Element = Lattice = Model = Element: Ni
Lattice: hcp
Model: MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_000
Computed model cutoff of 5.000000004544876 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))

Optimization terminated successfully.
         Current function value: -17.831430
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.4891219623386887, total energy = -17.831429816469537

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: -17.831430
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.489121963840443, total energy = -17.83142981646954

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: -17.831430
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.4891219567507505, total energy = -17.83142981646953

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: -17.831430
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4891219618264637, total energy = -17.831429816469537

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: -17.831430
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4891219535376887, total energy = -17.831429816469537

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: -17.831430
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4891219638288034, total energy = -17.831429816469537

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: -17.831430
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.489121952001006, total energy = -17.83142981646953

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: -17.831430
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.4891219567507505, total energy = -17.831429816469534

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: -17.831430
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4891219496726995, total energy = -17.831429816469534

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: -17.831430
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.489121946692468, total energy = -17.831429816469534

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: -17.831430
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.4891219636308968, total energy = -17.831429816469534

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: -17.831430
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.489121971745045, total energy = -17.83142981646953

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: -17.831430
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.4891219567507505, total energy = -17.83142981646954

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: -17.831430
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.489121961779891, total energy = -17.831429816469537

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: -17.831430
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.489121954143047, total energy = -17.83142981646953

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: -17.831430
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.489121960848568, total energy = -17.83142981646953

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: -17.831430
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.489121953537685, total energy = -17.831429816469537

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: -17.831430
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.4891219567507505, total energy = -17.831429816469537

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: -17.831430
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.4891219638288016, total energy = -17.831429816469537

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: -17.831430
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.489121969917322, total energy = -17.831429816469534

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: -17.831430
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.489121952652931, total energy = -17.83142981646953

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: -17.831430
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.489121960592454, total energy = -17.83142981646953

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: -17.831430
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.4891219567507505, total energy = -17.83142981646954

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: -17.831430
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.4891219534911184, total energy = -17.831429816469537

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: -17.831430
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.4891219608485677, total energy = -17.831429816469534

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: -17.831430
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.489121960802005, total energy = -17.831429816469537

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: -17.831430
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.4891219593584513, total energy = -17.831429816469537

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: -17.831430
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.4891219476412516, total energy = -17.831429816469534

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: -17.831430
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.489121963683278, total energy = -17.831429816469537

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: -17.831430
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.489121955307199, total energy = -17.831429816469534

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: -17.831430
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.4891219598008347, total energy = -17.831429816469537

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: -17.831430
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.489121969882396, total energy = -17.831429816469534

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: -17.831430
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.489121962338686, total energy = -17.83142981646953

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: -17.831430
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.4891219617798868, total energy = -17.83142981646954

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.48912196] Angstroms and c = 3.251775316780526 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.831833
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.4928566093656226, c = 4.052533530694475, total energy = -17.831832798733657

Attempting to perform relaxation using initial lattice constant guess of a = [2.48912196] Angstroms and c = 3.455011274079309 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.831833
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.4928565923163513, c = 4.052533559277802, total energy = -17.831832798733657

Attempting to perform relaxation using initial lattice constant guess of a = [2.48912196] Angstroms and c = 3.6582472313780916 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.831833
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.4928565875731628, c = 4.052533581889944, total energy = -17.831832798733664

Attempting to perform relaxation using initial lattice constant guess of a = [2.48912196] Angstroms and c = 3.8614831886768743 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.831833
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.49285658797682, c = 4.0525335611345605, total energy = -17.831832798733664

Attempting to perform relaxation using initial lattice constant guess of a = [2.48912196] Angstroms and c = 4.064719145975657 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.831833
         Iterations: 67
         Function evaluations: 137
Results for this minimization:
  a = 2.492856581106147, c = 4.052533613508481, total energy = -17.83183279873366

Attempting to perform relaxation using initial lattice constant guess of a = [2.48912196] Angstroms and c = 4.26795510327444 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.831833
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 2.492856586209779, c = 4.052533586185488, total energy = -17.831832798733664

Attempting to perform relaxation using initial lattice constant guess of a = [2.48912196] Angstroms and c = 4.471191060573222 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.831833
         Iterations: 66
         Function evaluations: 146
Results for this minimization:
  a = 2.492856595386736, c = 4.052533585856789, total energy = -17.831832798733664

Attempting to perform relaxation using initial lattice constant guess of a = [2.48912196] Angstroms and c = 4.674427017872006 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.831833
         Iterations: 69
         Function evaluations: 156
Results for this minimization:
  a = 2.492856592920071, c = 4.052533523731734, total energy = -17.831832798733654

Attempting to perform relaxation using initial lattice constant guess of a = [2.48912196] Angstroms and c = 4.877662975170788 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -17.831833
         Iterations: 77
         Function evaluations: 158
Results for this minimization:
  a = 2.49285658624392, c = 4.052533537225983, total energy = -17.831832798733654

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

 Final lattice Constants:
   a = 2.4928565875731628 Angstroms, c = 4.052533581889944 Angstroms, c/a = 1.625659

 Total energy: -17.831832798733664 eV

 Cohesive energy: -4.457958199683416 eV/atom

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