Element = Lattice = Model = Element: Cr
Lattice: hcp
Model: EAM_Dynamo_FarkasCaro_2018_FeNiCrCoCu__MO_803527979660_000
Computed model cutoff of 5.803749997019772 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cr

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

Optimization terminated successfully.
         Current function value: -16.780633
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.4778807549737407, total energy = -16.780632900347978

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: -16.780633
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.477880793367513, total energy = -16.78063290034796

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: -16.780633
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4778807838447388, total energy = -16.78063290034798

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: -16.780633
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.477880796045064, total energy = -16.780632900347904

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: -16.780633
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.477880775462836, total energy = -16.780632900347953

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: -16.780633
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.477880770660704, total energy = -16.780632900347936

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: -16.780633
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.477880764810835, total energy = -16.78063290034793

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: -16.780633
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.477880799025295, total energy = -16.78063290034793

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: -16.780633
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.4778807885944834, total energy = -16.780632900347953

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: -16.780633
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.47788080945611, total energy = -16.7806329003479

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: -16.780633
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4778807703638446, total energy = -16.78063290034793

Attempting to perform relaxation using initial lattice constant guess of a = 3.375 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 = 3.375 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 = 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 3.625 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 = 3.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -16.780633
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4778808103874326, total energy = -16.780632900347907

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: -16.780633
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.4778807900845967, total energy = -16.780632900347936

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: -16.780633
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.4778807550668698, total energy = -16.78063290034796

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: -16.780633
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.477880771341736, total energy = -16.780632900347946

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: -16.780633
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.477880760119294, total energy = -16.78063290034793

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))

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 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 = 4.875 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 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 = 5.0 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))

Optimization terminated successfully.
         Current function value: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.9125, total energy = 0.0

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 6.050000000000001, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.90625, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.0375000000000005, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.875, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.47788078] Angstroms and c = 3.237089900729189 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.790396
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.4959168353650147, c = 3.972011276246162, total energy = -16.790396244098204

Attempting to perform relaxation using initial lattice constant guess of a = [2.47788078] Angstroms and c = 3.4394080195247634 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.790396
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.4959168369438802, c = 3.9720113105569714, total energy = -16.790396244098186

Attempting to perform relaxation using initial lattice constant guess of a = [2.47788078] Angstroms and c = 3.6417261383203376 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.790396
         Iterations: 65
         Function evaluations: 141
Results for this minimization:
  a = 2.49591686145655, c = 3.9720112218738404, total energy = -16.790396244098208

Attempting to perform relaxation using initial lattice constant guess of a = [2.47788078] Angstroms and c = 3.844044257115912 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.790396
         Iterations: 62
         Function evaluations: 139
Results for this minimization:
  a = 2.4959168359531017, c = 3.972011370751222, total energy = -16.790396244098137

Attempting to perform relaxation using initial lattice constant guess of a = [2.47788078] Angstroms and c = 4.046362375911486 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.790396
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.495916857398683, c = 3.97201120167119, total energy = -16.790396244098208

Attempting to perform relaxation using initial lattice constant guess of a = [2.47788078] Angstroms and c = 4.24868049470706 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.790396
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 2.49591688041092, c = 3.972011201991257, total energy = -16.790396244098176

Attempting to perform relaxation using initial lattice constant guess of a = [2.47788078] Angstroms and c = 4.450998613502635 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.790396
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.495916881392528, c = 3.97201117044012, total energy = -16.790396244098158

Attempting to perform relaxation using initial lattice constant guess of a = [2.47788078] Angstroms and c = 4.653316732298209 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.790396
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.4959168452270726, c = 3.9720112246673107, total energy = -16.790396244098176

Attempting to perform relaxation using initial lattice constant guess of a = [2.47788078] Angstroms and c = 4.855634851093783 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -16.790396
         Iterations: 70
         Function evaluations: 155
Results for this minimization:
  a = 2.4959168520172, c = 3.972011178506686, total energy = -16.79039624409819

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

 Final lattice Constants:
   a = 2.49591686145655 Angstroms, c = 3.9720112218738404 Angstroms, c/a = 1.591404

 Total energy: -16.790396244098208 eV

 Cohesive energy: -4.197599061024552 eV/atom

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