Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_000
Computed model cutoff of 5.803750003874307 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

==============================================================================
==============================================================================
 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: -14.125530
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.5517753813415784, total energy = -14.125529706083016

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: -14.125530
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.551775354985149, total energy = -14.12552970608304

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: -14.125530
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5517753463238484, total energy = -14.125529706082991

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: -14.125530
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.5517753571271893, total energy = -14.125529706083002

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: -14.125530
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5517753792228177, total energy = -14.125529706082993

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: -14.125530
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5517753530992198, total energy = -14.12552970608303

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: -14.125530
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5517753512132906, total energy = -14.125529706083023

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: -14.125530
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.551775332682881, total energy = -14.125529706082968

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: -14.125530
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5517753385007373, total energy = -14.125529706082963

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: -14.125530
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5517753697931767, total energy = -14.125529706083059

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: -14.125530
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.5517753530992193, total energy = -14.12552970608303

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: -14.125530
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.551775346323847, total energy = -14.125529706082979

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: -5.738162
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 3.8066037821001375, total energy = -5.738161697949943

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: -14.125530
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.551775386556983, total energy = -14.125529706083002

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: -5.738162
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.8066037699580186, total energy = -5.738161697949937

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: -5.738162
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.8066037699580186, total energy = -5.738161697949936

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: -14.125530
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.551775351213293, total energy = -14.125529706082997

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: -14.125530
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.5517753549851454, total energy = -14.125529706083025

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: -14.125530
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.551775327185169, total energy = -14.125529706083013

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: -14.125530
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5517753329127983, total energy = -14.125529706082974

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))

Optimization terminated successfully.
         Current function value: -0.046003
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 5.346432716678827, total energy = -0.046002832691620775

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: -0.046003
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 5.346432715887204, total energy = -0.046002832691620775

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: -0.046003
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 5.346432718168945, total energy = -0.046002832691620775

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: -0.046003
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 5.346432717656716, total energy = -0.046002832691620775

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: -0.046003
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 5.346432715957053, total energy = -0.046002832691620775

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: -0.046003
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 5.346432712674142, total energy = -0.04600283269162077

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: -0.046003
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.3464327161200345, total energy = -0.046002832691620775

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: -0.046003
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 5.346432717330753, total energy = -0.046002832691620775

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 = [2.55177537] Angstroms and c = 3.33362538357074 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.125722
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 2.5486326743335654, c = 4.177865245059428, total energy = -14.12572224497944

Attempting to perform relaxation using initial lattice constant guess of a = [2.55177537] Angstroms and c = 3.5419769700439114 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.125722
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.5486326921029727, c = 4.1778653633006915, total energy = -14.125722244979471

Attempting to perform relaxation using initial lattice constant guess of a = [2.55177537] Angstroms and c = 3.7503285565170827 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.125722
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 2.5486326835503696, c = 4.177865394115576, total energy = -14.125722244979448

Attempting to perform relaxation using initial lattice constant guess of a = [2.55177537] Angstroms and c = 3.958680142990254 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.125722
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.548632704740586, c = 4.177865199546609, total energy = -14.125722244979452

Attempting to perform relaxation using initial lattice constant guess of a = [2.55177537] Angstroms and c = 4.167031729463425 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.125722
         Iterations: 73
         Function evaluations: 158
Results for this minimization:
  a = 2.5486327198297074, c = 4.177865433088311, total energy = -14.125722244979434

Attempting to perform relaxation using initial lattice constant guess of a = [2.55177537] Angstroms and c = 4.375383315936597 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.125722
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.5486327023484088, c = 4.177865248309932, total energy = -14.12572224497946

Attempting to perform relaxation using initial lattice constant guess of a = [2.55177537] Angstroms and c = 4.583734902409768 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.125722
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.5486326936796146, c = 4.177865274436647, total energy = -14.125722244979446

Attempting to perform relaxation using initial lattice constant guess of a = [2.55177537] Angstroms and c = 4.792086488882939 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.125722
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.548632684800269, c = 4.177865378835773, total energy = -14.12572224497945

Attempting to perform relaxation using initial lattice constant guess of a = [2.55177537] Angstroms and c = 5.000438075356111 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.125722
         Iterations: 78
         Function evaluations: 167
Results for this minimization:
  a = 2.54863265184581, c = 4.177865336173872, total energy = -14.125722244979452

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

 Final lattice Constants:
   a = 2.5486326921029727 Angstroms, c = 4.1778653633006915 Angstroms, c/a = 1.639258

 Total energy: -14.125722244979471 eV

 Cohesive energy: -3.5314305612448678 eV/atom

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