Element = Lattice = Model = Element: V
Lattice: hcp
Model: EAM_Dynamo_MendelevHanSon_2007_VFe__MO_249706810527_005
Computed model cutoff of 4.901399446725869 Angstroms
Computed isolated atomic energy of 0.0 eV for species V

==============================================================================
==============================================================================
 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: -19.170093
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.737812052294613, total energy = -19.1700932122887

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: -19.170093
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.737812124937772, total energy = -19.170093212288645

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: -19.170093
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7378120571374893, total energy = -19.170093212288702

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: -19.170093
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.737812119722368, total energy = -19.17009321228863

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: -19.170093
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.737812057766133, total energy = -19.170093212288666

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: -19.170093
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.737812119722367, total energy = -19.170093212288634

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: -19.170093
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.737812043912707, total energy = -19.17009321228869

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: -19.170093
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.7378120571374893, total energy = -19.17009321228868

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: -19.170093
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.737812088429929, total energy = -19.17009321228872

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: -19.170093
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.7378120690584185, total energy = -19.170093212288723

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: -19.170093
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.737812119856244, total energy = -19.170093212288652

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: -19.170093
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7378120884299273, total energy = -19.1700932122887

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: -19.170093
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.737812073828536, total energy = -19.170093212288737

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: -19.170093
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7378120571374884, total energy = -19.170093212288702

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: -19.170093
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.7378120835230213, total energy = -19.170093212288645

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: -19.170093
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.737812117440624, total energy = -19.170093212288723

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: -19.170093
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.7378120213747006, total energy = -19.170093212288663

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: -19.170093
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.7378120571374893, total energy = -19.170093212288695

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: -19.170093
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.737812074372775, total energy = -19.170093212288737

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: -0.000000
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 4.900091603398325, total energy = -3.101543432183029e-11

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: 0.000000
         Iterations: 35
         Function evaluations: 101
Results for this minimization:
  a = 5.156249999999997, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 101
Results for this minimization:
  a = 5.312500000000002, total energy = 0.0

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: 0.000000
         Iterations: 35
         Function evaluations: 102
Results for this minimization:
  a = 5.03125, total energy = 0.0

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: 34
         Function evaluations: 99
Results for this minimization:
  a = 4.950000000000001, 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: 34
         Function evaluations: 99
Results for this minimization:
  a = 5.0875, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 4.9875, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 5.11875, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 98
Results for this minimization:
  a = 5.0, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.73781207] Angstroms and c = 3.576662716005835 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.175914
         Iterations: 71
         Function evaluations: 159
Results for this minimization:
  a = 2.721820086130292, c = 4.530038214753215, total energy = -19.17591359573493

Attempting to perform relaxation using initial lattice constant guess of a = [2.73781207] Angstroms and c = 3.8002041357561995 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.175914
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 2.7218201192839615, c = 4.53003801601628, total energy = -19.175913595734915

Attempting to perform relaxation using initial lattice constant guess of a = [2.73781207] Angstroms and c = 4.023745555506564 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.175914
         Iterations: 71
         Function evaluations: 144
Results for this minimization:
  a = 2.721820052647092, c = 4.530038258217588, total energy = -19.175913595734908

Attempting to perform relaxation using initial lattice constant guess of a = [2.73781207] Angstroms and c = 4.247286975256928 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.175914
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.7218201829594775, c = 4.530038031548202, total energy = -19.175913595734905

Attempting to perform relaxation using initial lattice constant guess of a = [2.73781207] Angstroms and c = 4.470828395007294 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.175914
         Iterations: 69
         Function evaluations: 144
Results for this minimization:
  a = 2.72182011265853, c = 4.53003812210742, total energy = -19.175913595734944

Attempting to perform relaxation using initial lattice constant guess of a = [2.73781207] Angstroms and c = 4.694369814757659 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.175914
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 2.721820103729856, c = 4.530038146243381, total energy = -19.17591359573495

Attempting to perform relaxation using initial lattice constant guess of a = [2.73781207] Angstroms and c = 4.917911234508023 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.175914
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.7218201163183675, c = 4.530038058610581, total energy = -19.17591359573497

Attempting to perform relaxation using initial lattice constant guess of a = [2.73781207] Angstroms and c = 5.141452654258387 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.175914
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 2.721820169680929, c = 4.530038112351639, total energy = -19.175913595734922

Attempting to perform relaxation using initial lattice constant guess of a = [2.73781207] Angstroms and c = 5.364994074008752 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.175914
         Iterations: 79
         Function evaluations: 165
Results for this minimization:
  a = 2.721820108707437, c = 4.530038243498895, total energy = -19.17591359573493

Attempting to perform relaxation using initial lattice constant guess of a = [2.73781207] Angstroms and c = 5.588535493759117 = ([2.04124145] * a) Angstroms

Optimization terminated successfully.
         Current function value: -19.175914
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.721820137525674, c = 4.530038036517714, total energy = -19.17591359573495

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

 Final lattice Constants:
   a = 2.7218201163183675 Angstroms, c = 4.530038058610581 Angstroms, c/a = 1.664341

 Total energy: -19.17591359573497 eV

 Cohesive energy: -4.793978398933742 eV/atom

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