Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
Computed model cutoff of 5.803749997019772 Angstroms
Computed isolated atomic energy of 0.0 eV for species Al

==============================================================================
==============================================================================
 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: -13.325800
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.902275651320816, total energy = -13.325800181302679

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: -13.325800
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.902275655884294, total energy = -13.325800181302682

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: -13.325800
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9022756517515518, total energy = -13.325800181302654

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: -13.325800
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9022756557911644, total energy = -13.32580018130268

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: -13.325800
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9022756316233433, total energy = -13.325800181302647

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: -13.325800
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9022756800986826, total energy = -13.325800181302657

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: -13.325800
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.902275626733899, total energy = -13.325800181302629

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: -13.325800
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9022756476479117, total energy = -13.325800181302656

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: -13.325800
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.902275648992508, total energy = -13.325800181302665

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: -13.325800
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.902275637988349, total energy = -13.325800181302665

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: -13.325800
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.902275593124795, total energy = -13.325800181302597

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: -13.325800
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.9022756294347336, total energy = -13.325800181302625

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: -13.325800
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.902275633998215, total energy = -13.325800181302657

Attempting to perform relaxation using initial lattice constant guess of a = 3.875 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 = 3.875 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 = 4.0 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 = 4.0 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 = 4.125 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 = 4.125 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 = 4.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -2.013603
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 4.466112782806157, total energy = -2.013602968018403

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))

Optimization terminated successfully.
         Current function value: -2.013603
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 4.4661127835512175, total energy = -2.013602968018403

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: -13.325800
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.902275662550527, total energy = -13.325800181302661

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: -2.013603
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.46611278578639, total energy = -2.013602968018403

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: -13.325800
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9022756365826323, total energy = -13.325800181302693

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 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 = 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 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 = 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 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 = 5.375 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 = 5.375 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 = 5.5 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 = 5.5 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 = 5.625 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 = 5.625 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 = 5.75 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 = 5.75 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 = 5.875 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 = 5.875 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...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.90227564] Angstroms and c = 3.7915170146872943 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.405185
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.813263975368176, c = 4.967800844224302, total energy = -13.405184744284279

Attempting to perform relaxation using initial lattice constant guess of a = [2.90227564] Angstroms and c = 4.02848682810525 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.405185
         Iterations: 78
         Function evaluations: 162
Results for this minimization:
  a = 2.8132639768748726, c = 4.967800850599641, total energy = -13.4051847442843

Attempting to perform relaxation using initial lattice constant guess of a = [2.90227564] Angstroms and c = 4.2654566415232065 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.405185
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 2.813263901861806, c = 4.967800944138571, total energy = -13.405184744284258

Attempting to perform relaxation using initial lattice constant guess of a = [2.90227564] Angstroms and c = 4.502426454941162 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.405185
         Iterations: 79
         Function evaluations: 165
Results for this minimization:
  a = 2.8132639659078715, c = 4.967800832877405, total energy = -13.405184744284272

Attempting to perform relaxation using initial lattice constant guess of a = [2.90227564] Angstroms and c = 4.739396268359117 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.405185
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.8132639577249887, c = 4.967800907505332, total energy = -13.405184744284272

Attempting to perform relaxation using initial lattice constant guess of a = [2.90227564] Angstroms and c = 4.976366081777074 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.405185
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.8132639660570007, c = 4.967800767838456, total energy = -13.405184744284277

Attempting to perform relaxation using initial lattice constant guess of a = [2.90227564] Angstroms and c = 5.21333589519503 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.405185
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.8132639389637095, c = 4.967800889504249, total energy = -13.405184744284279

Attempting to perform relaxation using initial lattice constant guess of a = [2.90227564] Angstroms and c = 5.450305708612985 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.405185
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.8132639508320914, c = 4.96780089113002, total energy = -13.405184744284272

Attempting to perform relaxation using initial lattice constant guess of a = [2.90227564] Angstroms and c = 5.687275522030941 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.405185
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.8132639529767953, c = 4.967800900393348, total energy = -13.405184744284275

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

 Final lattice Constants:
   a = 2.8132639768748726 Angstroms, c = 4.967800850599641 Angstroms, c/a = 1.765850

 Total energy: -13.4051847442843 eV

 Cohesive energy: -3.351296186071075 eV/atom

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