Element = Lattice = Model = Element: Nb
Lattice: hcp
Model: EAM_MagneticCubic_DerletNguyenDudarev_2007_Nb__MO_218026715338_002
Computed model cutoff of 4.451893887966905 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))

Optimization terminated successfully.
         Current function value: -29.567633
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.961665668897333, total energy = -29.56763339830871

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: -29.567633
         Iterations: 42
         Function evaluations: 88
Results for this minimization:
  a = 2.961665696650742, total energy = -29.567633398308722

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: -29.567633
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.9616656601428986, total energy = -29.567633398308658

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: -29.567633
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.961665678408469, total energy = -29.567633398308732

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: -29.567633
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.961665669828656, total energy = -29.56763339830866

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: -29.567633
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9616656959056877, total energy = -29.567633398308686

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: -29.567633
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.961665686964988, total energy = -29.56763339830868

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: -29.567633
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9616657053120434, total energy = -29.5676333983087

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: -29.567633
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9616656757891207, total energy = -29.56763339830871

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: -29.567633
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.961665685847403, total energy = -29.56763339830871

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: -29.567633
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.96166569790803, total energy = -29.567633398308715

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: -29.567633
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.96166567020118, total energy = -29.567633398308693

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: -29.567633
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9616656824946404, total energy = -29.567633398308708

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: -29.567633
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.961665699759034, total energy = -29.567633398308704

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: -29.567633
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.961665681097657, total energy = -29.56763339830871

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: -29.567633
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.961665687948699, total energy = -29.56763339830871

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: -29.567633
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.96166569860652, total energy = -29.5676333983087

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: -29.567633
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9616656713187695, total energy = -29.56763339830869

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: -29.567633
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9616656983271237, total energy = -29.567633398308704

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: -29.567633
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9616656962316474, total energy = -29.56763339830869

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: -29.567633
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.961665683053432, total energy = -29.567633398308722

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: -29.567633
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.961665687384083, total energy = -29.567633398308693

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: -29.567633
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.961665691342205, total energy = -29.56763339830868

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: -29.567633
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.961665690847437, total energy = -29.56763339830873

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: -29.567633
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9616656782105553, total energy = -29.567633398308683

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: -29.567633
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.961665709782392, total energy = -29.5676333983087

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: -29.567633
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9616656862432116, total energy = -29.567633398308708

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: -29.567633
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9616656810976565, total energy = -29.56763339830869

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: -29.567633
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9616656765341722, total energy = -29.56763339830869

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.96166568] Angstroms and c = 3.869103840434415 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.567633
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.9616657181667456, c = 4.836379727271636, total energy = -29.567633398308683

Attempting to perform relaxation using initial lattice constant guess of a = [2.96166568] Angstroms and c = 4.110922830461566 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.567633
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 2.9616656924024314, c = 4.836379788734007, total energy = -29.567633398308697

Attempting to perform relaxation using initial lattice constant guess of a = [2.96166568] Angstroms and c = 4.352741820488717 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.567633
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 2.9616656704959254, c = 4.836379831696483, total energy = -29.567633398308754

Attempting to perform relaxation using initial lattice constant guess of a = [2.96166568] Angstroms and c = 4.594560810515867 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.567633
         Iterations: 69
         Function evaluations: 146
Results for this minimization:
  a = 2.9616656890532047, c = 4.836379792889642, total energy = -29.567633398308704

Attempting to perform relaxation using initial lattice constant guess of a = [2.96166568] Angstroms and c = 4.836379800543018 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.567633
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.9616656991268915, c = 4.836379782988972, total energy = -29.567633398308704

Attempting to perform relaxation using initial lattice constant guess of a = [2.96166568] Angstroms and c = 5.078198790570169 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.567633
         Iterations: 77
         Function evaluations: 155
Results for this minimization:
  a = 2.9616656891534916, c = 4.836379818864119, total energy = -29.56763339830872

Attempting to perform relaxation using initial lattice constant guess of a = [2.96166568] Angstroms and c = 5.32001778059732 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.567633
         Iterations: 77
         Function evaluations: 156
Results for this minimization:
  a = 2.961665692260068, c = 4.836379816071316, total energy = -29.5676333983087

Attempting to perform relaxation using initial lattice constant guess of a = [2.96166568] Angstroms and c = 5.5618367706244705 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.567633
         Iterations: 77
         Function evaluations: 164
Results for this minimization:
  a = 2.9616657005911105, c = 4.836379749615974, total energy = -29.567633398308704

Attempting to perform relaxation using initial lattice constant guess of a = [2.96166568] Angstroms and c = 5.803655760651621 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -29.567633
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.961665697970566, c = 4.836379815141871, total energy = -29.5676333983087

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

 Final lattice Constants:
   a = 2.9616656704959254 Angstroms, c = 4.836379831696483 Angstroms, c/a = 1.632993

 Total energy: -29.567633398308754 eV

 Cohesive energy: -7.3919083495771885 eV/atom

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



 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41
 Potential info: Nb potential
 Atomic number:           41