Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_000
Computed model cutoff of 5.167809369564074 Angstroms
Computed isolated atomic energy of -0.027261401751976073 eV for species Ni

==============================================================================
==============================================================================
 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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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: -17.595711
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.490879266336562, total energy = -17.59571050448524

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: -17.595711
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4908792551606913, total energy = -17.595710504485226

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: -17.595711
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4908792369067663, total energy = -17.595710504485186

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: -17.595711
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.4908792758360505, total energy = -17.595710504485226

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: -17.595711
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4908792514354, total energy = -17.59571050448524

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: -17.595711
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.490879253437743, total energy = -17.595710504485215

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: -17.595711
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.4908792670350524, total energy = -17.595710504485243

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: -17.595711
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.4908792705740774, total energy = -17.59571050448525

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: -17.595711
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.4908792693167925, total energy = -17.59571050448526

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: -17.595711
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.490879231935832, total energy = -17.59571050448519

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: -17.595711
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4908792383968823, total energy = -17.595710504485194

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: -17.595711
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.4908793091773975, total energy = -17.59571050448516

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: -17.595711
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.49087926968932, total energy = -17.595710504485247

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: -17.595711
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4908792693167925, total energy = -17.595710504485265

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: -17.595711
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4908792551606895, total energy = -17.5957105044852

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: -17.595711
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4908792826987325, total energy = -17.59571050448522

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: -17.595711
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4908792558126134, total energy = -17.595710504485194

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: -17.595711
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.490879236906765, total energy = -17.595710504485186

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: -17.595711
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.4908792758360505, total energy = -17.59571050448522

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: -17.595711
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.49087925618514, total energy = -17.59571050448519

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: -17.595711
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4908792499452814, total energy = -17.59571050448519

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: -17.595711
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4908792937174455, total energy = -17.595710504485222

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: -17.595711
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4908792383968796, total energy = -17.59571050448518

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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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: -17.595711
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.490879259072245, total energy = -17.59571050448521

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: -17.595711
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4908792696325652, total energy = -17.595710504485233

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: -17.595711
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4908792375354096, total energy = -17.59571050448518

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: -17.595711
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.490879268691054, total energy = -17.595710504485236

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: -17.595711
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.490879232669246, total energy = -17.59571050448518

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 3.254071051041462 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.481895778862498, c = 4.104842938350042, total energy = -17.59894636907149

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 3.4574504917315534 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.481895773475611, c = 4.104842918395665, total energy = -17.598946369071516

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 3.660829932421645 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.481895807660047, c = 4.104842796513825, total energy = -17.598946369071463

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 3.8642093731117364 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 66
         Function evaluations: 141
Results for this minimization:
  a = 2.4818957722125283, c = 4.104842982318876, total energy = -17.598946369071516

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 4.067588813801828 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 65
         Function evaluations: 145
Results for this minimization:
  a = 2.481895761826638, c = 4.104843032643616, total energy = -17.598946369071516

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 4.270968254491919 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 63
         Function evaluations: 138
Results for this minimization:
  a = 2.4818957629517655, c = 4.10484293626228, total energy = -17.598946369071516

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 4.474347695182011 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.481895771146301, c = 4.104842931190149, total energy = -17.5989463690715

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 4.677727135872102 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 2.4818957846300966, c = 4.104842881002821, total energy = -17.598946369071506

Attempting to perform relaxation using initial lattice constant guess of a = [2.49087927] Angstroms and c = 4.881106576562194 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.598946
         Iterations: 74
         Function evaluations: 150
Results for this minimization:
  a = 2.4818957780423547, c = 4.10484297369641, total energy = -17.598946369071516

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

 Final lattice Constants:
   a = 2.481895773475611 Angstroms, c = 4.104842918395665 Angstroms, c/a = 1.653914

 Total energy: -17.598946369071516 eV

 Cohesive energy: -4.399736592267879 eV/atom

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