Element = Lattice = Model = Element: Nb
Lattice: hcp
Model: EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
Computed model cutoff of 4.500285135582121 Angstroms
Computed isolated atomic energy of 0.0 eV for species Nb

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 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 = 1.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.875 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 = 1.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.0 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 = 2.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -29.032672
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.934261499345304, total energy = -29.032671864684488

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: -29.032672
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9342614464461816, total energy = -29.03267186468447

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: -29.032672
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.9342614717781537, total energy = -29.0326718646845

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: -29.032672
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9342614970519207, total energy = -29.03267186468445

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: -29.032672
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.934261465305463, total energy = -29.032671864684477

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: -29.032672
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9342614631168544, total energy = -29.032671864684485

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: -29.032672
         Iterations: 32
         Function evaluations: 72
Results for this minimization:
  a = 2.934261449053884, total energy = -29.032671864684467

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: -29.032672
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.934261461533606, total energy = -29.032671864684495

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: -29.032672
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9342614766210318, total energy = -29.032671864684485

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: -29.032672
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9342614609049633, total energy = -29.032671864684477

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: -29.032672
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.934261485841124, total energy = -29.032671864684474

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: -29.032672
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.934261498390697, total energy = -29.032671864684445

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: -29.032672
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.934261474979575, total energy = -29.032671864684474

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: -29.032672
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9342614570632577, total energy = -29.03267186468446

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: -29.032672
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.934261476586104, total energy = -29.032671864684474

Attempting to perform relaxation using initial lattice constant guess of a = 4.0 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 = 4.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -29.032672
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.934261474385859, total energy = -29.03267186468447

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: -29.032672
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.934261477179823, total energy = -29.032671864684467

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: -29.032672
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9342614486813545, total energy = -29.032671864684442

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 4.7250000000000005, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 4.625, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.93426147] Angstroms and c = 3.833303134807712 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.032672
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 2.9342614735015213, c = 4.791628966446784, total energy = -29.032671864684456

Attempting to perform relaxation using initial lattice constant guess of a = [2.93426147] Angstroms and c = 4.072884580733194 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.032672
         Iterations: 77
         Function evaluations: 165
Results for this minimization:
  a = 2.9342614856159193, c = 4.7916288659527, total energy = -29.032671864684467

Attempting to perform relaxation using initial lattice constant guess of a = [2.93426147] Angstroms and c = 4.312466026658676 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.032672
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.9342614522366555, c = 4.791628980056767, total energy = -29.032671864684477

Attempting to perform relaxation using initial lattice constant guess of a = [2.93426147] Angstroms and c = 4.552047472584158 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.032672
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.9342614819567694, c = 4.791628924118896, total energy = -29.032671864684477

Attempting to perform relaxation using initial lattice constant guess of a = [2.93426147] Angstroms and c = 4.791628918509641 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.032672
         Iterations: 61
         Function evaluations: 141
Results for this minimization:
  a = 2.9342614717781537, c = 4.791628918509641, total energy = -29.032671864684485

Attempting to perform relaxation using initial lattice constant guess of a = [2.93426147] Angstroms and c = 5.031210364435123 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.032672
         Iterations: 68
         Function evaluations: 146
Results for this minimization:
  a = 2.9342614700559357, c = 4.7916289296417105, total energy = -29.03267186468448

Attempting to perform relaxation using initial lattice constant guess of a = [2.93426147] Angstroms and c = 5.270791810360604 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.032672
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 2.934261525038537, c = 4.791628832121818, total energy = -29.03267186468445

Attempting to perform relaxation using initial lattice constant guess of a = [2.93426147] Angstroms and c = 5.510373256286087 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.032672
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 2.9342614729065586, c = 4.791628941570776, total energy = -29.032671864684488

Attempting to perform relaxation using initial lattice constant guess of a = [2.93426147] Angstroms and c = 5.74995470221157 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.032672
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.934261481323654, c = 4.791628852348217, total energy = -29.032671864684474

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

 Final lattice Constants:
   a = [2.93426147] Angstroms, c = [4.79162892] Angstroms, c/a = 1.632993

 Total energy: -29.0326718646845 eV

 Cohesive energy: -7.258167966171125 eV/atom

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