Element = Lattice = Model = Element: Zr
Lattice: hcp
Model: EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005
Computed model cutoff of 7.599287797659644 Angstroms
Computed isolated atomic energy of 0.0 eV for species Zr

==============================================================================
==============================================================================
 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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.25 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 = 2.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -25.875525
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.2110739785828617, total energy = -25.875524664551346

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: -25.875525
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.2110739497002214, total energy = -25.875524664551254

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: -25.875525
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.211073952791049, total energy = -25.875524664551385

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: -25.875525
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2110739631811174, total energy = -25.875524664551346

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: -25.875525
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.2110739707946783, total energy = -25.8755246645513

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: -25.875525
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.2110740065574657, total energy = -25.875524664551367

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: -25.875525
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.211073954589665, total energy = -25.87552466455142

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: -25.875525
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.2110740242525937, total energy = -25.875524664551275

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: -25.875525
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.211073957942426, total energy = -25.875524664551335

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: -25.875525
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.211074027232826, total energy = -25.87552466455129

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: -25.875525
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.2110739872499825, total energy = -25.875524664551286

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: -25.875525
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.2110740272328258, total energy = -25.875524664551243

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: -25.875525
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.2110739655792697, total energy = -25.875524664551314

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: -25.875525
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.2110739696770914, total energy = -25.875524664551353

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: -25.875525
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.211073910933921, total energy = -25.875524664551275

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: -25.875525
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.2110740078613147, total energy = -25.875524664551293

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 "kim_model.compute" failed.

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 "kim_model.compute" failed.

Continuing...


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: -25.875525
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.2110739527561236, total energy = -25.87552466455131

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: -25.875525
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.2110739792464313, total energy = -25.87552466455127

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: -25.875525
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.211073926789684, total energy = -25.875524664551293

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: -25.875525
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 3.2110739778727293, total energy = -25.875524664551296

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: -25.875525
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.211073931469578, total energy = -25.87552466455124

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: -25.875525
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.211073952791047, total energy = -25.875524664551378

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: -25.875525
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.211073932982983, total energy = -25.875524664551286

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: -0.414431
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 6.024374909698965, total energy = -0.414431093544736

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: -0.414431
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 6.024374920874834, total energy = -0.414431093544736

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: -0.414431
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 6.024374920874834, total energy = -0.414431093544736

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: -0.414431
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 6.024374915659427, total energy = -0.414431093544736

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.414431
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 6.024374914169311, total energy = -0.414431093544736

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.414431
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 6.024374905601144, total energy = -0.414431093544736

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.414431
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 6.024374905973673, total energy = -0.414431093544736

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.414431
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 6.024374916404484, total energy = -0.414431093544736

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 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 = 6.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.625 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 = 6.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.75 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 = 6.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -0.414431
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 6.024374909698963, total energy = -0.414431093544736

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 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 = 7.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 7.125 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 = 7.8375, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 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 = 7.612500000000001, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 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 = 7.74375, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 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 = 7.875, total energy = 0.0

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 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 = 7.625, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.21107395] Angstroms and c = 4.194929448045654 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.877064
         Iterations: 81
         Function evaluations: 169
Results for this minimization:
  a = 3.220298365980374, c = 5.215207156904286, total energy = -25.87706357892253

Attempting to perform relaxation using initial lattice constant guess of a = [3.21107395] Angstroms and c = 4.4571125385485075 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.877064
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 3.220298527283818, c = 5.215206951362318, total energy = -25.87706357892262

Attempting to perform relaxation using initial lattice constant guess of a = [3.21107395] Angstroms and c = 4.719295629051361 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.877064
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 3.2202985040465877, c = 5.215207005293953, total energy = -25.877063578922684

Attempting to perform relaxation using initial lattice constant guess of a = [3.21107395] Angstroms and c = 4.9814787195542145 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.877064
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 3.2202984858078043, c = 5.215207111567434, total energy = -25.877063578922577

Attempting to perform relaxation using initial lattice constant guess of a = [3.21107395] Angstroms and c = 5.243661810057068 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.877064
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.220298466147451, c = 5.215207066430126, total energy = -25.877063578922666

Attempting to perform relaxation using initial lattice constant guess of a = [3.21107395] Angstroms and c = 5.5058449005599215 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.877064
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.2202985475688646, c = 5.215207008811066, total energy = -25.877063578922566

Attempting to perform relaxation using initial lattice constant guess of a = [3.21107395] Angstroms and c = 5.768027991062775 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.877064
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 3.2202984295368156, c = 5.215207077778256, total energy = -25.877063578922613

Attempting to perform relaxation using initial lattice constant guess of a = [3.21107395] Angstroms and c = 6.0302110815656285 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.877064
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 3.2202985241213335, c = 5.215207076325768, total energy = -25.877063578922627

Attempting to perform relaxation using initial lattice constant guess of a = [3.21107395] Angstroms and c = 6.292394172068482 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.877064
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 3.220298489327954, c = 5.215207032954222, total energy = -25.877063578922634

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

 Final lattice Constants:
   a = 3.2202985040465877 Angstroms, c = 5.215207005293953 Angstroms, c/a = 1.619479

 Total energy: -25.877063578922684 eV

 Cohesive energy: -6.469265894730671 eV/atom

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