Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_HennigLenoskyTrinkle_2008_Ti__MO_520569947398_001
Computed model cutoff of 5.499999915808449 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: -19.315989
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.909364748001103, total energy = -19.315989133469767

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: -19.315989
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.909364733938127, total energy = -19.315989133469785

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: -8.131494
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.062050092848949, total energy = -8.131494273653374

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: -19.315989
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.909364783763892, total energy = -19.315989133469706

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: -8.131494
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.0620500904507946, total energy = -8.131494273653365

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: -8.131494
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.062050102092327, total energy = -8.131494273653365

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: -8.131494
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.0620500932447614, total energy = -8.131494273653386

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: -8.131494
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.0620500913937576, total energy = -8.131494273653372

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: -8.131494
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.062050086352974, total energy = -8.131494273653358

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: -8.131494
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 2.062050095200539, total energy = -8.131494273653342

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: -19.315989
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9093647339381272, total energy = -19.315989133469763

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: -19.315989
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9093647222267447, total energy = -19.315989133469767

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: -19.315989
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.909364700317383, total energy = -19.31598913346976

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: -19.315989
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9093647311092363, total energy = -19.31598913346977

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: -19.315989
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9093647184548903, total energy = -19.315989133469763

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: -19.315989
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9093647098692603, total energy = -19.315989133469763

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: -19.315989
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9093647180125113, total energy = -19.315989133469753

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: -19.315989
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.909364700317383, total energy = -19.315989133469756

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: -19.315989
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.909364706336055, total energy = -19.31598913346976

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: -19.315989
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9093647226225565, total energy = -19.315989133469763

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: -19.315989
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.909364731516689, total energy = -19.315989133469774

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: -19.315989
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.9093647202476838, total energy = -19.31598913346975

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: -19.315989
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9093647487461567, total energy = -19.315989133469774

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: -19.315989
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.909364730492231, total energy = -19.31598913346976

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: -19.315989
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.909364700317382, total energy = -19.31598913346975

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: -19.315989
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.9093647509813323, total energy = -19.31598913346975

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: -19.315989
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9093647507950635, total energy = -19.315989133469756

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: -19.315989
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9093646985129453, total energy = -19.315989133469753

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: -19.315989
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.90936473247129, total energy = -19.31598913346978

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: -19.315989
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.9093647614121423, total energy = -19.315989133469746

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: -19.315989
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.909364724438639, total energy = -19.315989133469774

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: -19.315989
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9093647473491706, total energy = -19.315989133469767

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: -19.315989
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.909364700317383, total energy = -19.315989133469756

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: -19.315989
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.909364740460292, total energy = -19.315989133469774

Attempting to perform relaxation using initial lattice constant guess of a = 5.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.315989
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9093647308647617, total energy = -19.31598913346978

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -19.315989
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.909364727651701, total energy = -19.31598913346978

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 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 = 5.775, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 3.800778172691494 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 88
         Function evaluations: 182
Results for this minimization:
  a = 2.9304937324554095, c = 4.678286040455689, total energy = -19.324735111181436

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 4.038326808484713 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 2.9304937408246974, c = 4.678286089886438, total energy = -19.324735111181433

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 4.275875444277931 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.9304937272932827, c = 4.678286110929118, total energy = -19.324735111181436

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 4.513424080071149 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 63
         Function evaluations: 142
Results for this minimization:
  a = 2.930493693578911, c = 4.678286165147064, total energy = -19.32473511118143

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 4.750972715864368 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 2.930493712078848, c = 4.678286092453443, total energy = -19.324735111181433

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 4.988521351657586 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.9304936791876286, c = 4.678286235127717, total energy = -19.32473511118142

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 5.2260699874508045 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 2.930493720946961, c = 4.678286017877319, total energy = -19.324735111181425

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 5.463618623244023 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.9304937058336864, c = 4.678286128832465, total energy = -19.324735111181433

Attempting to perform relaxation using initial lattice constant guess of a = [2.90936473] Angstroms and c = 5.701167259037241 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.324735
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.930493734619861, c = 4.678286030559218, total energy = -19.32473511118144

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

 Final lattice Constants:
   a = 2.930493734619861 Angstroms, c = 4.678286030559218 Angstroms, c/a = 1.596416

 Total energy: -19.32473511118144 eV

 Cohesive energy: -4.83118377779536 eV/atom

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