Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: EAM_Dynamo_ZopeMishin_2003_TiAl__MO_117656786760_005
Computed model cutoff of 5.194300298988837 Angstroms
Computed isolated atomic energy of -7.7941043376e-10 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -19.386648
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9246669795364166, total energy = -19.386647641053454

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: -19.386648
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.924666947126389, total energy = -19.386647641053433

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: -19.386648
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.92466698307544, total energy = -19.38664764105345

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: -19.386648
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9246669977903386, total energy = -19.386647641053443

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: -19.386648
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.924666982516648, total energy = -19.386647641053457

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: -19.386648
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.92466697189957, total energy = -19.386647641053454

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: -19.386648
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9246669714862934, total energy = -19.38664764105346

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: -19.386648
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.924667000537738, total energy = -19.386647641053436

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: -19.386648
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.924667002214119, total energy = -19.386647641053443

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: -19.386648
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 2.924666967242956, total energy = -19.38664764105345

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: -19.386648
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.924666964821517, total energy = -19.386647641053454

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: -19.386648
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.924666985729709, total energy = -19.386647641053468

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: -19.386648
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9246670030988753, total energy = -19.386647641053443

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: -19.386648
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9246670013293627, total energy = -19.386647641053447

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: -19.386648
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9246669718995686, total energy = -19.386647641053454

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: -19.386648
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.924666947126388, total energy = -19.386647641053447

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: -19.386648
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.924666986556256, total energy = -19.38664764105345

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: -19.386648
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.92466698307544, total energy = -19.386647641053454

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: -19.386648
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.924666971736585, total energy = -19.386647641053454

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: -19.386648
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9246669530868514, total energy = -19.38664764105344

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: -19.386648
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.924666972109118, total energy = -19.38664764105344

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: -19.386648
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9246669825166443, total energy = -19.386647641053454

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: -19.386648
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9246669850399485, total energy = -19.386647641053447

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: -19.386648
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.924666970223185, total energy = -19.386647641053447

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: -19.386648
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.924666968360542, total energy = -19.386647641053447

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: -19.386648
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.924666987190723, total energy = -19.38664764105345

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: -19.386648
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.9246670019347194, total energy = -19.386647641053433

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: -19.386648
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9246669894782826, total energy = -19.386647641053454

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: -19.386648
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9246669694548433, total energy = -19.386647641053454

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: -19.386648
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9246669997082773, total energy = -19.386647641053436

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.92466699] Angstroms and c = 3.82076895072081 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.400045
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.9527473463732727, c = 4.680808038239599, total energy = -19.400045453004722

Attempting to perform relaxation using initial lattice constant guess of a = [2.92466699] Angstroms and c = 4.05956701014086 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.400045
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.952747337046315, c = 4.680808052057886, total energy = -19.400045453004722

Attempting to perform relaxation using initial lattice constant guess of a = [2.92466699] Angstroms and c = 4.29836506956091 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.400045
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.9527473428701674, c = 4.680808011564552, total energy = -19.400045453004715

Attempting to perform relaxation using initial lattice constant guess of a = [2.92466699] Angstroms and c = 4.537163128980961 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.400045
         Iterations: 66
         Function evaluations: 142
Results for this minimization:
  a = 2.952747340355191, c = 4.680808044996086, total energy = -19.400045453004726

Attempting to perform relaxation using initial lattice constant guess of a = [2.92466699] Angstroms and c = 4.775961188401011 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.400045
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.9527473681821954, c = 4.6808080470870035, total energy = -19.40004545300471

Attempting to perform relaxation using initial lattice constant guess of a = [2.92466699] Angstroms and c = 5.014759247821061 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.400045
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.9527473329806826, c = 4.680808076793436, total energy = -19.40004545300471

Attempting to perform relaxation using initial lattice constant guess of a = [2.92466699] Angstroms and c = 5.2535573072411115 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.400045
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.952747344822891, c = 4.680808057837447, total energy = -19.40004545300472

Attempting to perform relaxation using initial lattice constant guess of a = [2.92466699] Angstroms and c = 5.492355366661162 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.400045
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.9527473492310286, c = 4.680808057333322, total energy = -19.400045453004715

Attempting to perform relaxation using initial lattice constant guess of a = [2.92466699] Angstroms and c = 5.731153426081212 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.400045
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.952747339187212, c = 4.680807997539613, total energy = -19.40004545300471

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

 Final lattice Constants:
   a = 2.952747340355191 Angstroms, c = 4.680808044996086 Angstroms, c/a = 1.585238

 Total energy: -19.400045453004726 eV

 Cohesive energy: -4.850011363251181 eV/atom

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