Element = Lattice = Model = Element: Fe
Lattice: hcp
Model: EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
Computed model cutoff of 5.799956635832791 Angstroms
Computed isolated atomic energy of 0.0 eV for species Fe

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

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 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 = 1.625 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 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 = 1.75 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 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 = 1.875 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 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 = 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 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 = 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 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 = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.569546
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5314803867717277, total energy = -17.569546007967837

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: -17.569546
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.53148038201034, total energy = -17.569546007967876

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: -17.569546
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.5314803754445165, total energy = -17.569546007967872

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: -17.569546
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.531480403989554, total energy = -17.56954600796786

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: -17.569546
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5314804159104822, total energy = -17.56954600796786

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: -17.569546
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5314803878776724, total energy = -17.569546007967855

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: -17.569546
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.531480410834774, total energy = -17.569546007967872

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: -17.569546
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.531480375910178, total energy = -17.569546007967848

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: -17.569546
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.531480403989553, total energy = -17.569546007967855

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: -17.569546
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5314803779183412, total energy = -17.56954600796786

Attempting to perform relaxation using initial lattice constant guess of a = 3.5 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 = 3.5 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 = 3.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: 6.318758
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.047542158467697, total energy = 6.318757542252819

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: 6.318758
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 4.047542154818075, total energy = 6.318757542252819

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: 6.318758
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 4.047542157489806, total energy = 6.318757542252823

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: 6.318758
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 4.047542166709901, total energy = 6.318757542252834

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: 6.318758
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 4.047542166517814, total energy = 6.318757542252831

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: 6.318758
         Iterations: 33
         Function evaluations: 68
Results for this minimization:
  a = 4.047542160516606, total energy = 6.3187575422528255

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: 6.318758
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 4.047542158863507, total energy = 6.318757542252821

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: 6.318758
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 4.0475421578215895, total energy = 6.318757542252826

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: 6.318758
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.04754214566201, total energy = 6.31875754225283

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: 6.318758
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 4.047542153764517, total energy = 6.318757542252832

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: -0.014207
         Iterations: 50
         Function evaluations: 100
Results for this minimization:
  a = 5.60881271121616, total energy = -0.014206744405097256

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: -0.014207
         Iterations: 47
         Function evaluations: 95
Results for this minimization:
  a = 5.608812711201608, total energy = -0.014206744406804915

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: -0.014207
         Iterations: 46
         Function evaluations: 92
Results for this minimization:
  a = 5.608812711239444, total energy = -0.014206744402364746

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: -0.014207
         Iterations: 44
         Function evaluations: 88
Results for this minimization:
  a = 5.608812711155042, total energy = -0.014206744412269684

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: -0.014207
         Iterations: 45
         Function evaluations: 90
Results for this minimization:
  a = 5.608812711152128, total energy = -0.014206744412611695

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: -0.014207
         Iterations: 47
         Function evaluations: 94
Results for this minimization:
  a = 5.6088127112481745, total energy = -0.014206744401340194

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: -0.014207
         Iterations: 47
         Function evaluations: 94
Results for this minimization:
  a = 5.608812711172504, total energy = -0.014206744410220375

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: -0.014207
         Iterations: 50
         Function evaluations: 101
Results for this minimization:
  a = 5.608812711242352, total energy = -0.014206744402023528

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: -0.014207
         Iterations: 49
         Function evaluations: 100
Results for this minimization:
  a = 5.608812711230714, total energy = -0.014206744403389216

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.53148038] Angstroms and c = 3.3071121225552904 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.575569
         Iterations: 76
         Function evaluations: 156
Results for this minimization:
  a = 2.5557024902875254, c = 4.090111521021626, total energy = -17.575569038656926

Attempting to perform relaxation using initial lattice constant guess of a = [2.53148038] Angstroms and c = 3.513806630214996 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.575569
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.555702541486948, c = 4.090111454662239, total energy = -17.575569038656912

Attempting to perform relaxation using initial lattice constant guess of a = [2.53148038] Angstroms and c = 3.7205011378747015 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.575569
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.555702503533932, c = 4.090111577962153, total energy = -17.575569038656916

Attempting to perform relaxation using initial lattice constant guess of a = [2.53148038] Angstroms and c = 3.927195645534407 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.575569
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.555702497820689, c = 4.090111410914872, total energy = -17.575569038656926

Attempting to perform relaxation using initial lattice constant guess of a = [2.53148038] Angstroms and c = 4.133890153194113 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.575569
         Iterations: 65
         Function evaluations: 145
Results for this minimization:
  a = 2.5557025090504384, c = 4.090111493304754, total energy = -17.575569038656933

Attempting to perform relaxation using initial lattice constant guess of a = [2.53148038] Angstroms and c = 4.340584660853818 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.575569
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.5557025112019556, c = 4.090111414998905, total energy = -17.5755690386569

Attempting to perform relaxation using initial lattice constant guess of a = [2.53148038] Angstroms and c = 4.547279168513524 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.575569
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 2.5557025326336835, c = 4.090111416398193, total energy = -17.575569038656923

Attempting to perform relaxation using initial lattice constant guess of a = [2.53148038] Angstroms and c = 4.75397367617323 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.575569
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.555702462484133, c = 4.090111509583929, total energy = -17.575569038656923

Attempting to perform relaxation using initial lattice constant guess of a = [2.53148038] Angstroms and c = 4.960668183832935 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.575569
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 2.555702453624935, c = 4.09011148184514, total energy = -17.575569038656905

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

 Final lattice Constants:
   a = 2.5557025090504384 Angstroms, c = 4.090111493304754 Angstroms, c/a = 1.600386

 Total energy: -17.575569038656933 eV

 Cohesive energy: -4.393892259664233 eV/atom

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