Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_KimLee_2008_TiN__MO_070542625990_001
Computed model cutoff of 4.599999997057051 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: 82
Results for this minimization:
  a = 2.920000004768375, total energy = -19.480000000042004

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: 82
Results for this minimization:
  a = 2.9200000070035452, total energy = -19.480000000042008

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: 82
Results for this minimization:
  a = 2.9200000036507845, total energy = -19.480000000042008

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: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9200000135693767, total energy = -19.480000000042004

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: 81
Results for this minimization:
  a = 2.9200000042095806, total energy = -19.480000000042008

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9200000002980255, total energy = -19.480000000042004

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: 79
Results for this minimization:
  a = 2.9199999954551465, total energy = -19.480000000042

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9200000036507845, total energy = -19.480000000042004

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.919999998062851, total energy = -19.480000000042008

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.920000000111759, total energy = -19.480000000042

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: 77
Results for this minimization:
  a = 2.9200000137090694, total energy = -19.480000000042

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9200000189244735, total energy = -19.480000000041997

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: 72
Results for this minimization:
  a = 2.9200000017881393, total energy = -19.480000000042004

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: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.920000013586832, total energy = -19.480000000042004

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9200000012759117, total energy = -19.480000000042008

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: 69
Results for this minimization:
  a = 2.9200000016950067, total energy = -19.480000000042004

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.920000017620622, total energy = -19.480000000042

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9199999989941716, total energy = -19.480000000042008

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: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.919999999995343, total energy = -19.480000000042008

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: 74
Results for this minimization:
  a = 2.9200000049080685, total energy = -19.480000000042004

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: 75
Results for this minimization:
  a = 2.920000003278256, total energy = -19.480000000042

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 = 2.9199999945238213, total energy = -19.480000000042

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: 74
Results for this minimization:
  a = 2.9200000036507845, total energy = -19.480000000042004

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: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.920000008720668, total energy = -19.480000000042004

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 = 2.9200000077486017, total energy = -19.480000000042004

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.919999993976672, total energy = -19.480000000042

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: 78
Results for this minimization:
  a = 2.9200000159442396, total energy = -19.480000000042

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 = 2.920000011101365, total energy = -19.480000000042

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: 79
Results for this minimization:
  a = 2.9200000120326832, total energy = -19.480000000042004

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: 81
Results for this minimization:
  a = 2.9200000018958225, total energy = -19.480000000042004

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 3.8146720352437296 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 2.9453374051909567, c = 4.687408029284642, total energy = -19.49077090431466

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 4.053089037446463 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 71
         Function evaluations: 154
Results for this minimization:
  a = 2.9453374134651327, c = 4.6874080277043255, total energy = -19.490770904314658

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 4.291506039649196 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.945337393449888, c = 4.687408045243708, total energy = -19.490770904314655

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 4.529923041851929 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 65
         Function evaluations: 138
Results for this minimization:
  a = 2.9453374073064524, c = 4.687408007946585, total energy = -19.490770904314658

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 4.768340044054662 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.945337398175399, c = 4.687408072446206, total energy = -19.490770904314655

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 5.006757046257396 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.945337398713273, c = 4.687408033246992, total energy = -19.490770904314658

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 5.245174048460129 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 70
         Function evaluations: 155
Results for this minimization:
  a = 2.9453374070537057, c = 4.687408037324113, total energy = -19.490770904314658

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 5.483591050662862 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.9453373952422375, c = 4.687408050364223, total energy = -19.490770904314658

Attempting to perform relaxation using initial lattice constant guess of a = [2.92000001] Angstroms and c = 5.722008052865595 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.490771
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.945337396583867, c = 4.687408052301801, total energy = -19.490770904314655

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

 Final lattice Constants:
   a = 2.9453374051909567 Angstroms, c = 4.687408029284642 Angstroms, c/a = 1.591467

 Total energy: -19.49077090431466 eV

 Cohesive energy: -4.872692726078665 eV/atom

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