886, total energy = -17.559729302790775

Attempting to perform relaxation using initial lattice constant guess of a = [2.50293542] Angstroms and c = 4.49600405956191 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.559729
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.5078655690223313, c = 4.070679127385334, total energy = -17.559729302790736

Attempting to perform relaxation using initial lattice constant guess of a = [2.50293542] Angstroms and c = 4.700367880451088 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.559729
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.5078656062107907, c = 4.070679071793863, total energy = -17.559729302790764

Attempting to perform relaxation using initial lattice constant guess of a = [2.50293542] Angstroms and c = 4.904731701340266 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.559729
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 2.5078656210036177, c = 4.070679103870798, total energy = -17.559729302790757

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

 Final lattice Constants:
   a = 2.5078655875355884 Angstroms, c = 4.070679123617886 Angstroms, c/a = 1.623165

 Total energy: -17.559729302790775 eV

 Cohesive energy: -4.389932325697694 eV/atom

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