Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_KimKimJung_2017_NiAlTi__MO_478967255435_000
Computed model cutoff of 5.000000004544876 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ti

==============================================================================
==============================================================================
 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: -19.480000
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9199999868869817, total energy = -19.480000000103505

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: -19.480000
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9200000137090676, total energy = -19.480000000103495

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: -19.480000
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9199999847915024, total energy = -19.480000000103505

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: -19.480000
         Iterations: 38
         Function evaluations: 78
Results for this minimization:
  a = 2.9199999935925067, total energy = -19.4800000001035

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: -19.480000
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.920000004768374, total energy = -19.480000000103498

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: -19.480000
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.920000002719464, total energy = -19.4800000001035

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: -19.480000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9199999876320373, total energy = -19.4800000001035

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: -19.480000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.919999992387602, total energy = -19.480000000103505

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: -19.480000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.920000004768373, total energy = -19.480000000103498

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: -19.480000
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.919999977946282, total energy = -19.480000000103495

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: -19.480000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9199999868869795, total energy = -19.480000000103498

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: -19.480000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9199999764561637, total energy = -19.480000000103498

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: -19.480000
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9200000017881393, total energy = -19.4800000001035

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: -19.480000
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.919999998307321, total energy = -19.480000000103505

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: -19.480000
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9200000016600827, total energy = -19.4800000001035

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: -19.480000
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9199999952688813, total energy = -19.4800000001035

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: -19.480000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9199999891221515, total energy = -19.4800000001035

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: -19.480000
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.919999993609963, total energy = -19.480000000103505

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: -19.480000
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9199999977252453, total energy = -19.480000000103505

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: -19.480000
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9199999948497855, total energy = -19.4800000001035

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: -19.480000
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.9199999928474427, total energy = -19.480000000103498

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: -19.480000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.91999998912215, total energy = -19.4800000001035

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: -19.480000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9199999924749136, total energy = -19.4800000001035

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: -19.480000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.919999989774075, total energy = -19.4800000001035

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: -19.480000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9199999898672084, total energy = -19.4800000001035

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: -19.480000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9199999874457725, total energy = -19.4800000001035

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: -19.480000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9199999906122653, total energy = -19.4800000001035

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: -19.480000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.919999985024333, total energy = -19.4800000001035

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: -19.480000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9199999876203906, total energy = -19.4800000001035

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: -19.480000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.919999988004564, total energy = -19.480000000103505

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: -19.480000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9199999976903213, total energy = -19.4800000001035

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: -19.480000
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.920000000525029, total energy = -19.480000000103505

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: -19.480000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.919999983161688, total energy = -19.4800000001035

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: -19.480000
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.919999993173401, total energy = -19.4800000001035

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 3.814672008963561 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 70
         Function evaluations: 147
Results for this minimization:
  a = 2.94533739584688, c = 4.687407980065451, total energy = -19.49077090496199

Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 4.0530890095237835 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.945337390074939, c = 4.6874080190372585, total energy = -19.490770904961995

Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 4.291506010084007 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.9453373943144436, c = 4.687408038718578, total energy = -19.490770904961995

Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 4.529923010644229 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 2.94533739967927, c = 4.687408044515696, total energy = -19.49077090496199

Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 4.768340011204451 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.945337404162226, c = 4.687407996358218, total energy = -19.490770904961995

Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 5.006757011764674 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 69
         Function evaluations: 147
Results for this minimization:
  a = 2.945337394589847, c = 4.687408022906215, total energy = -19.490770904961995

Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 5.245174012324897 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.9453373984950364, c = 4.687408040364457, total energy = -19.490770904961995

Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 5.483591012885119 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 2.9453373914769596, c = 4.687408041106821, total energy = -19.49077090496199

Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 5.7220080134453415 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.9453373964957765, c = 4.687408019079726, total energy = -19.490770904961995

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

 Final lattice Constants:
   a = 2.945337390074939 Angstroms, c = 4.6874080190372585 Angstroms, c/a = 1.591467

 Total energy: -19.490770904961995 eV

 Cohesive energy: -4.872692726240499 eV/atom

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