Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005
Computed model cutoff of 5.999654209427576 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 "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))

Optimization terminated successfully.
         Current function value: -13.105145
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.572697692108346, total energy = -13.105145353851276

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: -13.105145
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.57269765804522, total energy = -13.105145353851276

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: -13.105145
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.572697660047563, total energy = -13.105145353851329

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: -13.105145
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.572697656601669, total energy = -13.105145353851281

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: -13.105145
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.572697650641203, total energy = -13.105145353851283

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: -13.105145
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.572697663493456, total energy = -13.105145353851308

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: -13.105145
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.572697676718236, total energy = -13.105145353851285

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: -13.105145
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.5726976428180928, total energy = -13.105145353851244

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: -13.105145
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.5726976709585867, total energy = -13.105145353851272

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: -13.105145
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.5726976692676544, total energy = -13.105145353851277

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: -13.105145
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.5726976835750985, total energy = -13.105145353851269

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: -13.105145
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.572697634994984, total energy = -13.10514535385128

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: -13.105145
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.572697648499161, total energy = -13.105145353851283

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: -13.105145
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.572697658045216, total energy = -13.105145353851244

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: -13.105145
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5726976760779507, total energy = -13.10514535385129

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: -13.105145
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5726976600475613, total energy = -13.105145353851336

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: -13.105145
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.572697660420089, total energy = -13.105145353851272

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: -13.105145
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.572697656601667, total energy = -13.105145353851286

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: -13.105145
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.5726976767182332, total energy = -13.105145353851285

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: -13.105145
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.57269765046658, total energy = -13.105145353851244

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: -13.105145
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.5726976804435218, total energy = -13.105145353851242

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: -13.105145
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5726976634934537, total energy = -13.105145353851308

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: -13.105145
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5726976349949853, total energy = -13.105145353851283

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: -13.105145
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.5726976767182324, total energy = -13.105145353851285

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: -13.105145
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.5726976088481024, total energy = -13.105145353851185

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: -13.105145
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.572697664663424, total energy = -13.105145353851313

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: -13.105145
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.5726976730860756, total energy = -13.105145353851237

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: -13.105145
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.572697670350318, total energy = -13.105145353851249

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: -13.105145
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.5726976748788695, total energy = -13.105145353851317

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: -13.105145
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5726976692676544, total energy = -13.105145353851295

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: -13.105145
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.5726976434103515, total energy = -13.105145353851283

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: -13.105145
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.572697672146022, total energy = -13.105145353851285

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: -13.105145
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.5726976192207096, total energy = -13.105145353851203

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: -13.105145
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.572697650361803, total energy = -13.105145353851263

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: -13.105145
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.57269766042009, total energy = -13.105145353851265

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: -13.105145
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.572697661351407, total energy = -13.105145353851293

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: -13.105145
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.572697636298833, total energy = -13.105145353851226

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.300000000000001, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 3.3609581491033524 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.568900696810351, c = 4.211179318108909, total energy = -13.105455496792022

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 3.571018033422312 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 62
         Function evaluations: 139
Results for this minimization:
  a = 2.56890073319932, c = 4.2111792622025765, total energy = -13.105455496792052

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 3.7810779177412717 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.5689007316863393, c = 4.211179313292422, total energy = -13.105455496792047

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 3.9911378020602313 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 70
         Function evaluations: 145
Results for this minimization:
  a = 2.568900726041182, c = 4.211179118316279, total energy = -13.105455496791958

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 4.20119768637919 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.568900735507868, c = 4.211179328815438, total energy = -13.105455496792052

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 4.411257570698151 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 2.568900712718893, c = 4.2111793506738815, total energy = -13.105455496792048

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 4.62131745501711 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 69
         Function evaluations: 145
Results for this minimization:
  a = 2.5689007449993406, c = 4.211179313351758, total energy = -13.105455496792018

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 4.83137733933607 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.5689007439198193, c = 4.211179326700838, total energy = -13.105455496792084

Attempting to perform relaxation using initial lattice constant guess of a = [2.57269766] Angstroms and c = 5.041437223655029 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.105455
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.5689007037028175, c = 4.211179295813783, total energy = -13.105455496792073

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

 Final lattice Constants:
   a = 2.5689007439198193 Angstroms, c = 4.211179326700838 Angstroms, c/a = 1.639292

 Total energy: -13.105455496792084 eV

 Cohesive energy: -3.276363874198021 eV/atom

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