Element = Lattice = Model = Element: Co
Lattice: hcp
Model: EAM_Dynamo_PunYamakovMishin_2015_NiCo__MO_010613863288_000
Computed model cutoff of 6.472136764042112 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))

Optimization terminated successfully.
         Current function value: -17.559983
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5070190757513076, total energy = -17.559983370538163

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: -17.559983
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5070191083941626, total energy = -17.559983370538163

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: -17.559983
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5070191099424854, total energy = -17.559983370538163

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: -17.559983
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.507019080396276, total energy = -17.559983370538173

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: -17.559983
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5070190936326995, total energy = -17.559983370538166

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: -17.559983
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5070190959842873, total energy = -17.55998337053817

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: -17.559983
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.5070191115140927, total energy = -17.55998337053816

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: -17.559983
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.5070191109087316, total energy = -17.55998337053817

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: -17.559983
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5070190799888223, total energy = -17.55998337053817

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: -17.559983
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.507019099919126, total energy = -17.559983370538166

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: -17.559983
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5070191083475946, total energy = -17.55998337053816

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: -17.559983
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.507019059680168, total energy = -17.559983370538163

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: -17.559983
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.507019080291501, total energy = -17.55998337053818

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: -17.559983
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.507019089825917, total energy = -17.559983370538205

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: -17.559983
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.507019116869196, total energy = -17.559983370538152

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: -17.559983
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.50701911151409, total energy = -17.559983370538173

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: -17.559983
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5070191100239754, total energy = -17.559983370538156

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: -17.559983
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5070190623402575, total energy = -17.55998337053817

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: -17.559983
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5070190969854593, total energy = -17.559983370538177

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: -17.559983
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5070191122591456, total energy = -17.55998337053815

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: -17.559983
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5070190927945064, total energy = -17.55998337053818

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: -17.559983
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5070190850412493, total energy = -17.559983370538184

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: -17.559983
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.507019062340256, total energy = -17.559983370538163

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: -17.559983
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5070190960686887, total energy = -17.559983370538195

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))

Optimization terminated successfully.
         Current function value: -17.559983
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5070191109087334, total energy = -17.559983370538166

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: -17.559983
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.507019089930687, total energy = -17.559983370538177

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: -17.559983
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.5070190820260905, total energy = -17.5599833705382

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: -17.559983
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5070191144943177, total energy = -17.55998337053815

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: -17.559983
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5070190796279332, total energy = -17.55998337053816

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: -17.559983
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.50701908580959, total energy = -17.559983370538156

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: -17.559983
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5070191103965005, total energy = -17.559983370538156

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: -17.559983
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.507019081967883, total energy = -17.55998337053817

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: -17.559983
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5070191005128373, total energy = -17.559983370538166

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: -17.559983
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.507019083958583, total energy = -17.559983370538184

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: -17.559983
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5070190668106003, total energy = -17.559983370538152

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: -17.559983
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5070190976373805, total energy = -17.559983370538163

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: -17.559983
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.507019090699032, total energy = -17.559983370538156

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.559983
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5070190623402575, total energy = -17.55998337053817

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.559983
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.507019099919118, total energy = -17.559983370538188

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.50701909] Angstroms and c = 3.2751560242614417 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.564197
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.5186760667945327, c = 4.055738957610268, total energy = -17.56419736800566

Attempting to perform relaxation using initial lattice constant guess of a = [2.50701909] Angstroms and c = 3.479853275777782 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.564197
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.51867604820859, c = 4.055738911146392, total energy = -17.564197368005654

Attempting to perform relaxation using initial lattice constant guess of a = [2.50701909] Angstroms and c = 3.684550527294122 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.564197
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.5186760489413795, c = 4.055738879525223, total energy = -17.56419736800568

Attempting to perform relaxation using initial lattice constant guess of a = [2.50701909] Angstroms and c = 3.889247778810462 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.564197
         Iterations: 65
         Function evaluations: 145
Results for this minimization:
  a = 2.5186760721443164, c = 4.05573882691629, total energy = -17.56419736800566

Attempting to perform relaxation using initial lattice constant guess of a = [2.50701909] Angstroms and c = 4.093945030326802 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.564197
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.5186760968688224, c = 4.0557389473056045, total energy = -17.56419736800565

Attempting to perform relaxation using initial lattice constant guess of a = [2.50701909] Angstroms and c = 4.298642281843142 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.564197
         Iterations: 67
         Function evaluations: 141
Results for this minimization:
  a = 2.518676071878891, c = 4.055738879830077, total energy = -17.564197368005665

Attempting to perform relaxation using initial lattice constant guess of a = [2.50701909] Angstroms and c = 4.503339533359482 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.564197
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.518676065096229, c = 4.055738894005506, total energy = -17.56419736800568

Attempting to perform relaxation using initial lattice constant guess of a = [2.50701909] Angstroms and c = 4.708036784875823 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.564197
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.518676069466438, c = 4.055738823903138, total energy = -17.564197368005658

Attempting to perform relaxation using initial lattice constant guess of a = [2.50701909] Angstroms and c = 4.9127340363921626 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.564197
         Iterations: 79
         Function evaluations: 163
Results for this minimization:
  a = 2.5186760751384103, c = 4.055738866954616, total energy = -17.564197368005683

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

 Final lattice Constants:
   a = 2.5186760751384103 Angstroms, c = 4.055738866954616 Angstroms, c/a = 1.610266

 Total energy: -17.564197368005683 eV

 Cohesive energy: -4.391049342001421 eV/atom

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