Element = Lattice = Model = Element: Sn
Lattice: hcp
Model: Sim_LAMMPS_MEAM_VellaChenStillinger_2017_Sn__SM_629915663723_000
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Sn

==============================================================================
==============================================================================
 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: -12.239583
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.3896815896034287, total energy = -12.239583390423013

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: -12.239583
         Iterations: 41
         Function evaluations: 88
Results for this minimization:
  a = 3.389681593968998, total energy = -12.239583390423018

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: -12.239583
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.38968157581985, total energy = -12.239583390423014

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: -12.239583
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.389681579684848, total energy = -12.239583390423016

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: -12.239583
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.3896815940737763, total energy = -12.239583390423013

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: -12.239583
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.389681577915328, total energy = -12.239583390423016

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: -12.239583
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.3896815747022626, total energy = -12.239583390423011

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: -12.239583
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.3896815851330757, total energy = -12.239583390423014

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: -12.239583
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.38968159258366, total energy = -12.239583390423014

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: -12.239583
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.3896815840154906, total energy = -12.239583390423018

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: -12.239583
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.3896815940737732, total energy = -12.239583390423014

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: -12.239583
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.3896815924323134, total energy = -12.239583390423013

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: -12.239583
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.38968157581985, total energy = -12.239583390423016

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: -12.239583
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.3896815812215215, total energy = -12.239583390423014

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: -12.239583
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.3896815786603867, total energy = -12.239583390423014

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: -12.239583
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.389681592356647, total energy = -12.239583390423014

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: -12.239583
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.3896815812215215, total energy = -12.239583390423014

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: -12.239583
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.389681586995721, total energy = -12.239583390423013

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: -12.239583
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.3896815821528437, total energy = -12.239583390423014

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: -12.239583
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 3.389681584015489, total energy = -12.239583390423013

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: -12.239583
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.3896815747022626, total energy = -12.239583390423014

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: -12.239583
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.389681580476462, total energy = -12.239583390423013

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: -12.239583
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.3896815851330757, total energy = -12.239583390423013

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: -12.239583
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.3896815765649064, total energy = -12.239583390423013

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: -12.239583
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.3896815776824942, total energy = -12.239583390423013

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: -12.239583
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.389681579684839, total energy = -12.239583390423014

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: -12.239583
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.3896815774845876, total energy = -12.239583390423014

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: -12.239583
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.3896815875777975, total energy = -12.239583390423014

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: -12.239583
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.3896815919782934, total energy = -12.239583390423013

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: -12.239583
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.3896815884858356, total energy = -12.239583390423014

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: -12.239583
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.3896815922111276, total energy = -12.239583390423013

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: -12.239583
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.389681577536974, total energy = -12.239583390423016

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.38968159] Angstroms and c = 4.42826149105493 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.239584
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.3891239506682114, c = 5.537148726348832, total energy = -12.239584209248482

Attempting to perform relaxation using initial lattice constant guess of a = [3.38968159] Angstroms and c = 4.705027834245863 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.239584
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 3.389123970696876, c = 5.5371486139811195, total energy = -12.239584209248484

Attempting to perform relaxation using initial lattice constant guess of a = [3.38968159] Angstroms and c = 4.981794177436796 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.239584
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 3.389123970897842, c = 5.537148678443369, total energy = -12.239584209248482

Attempting to perform relaxation using initial lattice constant guess of a = [3.38968159] Angstroms and c = 5.258560520627729 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.239584
         Iterations: 64
         Function evaluations: 142
Results for this minimization:
  a = 3.3891239417716, c = 5.537148709657545, total energy = -12.239584209248482

Attempting to perform relaxation using initial lattice constant guess of a = [3.38968159] Angstroms and c = 5.5353268638186615 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.239584
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 3.3891239958807486, c = 5.537148570066605, total energy = -12.23958420924848

Attempting to perform relaxation using initial lattice constant guess of a = [3.38968159] Angstroms and c = 5.812093207009594 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.239584
         Iterations: 74
         Function evaluations: 154
Results for this minimization:
  a = 3.3891239489717, c = 5.537148687976709, total energy = -12.23958420924848

Attempting to perform relaxation using initial lattice constant guess of a = [3.38968159] Angstroms and c = 6.088859550200527 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.239584
         Iterations: 80
         Function evaluations: 166
Results for this minimization:
  a = 3.3891239495254384, c = 5.5371486873013165, total energy = -12.239584209248482

Attempting to perform relaxation using initial lattice constant guess of a = [3.38968159] Angstroms and c = 6.36562589339146 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.239584
         Iterations: 77
         Function evaluations: 160
Results for this minimization:
  a = 3.389123976314183, c = 5.5371486433087735, total energy = -12.239584209248482

Attempting to perform relaxation using initial lattice constant guess of a = [3.38968159] Angstroms and c = 6.642392236582393 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -12.239584
         Iterations: 79
         Function evaluations: 165
Results for this minimization:
  a = 3.3891239902747605, c = 5.537148564550832, total energy = -12.23958420924848

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

 Final lattice Constants:
   a = 3.389123970696876 Angstroms, c = 5.5371486139811195 Angstroms, c/a = 1.633799

 Total energy: -12.239584209248484 eV

 Cohesive energy: -3.059896052312121 eV/atom

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