Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
Computed model cutoff of 5.435329575836671 Angstroms
Computed isolated atomic energy of 0.0 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))

Optimization terminated successfully.
         Current function value: -17.560055
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.4923037085682154, total energy = -17.560054818245238

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.560055
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.492303673177963, total energy = -17.560054818245206

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: -17.560055
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.492303707636895, total energy = -17.56005481824524

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: -17.560055
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.492303661629558, total energy = -17.560054818245177

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: -17.560055
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.492303741723299, total energy = -17.560054818245188

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: -17.560055
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.492303704842925, total energy = -17.560054818245238

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: -17.560055
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.49230368435383, total energy = -17.560054818245213

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: -17.560055
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.492303707345856, total energy = -17.560054818245273

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: -17.560055
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4923037014901643, total energy = -17.56005481824524

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: -17.560055
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.492303727567195, total energy = -17.560054818245224

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: -17.560055
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.492303714156151, total energy = -17.56005481824522

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: -17.560055
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.492303706274834, total energy = -17.560054818245234

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: -17.560055
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.492303713131696, total energy = -17.560054818245263

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: -17.560055
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.492303707345854, total energy = -17.56005481824527

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: -17.560055
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.492303701490162, total energy = -17.560054818245256

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: -17.560055
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.492303708495456, total energy = -17.560054818245234

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: -17.560055
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4923037138418285, total energy = -17.560054818245213

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: -17.560055
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.492303701490163, total energy = -17.560054818245245

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: -17.560055
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.492303741723298, total energy = -17.56005481824519

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: -17.560055
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.4923037004074997, total energy = -17.560054818245252

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: -17.560055
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.492303704842925, total energy = -17.560054818245245

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: -17.560055
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.4923037108062958, total energy = -17.560054818245234

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: -17.560055
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.492303723096846, total energy = -17.560054818245224

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: -17.560055
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.492303693667056, total energy = -17.560054818245217

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: -17.560055
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.4923037073458523, total energy = -17.56005481824526

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: -17.560055
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4923037102271337, total energy = -17.560054818245227

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: -17.560055
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.4923037016997065, total energy = -17.56005481824523

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: -17.560055
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.4923036986961953, total energy = -17.560054818245234

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: -17.560055
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.492303727567197, total energy = -17.560054818245245

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: -17.560055
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.492303700372573, total energy = -17.560054818245217

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: -17.560055
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.492303714156151, total energy = -17.56005481824522

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: -17.560055
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4923036919673844, total energy = -17.560054818245245

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: -17.560055
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.4923037070082485, total energy = -17.560054818245256

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: -17.560055
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.492303685960361, total energy = -17.56005481824521

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: -17.560055
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.4923037469387017, total energy = -17.5600548182452

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.49230371] Angstroms and c = 3.25593192909022 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.569807
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 2.4788678806167166, c = 4.177623641703946, total energy = -17.5698065102876

Attempting to perform relaxation using initial lattice constant guess of a = [2.49230371] Angstroms and c = 3.4594276746583583 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.569807
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 2.4788679005871765, c = 4.1776238605451095, total energy = -17.56980651028763

Attempting to perform relaxation using initial lattice constant guess of a = [2.49230371] Angstroms and c = 3.662923420226497 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.569807
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.4788678872670324, c = 4.177623916152074, total energy = -17.569806510287616

Attempting to perform relaxation using initial lattice constant guess of a = [2.49230371] Angstroms and c = 3.8664191657946354 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.569807
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 2.4788678804743567, c = 4.177623824247124, total energy = -17.569806510287634

Attempting to perform relaxation using initial lattice constant guess of a = [2.49230371] Angstroms and c = 4.069914911362774 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.569807
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.478867902274213, c = 4.1776238123581315, total energy = -17.569806510287645

Attempting to perform relaxation using initial lattice constant guess of a = [2.49230371] Angstroms and c = 4.2734106569309125 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.569807
         Iterations: 62
         Function evaluations: 139
Results for this minimization:
  a = 2.478867922966417, c = 4.177623826876241, total energy = -17.56980651028761

Attempting to perform relaxation using initial lattice constant guess of a = [2.49230371] Angstroms and c = 4.476906402499051 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.569807
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.47886789260911, c = 4.177623922431222, total energy = -17.569806510287624

Attempting to perform relaxation using initial lattice constant guess of a = [2.49230371] Angstroms and c = 4.68040214806719 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.569807
         Iterations: 70
         Function evaluations: 148
Results for this minimization:
  a = 2.4788678893743965, c = 4.177623843050976, total energy = -17.569806510287645

Attempting to perform relaxation using initial lattice constant guess of a = [2.49230371] Angstroms and c = 4.883897893635329 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.569807
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 2.4788679046080095, c = 4.17762383875749, total energy = -17.56980651028763

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

 Final lattice Constants:
   a = 2.478867902274213 Angstroms, c = 4.1776238123581315 Angstroms, c/a = 1.685295

 Total energy: -17.569806510287645 eV

 Cohesive energy: -4.392451627571911 eV/atom

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