Element = Lattice = Model = Element: Zr
Lattice: hcp
Model: MEAM_LAMMPS_KangSaLee_2009_ZrAgCu__MO_813575892799_000
Computed model cutoff of 5.000000004544876 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))

Optimization terminated successfully.
         Current function value: -25.440000
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.199999981373553, total energy = -25.440000000229205

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: -25.440000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1999999706167728, total energy = -25.44000000022919

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: -25.440000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.1999999955296516, total energy = -25.440000000229194

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: -25.440000
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.2000000093132335, total energy = -25.440000000229194

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: -25.440000
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.199999996460978, total energy = -25.440000000229197

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: -25.440000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.1999999642372154, total energy = -25.44000000022918

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: -25.440000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.1999999945750464, total energy = -25.440000000229197

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: -25.440000
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.2000000050175004, total energy = -25.440000000229194

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: -25.440000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.1999999850988425, total energy = -25.440000000229194

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: -25.440000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.200000011525119, total energy = -25.44000000022919

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: -25.440000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.1999999903142458, total energy = -25.440000000229194

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: -25.440000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.1999999937601373, total energy = -25.44000000022919

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: -25.440000
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.2000000020489097, total energy = -25.44000000022919

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: -25.440000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.199999997019769, total energy = -25.440000000229194

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: -25.440000
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.199999997019769, total energy = -25.440000000229187

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: -25.440000
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.1999999867752194, total energy = -25.440000000229197

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: -25.440000
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.1999999925494196, total energy = -25.44000000022919

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: -25.440000
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.199999990174547, total energy = -25.440000000229194

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: -25.440000
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.1999999935971575, total energy = -25.440000000229194

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: -25.440000
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.1999999735504394, total energy = -25.44000000022919

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: -25.440000
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.199999989196658, total energy = -25.44000000022919

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: -25.440000
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.2000000042840826, total energy = -25.440000000229194

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: -25.440000
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.1999999908730388, total energy = -25.44000000022919

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: -25.440000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.1999999854713663, total energy = -25.440000000229194

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: -25.440000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.200000005960464, total energy = -25.44000000022919

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: -25.440000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.1999999908730397, total energy = -25.440000000229197

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: -25.440000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.199999998463316, total energy = -25.44000000022919

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: -25.440000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.1999999861509423, total energy = -25.440000000229197

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: -25.440000
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.1999999829800774, total energy = -25.440000000229194

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: -25.440000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.199999996722908, total energy = -25.4400000002292

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: -25.440000
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.19999999376014, total energy = -25.4400000002292

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: -25.440000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.199999983324957, total energy = -25.4400000002292

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: -25.440000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1999999852851033, total energy = -25.4400000002292

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: -25.440000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.1999999896157494, total energy = -25.440000000229194

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.19999998] Angstroms and c = 4.18046247001647 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.455477
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 3.230803985541818, c = 5.1252337255932146, total energy = -25.45547650810524

Attempting to perform relaxation using initial lattice constant guess of a = [3.19999998] Angstroms and c = 4.441741374392499 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.455477
         Iterations: 77
         Function evaluations: 162
Results for this minimization:
  a = 3.230803995541741, c = 5.12523370893954, total energy = -25.45547650810524

Attempting to perform relaxation using initial lattice constant guess of a = [3.19999998] Angstroms and c = 4.703020278768528 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.455477
         Iterations: 69
         Function evaluations: 143
Results for this minimization:
  a = 3.230803986758309, c = 5.1252337242251365, total energy = -25.455476508105242

Attempting to perform relaxation using initial lattice constant guess of a = [3.19999998] Angstroms and c = 4.964299183144557 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.455477
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.2308039804696023, c = 5.125233747047346, total energy = -25.455476508105235

Attempting to perform relaxation using initial lattice constant guess of a = [3.19999998] Angstroms and c = 5.225578087520586 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.455477
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 3.2308039792775047, c = 5.12523373992839, total energy = -25.45547650810524

Attempting to perform relaxation using initial lattice constant guess of a = [3.19999998] Angstroms and c = 5.486856991896615 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.455477
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 3.230803974292202, c = 5.125233732085645, total energy = -25.45547650810524

Attempting to perform relaxation using initial lattice constant guess of a = [3.19999998] Angstroms and c = 5.748135896272644 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.455477
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 3.230803974607889, c = 5.125233755443526, total energy = -25.45547650810524

Attempting to perform relaxation using initial lattice constant guess of a = [3.19999998] Angstroms and c = 6.009414800648673 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.455477
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 3.2308040034124894, c = 5.12523368705024, total energy = -25.455476508105235

Attempting to perform relaxation using initial lattice constant guess of a = [3.19999998] Angstroms and c = 6.270693705024702 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -25.455477
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 3.2308039628644325, c = 5.125233758570597, total energy = -25.455476508105228

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

 Final lattice Constants:
   a = 3.230803986758309 Angstroms, c = 5.1252337242251365 Angstroms, c/a = 1.586365

 Total energy: -25.455476508105242 eV

 Cohesive energy: -6.363869127026311 eV/atom

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