Element = Lattice = Model = Element: Ti
Lattice: hcp
Model: MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_002
Computed model cutoff of 5.000000004544876 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: -19.479999
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.919999980926517, total energy = -19.479999048630766

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: -19.479999
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9200000136566806, total energy = -19.479999048630763

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: -19.479999
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9199999943957664, total energy = -19.479999048630773

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: -19.479999
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9199999998032644, total energy = -19.47999904863076

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: -19.479999
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.919999977946284, total energy = -19.479999048630763

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: -19.479999
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9199999906122702, total energy = -19.479999048630766

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: -19.479999
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9200000027893127, total energy = -19.47999904863077

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: -19.479999
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.92000000923872, total energy = -19.479999048630756

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: -19.479999
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9199999809265154, total energy = -19.479999048630756

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: -19.479999
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9199999870499607, total energy = -19.479999048630766

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: -19.479999
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9199999801814567, total energy = -19.47999904863076

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: -19.479999
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.9199999905569696, total energy = -19.479999048630766

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: -19.479999
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.9199999943375587, total energy = -19.479999048630773

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: -19.479999
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.9200000137090685, total energy = -19.479999048630756

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: -19.479999
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.9199999987147756, total energy = -19.479999048630763

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: -19.479999
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.919999990984797, total energy = -19.47999904863076

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: -19.479999
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9199999874457707, total energy = -19.479999048630763

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: -19.479999
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9199999943375587, total energy = -19.47999904863077

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: -19.479999
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.919999981077854, total energy = -19.479999048630766

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: -19.479999
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.920000001136212, total energy = -19.479999048630763

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: -19.479999
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9199999941512944, total energy = -19.479999048630763

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: -19.479999
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.919999983720479, total energy = -19.47999904863076

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: -19.479999
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.92000000923872, total energy = -19.47999904863076

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: -19.479999
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.920000001322475, total energy = -19.47999904863077

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: -19.479999
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9199999984353755, total energy = -19.479999048630766

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: -19.479999
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9200000020442536, total energy = -19.47999904863076

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: -19.479999
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9199999906122653, total energy = -19.47999904863077

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: -19.479999
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9199999875199865, total energy = -19.47999904863077

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: -19.479999
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.920000013709064, total energy = -19.479999048630752

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: -19.479999
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.919999990588984, total energy = -19.47999904863077

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: -19.479999
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9199999766773557, total energy = -19.479999048630773

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: -19.479999
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.919999985769388, total energy = -19.47999904863077

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: -19.479999
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9199999982956797, total energy = -19.47999904863077

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: -19.479999
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9199999836273447, total energy = -19.479999048630766

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 3.8146720187729963 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 4.0530890199463085 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 4.291506021119621 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 4.529923022292933 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 4.768340023466245 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 5.006757024639557 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 5.24517402581287 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 5.483591026986182 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [2.91999999] Angstroms and c = 5.722008028159494 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 5.125 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [2.91999999] Angstroms, c = [4.76834002] Angstroms, c/a = 1.632993

 Total energy: -19.479999048630773 eV

 Cohesive energy: -4.869999762157693 eV/atom

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