Element = Lattice = Model = Element: Y
Lattice: hcp
Model: MEAM_LAMMPS_KoLee_2013_VPdY__MO_046547823135_000
Computed model cutoff of 5.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Y

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

Optimization terminated successfully.
         Current function value: -17.468000
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.6080796838738074, total energy = -17.468000046310777

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -17.468000
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.6080796891474156, total energy = -17.468000046310774

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: -17.468000
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.608079662080854, total energy = -17.46800004631077

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: -17.468000
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.6080796834081514, total energy = -17.468000046310777

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: -17.468000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.608079707622532, total energy = -17.46800004631076

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: -17.468000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.6080796420574215, total energy = -17.46800004631076

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: -17.468000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6080796964466573, total energy = -17.468000046310767

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: -17.468000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.608079683035612, total energy = -17.468000046310767

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: -17.468000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.6080797076225313, total energy = -17.468000046310767

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: -17.468000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6080796465277682, total energy = -17.468000046310763

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: -17.468000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6080796928144996, total energy = -17.468000046310774

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6080796724534565, total energy = -17.468000046310774

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: -17.468000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.608079686295241, total energy = -17.468000046310774

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.608079692535105, total energy = -17.46800004631077

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: -17.468000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.6080796793103254, total energy = -17.468000046310774

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: -17.468000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.6080796692520387, total energy = -17.46800004631077

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: -17.468000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.608079662919045, total energy = -17.468000046310777

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: -17.468000
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.6080796690657735, total energy = -17.468000046310774

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: -17.468000
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.6080796699039643, total energy = -17.46800004631077

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: -17.468000
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 3.608079675212502, total energy = -17.468000046310767

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: -17.468000
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.608079675748013, total energy = -17.468000046310774

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: -17.468000
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.6080796766676935, total energy = -17.468000046310774

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: -17.468000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.608079702593386, total energy = -17.468000046310763

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: -17.468000
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.6080796679249034, total energy = -17.46800004631077

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: -17.468000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.608079689927399, total energy = -17.468000046310774

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: -17.468000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.608079660037766, total energy = -17.46800004631077

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: -17.468000
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.6080796987749624, total energy = -17.468000046310763

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: -17.468000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6080796821042895, total energy = -17.468000046310774

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: -17.468000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.60807970203459, total energy = -17.46800004631077

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: -17.468000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.608079659938811, total energy = -17.468000046310763

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6080796790891343, total energy = -17.468000046310777

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: -17.468000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6080796953290686, total energy = -17.46800004631077

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: -17.468000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.608079683035612, total energy = -17.46800004631077

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.60807967856526, total energy = -17.468000046310774

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.608079692535102, total energy = -17.46800004631077

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: -17.468000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.6080796830356126, total energy = -17.468000046310767

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: -17.468000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.6080796957015964, total energy = -17.46800004631077

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: -17.468000
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.608079694909975, total energy = -17.46800004631078

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: -17.468000
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.608079699374499, total energy = -17.46800004631077

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.608079701662062, total energy = -17.468000046310763

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: -17.468000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.6080796897411282, total energy = -17.468000046310767

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.60807969] Angstroms and c = 4.713575575373996 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482817
         Iterations: 74
         Function evaluations: 161
Results for this minimization:
  a = 3.646404347634314, c = 5.761808582083072, total energy = -17.48281714965082

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807969] Angstroms and c = 5.008174048834871 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482817
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 3.646404314297753, c = 5.761808659458619, total energy = -17.48281714965082

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807969] Angstroms and c = 5.302772522295745 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482817
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.6464043287005143, c = 5.761808645734867, total energy = -17.482817149650824

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807969] Angstroms and c = 5.59737099575662 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482817
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.646404336979473, c = 5.761808626853359, total energy = -17.482817149650828

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807969] Angstroms and c = 5.891969469217495 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482817
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.6464043492965645, c = 5.761808646491563, total energy = -17.482817149650828

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807969] Angstroms and c = 6.186567942678369 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482817
         Iterations: 73
         Function evaluations: 152
Results for this minimization:
  a = 3.646404331763267, c = 5.76180861121267, total energy = -17.482817149650824

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807969] Angstroms and c = 6.481166416139244 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482817
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 3.6464043183245574, c = 5.761808576889149, total energy = -17.48281714965082

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807969] Angstroms and c = 6.775764889600119 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482817
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 3.6464043133580373, c = 5.761808609456016, total energy = -17.48281714965082

Attempting to perform relaxation using initial lattice constant guess of a = [3.60807969] Angstroms and c = 7.070363363060993 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.482817
         Iterations: 69
         Function evaluations: 154
Results for this minimization:
  a = 3.6464043310861003, c = 5.76180857475563, total energy = -17.48281714965082

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

 Final lattice Constants:
   a = 3.646404336979473 Angstroms, c = 5.761808626853359 Angstroms, c/a = 1.580134

 Total energy: -17.482817149650828 eV

 Cohesive energy: -4.370704287412707 eV/atom

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