Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_000
Computed model cutoff of 5.099999992623944 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: -19.338279
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.9133538685739087, total energy = -19.338279497879995

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: -19.338279
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.913353865221142, total energy = -19.338279497879995

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: -19.338279
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9133538529858924, total energy = -19.33827949787999

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: -19.338279
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9133538633585045, total energy = -19.33827949787999

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: -19.338279
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.913353875558826, total energy = -19.338279497879995

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: -19.338279
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9133538775146026, total energy = -19.338279497879988

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: -19.338279
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.913353883102537, total energy = -19.338279497879995

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: -19.338279
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.913353871088475, total energy = -19.338279497879995

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: -19.338279
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.913353862613442, total energy = -19.338279497879995

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: -19.338279
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9133538685739055, total energy = -19.338279497879988

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: -19.338279
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.913353868573905, total energy = -19.33827949787999

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: -19.338279
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9133538576774294, total energy = -19.338279497880002

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: -19.338279
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.913353871088475, total energy = -19.338279497879995

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: -19.338279
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9133538684342053, total energy = -19.338279497879995

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: -19.338279
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.913353883847595, total energy = -19.33827949787999

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: -19.338279
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.9133538647962274, total energy = -19.338279497879988

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: -19.338279
         Iterations: 34
         Function evaluations: 70
Results for this minimization:
  a = 2.9133538613095875, total energy = -19.338279497880002

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: -19.338279
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9133538689347915, total energy = -19.33827949787999

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: -19.338279
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9133538666181265, total energy = -19.33827949787999

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: -19.338279
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.913353871926665, total energy = -19.33827949787999

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: -19.338279
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9133538674563164, total energy = -19.338279497879988

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: -19.338279
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9133538596332054, total energy = -19.338279497879988

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: -19.338279
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.913353861309588, total energy = -19.338279497879995

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: -19.338279
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9133538713620477, total energy = -19.338279497879995

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: -19.338279
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9133538682013747, total energy = -19.33827949787999

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: -19.338279
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.913353867456318, total energy = -19.33827949787999

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: -19.338279
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.913353868573902, total energy = -19.33827949787999

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: -19.338279
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9133538657042664, total energy = -19.338279497880002

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: -19.338279
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9133538635447582, total energy = -19.338279497879988

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: -19.338279
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.913353865162933, total energy = -19.338279497879995

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: -19.338279
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.913353877252669, total energy = -19.338279497879995

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: -19.338279
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.91335387757135, total energy = -19.33827949787999

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.25, total energy = 0.0

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: -19.338279
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9133538626134348, total energy = -19.33827949788

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.91335386] Angstroms and c = 3.8059895421219556 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.9466601027214985, c = 4.655252230762253, total energy = -19.358343375716217

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335386] Angstroms and c = 4.0438638885045775 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.946660107472979, c = 4.655252209703352, total energy = -19.358343375716217

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335386] Angstroms and c = 4.281738234887199 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.94666009638176, c = 4.6552522217164025, total energy = -19.358343375716213

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335386] Angstroms and c = 4.519612581269821 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 2.9466600878405216, c = 4.655252235746079, total energy = -19.358343375716217

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335386] Angstroms and c = 4.757486927652443 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 66
         Function evaluations: 140
Results for this minimization:
  a = 2.946660105493766, c = 4.655252203362203, total energy = -19.35834337571622

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335386] Angstroms and c = 4.995361274035065 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.9466600777037932, c = 4.655252272077621, total energy = -19.358343375716213

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335386] Angstroms and c = 5.233235620417687 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.9466600784666506, c = 4.655252220828821, total energy = -19.358343375716213

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335386] Angstroms and c = 5.4711099668003085 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 75
         Function evaluations: 153
Results for this minimization:
  a = 2.946660098470554, c = 4.655252210037846, total energy = -19.35834337571622

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335386] Angstroms and c = 5.70898431318293 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.9466600762193, c = 4.655252225994777, total energy = -19.358343375716217

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

 Final lattice Constants:
   a = 2.946660105493766 Angstroms, c = 4.655252203362203 Angstroms, c/a = 1.579840

 Total energy: -19.35834337571622 eV

 Cohesive energy: -4.839585843929055 eV/atom

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