Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_001
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: 85
Results for this minimization:
  a = 2.9133538771420717, 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: 81
Results for this minimization:
  a = 2.913353867456324, 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: 78
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: 80
Results for this minimization:
  a = 2.9133538657100893, total energy = -19.338279497879995

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: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.913353875116446, total energy = -19.338279497879988

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: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.913353872485459, total energy = -19.33827949787999

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: 77
Results for this minimization:
  a = 2.9133538685739078, total energy = -19.33827949787999

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: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9133538543246704, total energy = -19.33827949787999

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9133538719266663, total energy = -19.33827949788

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: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.913353878026828, total energy = -19.33827949788

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.913353872252628, 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: 33
         Function evaluations: 72
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: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9133538653433795, total energy = -19.33827949788

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: 70
Results for this minimization:
  a = 2.913353871088476, total energy = -19.338279497879995

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: 73
Results for this minimization:
  a = 2.9133538763970135, total energy = -19.338279497879988

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: 75
Results for this minimization:
  a = 2.913353872427251, total energy = -19.338279497880002

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9133538702502846, 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: 72
Results for this minimization:
  a = 2.913353872005245, total energy = -19.338279497879995

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9133538754424073, total energy = -19.33827949787999

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: 75
Results for this minimization:
  a = 2.9133538596332054, total energy = -19.338279497879995

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9133538585156202, total energy = -19.33827949787999

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.913353859813648, 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: 74
Results for this minimization:
  a = 2.9133538685739033, total energy = -19.338279497879995

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: 78
Results for this minimization:
  a = 2.913353868573902, total energy = -19.338279497879995

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: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.913353872427251, total energy = -19.33827949787999

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 = 2.913353861868378, total energy = -19.33827949787999

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: 82
Results for this minimization:
  a = 2.913353879592612, total energy = -19.33827949787999

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: 85
Results for this minimization:
  a = 2.9133538780268307, 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: 81
Results for this minimization:
  a = 2.9133538775145977, total energy = -19.338279497879988

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: 81
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 = [2.91335387] Angstroms and c = 3.805989561391042 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 73
         Function evaluations: 151
Results for this minimization:
  a = 2.94666011547994, c = 4.65525222730012, total energy = -19.35834337571621

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335387] Angstroms and c = 4.043863908977982 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.9466601048004817, c = 4.655252189774847, total energy = -19.358343375716213

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335387] Angstroms and c = 4.281738256564921 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.9466600909240976, c = 4.655252213745605, total energy = -19.358343375716217

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335387] Angstroms and c = 4.519612604151861 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 68
         Function evaluations: 145
Results for this minimization:
  a = 2.9466601018671614, c = 4.6552522126751485, total energy = -19.358343375716217

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335387] Angstroms and c = 4.757486951738802 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 65
         Function evaluations: 142
Results for this minimization:
  a = 2.946660101107991, c = 4.655252249812888, total energy = -19.358343375716213

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335387] Angstroms and c = 4.995361299325741 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 66
         Function evaluations: 145
Results for this minimization:
  a = 2.9466601045094762, c = 4.655252223517438, total energy = -19.358343375716217

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335387] Angstroms and c = 5.23323564691268 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.946660104000016, c = 4.655252223466001, total energy = -19.358343375716213

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335387] Angstroms and c = 5.471109994499621 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.946660106478152, c = 4.655252204357112, total energy = -19.358343375716217

Attempting to perform relaxation using initial lattice constant guess of a = [2.91335387] Angstroms and c = 5.708984342086561 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.358343
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.94666007286272, c = 4.655252269172559, total energy = -19.35834337571621

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

 Final lattice Constants:
   a = 2.9466600909240976 Angstroms, c = 4.655252213745605 Angstroms, c/a = 1.579840

 Total energy: -19.358343375716217 eV

 Cohesive energy: -4.839585843929054 eV/atom

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