Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: EAM_Dynamo_RaveloGermannGuerrero_2013Ta1_Ta__MO_816821594689_000
Computed model cutoff of 5.299999912753716 Angstroms
Computed isolated atomic energy of 0.0 eV for species Ta

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

Optimization terminated successfully.
         Current function value: -31.845758
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9631687842309513, total energy = -31.84575838712389

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: -31.845758
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.9631688088178656, total energy = -31.845758387123972

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: -31.845758
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9631688088178634, total energy = -31.84575838712396

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: -31.845758
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9631688222289085, total energy = -31.84575838712396

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: -31.845758
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9631688222289116, total energy = -31.845758387123976

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: -31.845758
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9631688551045974, total energy = -31.84575838712384

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: -31.845758
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9631688283756388, total energy = -31.84575838712389

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: -31.845758
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.963168807257898, total energy = -31.8457583871239

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: -31.845758
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9631687812507153, total energy = -31.845758387123926

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: -31.845758
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.963168808817864, total energy = -31.845758387123965

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: -31.845758
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9631688206456603, total energy = -31.845758387123922

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: -31.845758
         Iterations: 32
         Function evaluations: 72
Results for this minimization:
  a = 2.9631688103079803, total energy = -31.845758387123915

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: -31.845758
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9631687843706462, total energy = -31.84575838712394

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: -31.845758
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9631687717483146, total energy = -31.845758387123915

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: -31.845758
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.963168808817864, total energy = -31.845758387123936

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: -31.845758
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9631687896617214, total energy = -31.845758387123887

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: -31.845758
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.9631688088178634, total energy = -31.845758387123933

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: -31.845758
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.963168825377942, total energy = -31.845758387123922

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: -31.845758
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9631688222289085, total energy = -31.845758387123958

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: -31.845758
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.963168782764112, total energy = -31.84575838712394

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: -31.845758
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.963168822228908, total energy = -31.84575838712396

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: -31.845758
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.9631688324268906, total energy = -31.84575838712395

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: -31.845758
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9631688489695063, total energy = -31.845758387123873

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: -31.845758
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9631688174558803, total energy = -31.84575838712392

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: -31.845758
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.963168813497757, total energy = -31.84575838712392

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: -31.845758
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9631687844172117, total energy = -31.845758387123944

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: -31.845758
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.9631688070367117, total energy = -31.845758387123908

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: -31.845758
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9631688087043555, total energy = -31.845758387123944

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: -31.845758
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9631687961518764, total energy = -31.84575838712392

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: -31.845758
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.963168854419196, total energy = -31.845758387123848

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: -31.845758
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.963168808817862, total energy = -31.84575838712395

Attempting to perform relaxation using initial lattice constant guess of a = 5.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.845758
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9631687536835685, total energy = -31.845758387123833

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.96316882] Angstroms and c = 3.8710675392984695 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.847073
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 2.9556329472792875, c = 4.862444825888904, total energy = -31.847073035569885

Attempting to perform relaxation using initial lattice constant guess of a = [2.96316882] Angstroms and c = 4.113009260504624 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.847073
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.9556329595839386, c = 4.8624448834956215, total energy = -31.847073035569895

Attempting to perform relaxation using initial lattice constant guess of a = [2.96316882] Angstroms and c = 4.354950981710779 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.847073
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.9556329433452975, c = 4.862444732653046, total energy = -31.84707303556988

Attempting to perform relaxation using initial lattice constant guess of a = [2.96316882] Angstroms and c = 4.596892702916933 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.847073
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.955632914251286, c = 4.862444844046925, total energy = -31.847073035569878

Attempting to perform relaxation using initial lattice constant guess of a = [2.96316882] Angstroms and c = 4.838834424123087 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.847073
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 2.9556329212194474, c = 4.862444852829066, total energy = -31.84707303556988

Attempting to perform relaxation using initial lattice constant guess of a = [2.96316882] Angstroms and c = 5.080776145329242 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.847073
         Iterations: 76
         Function evaluations: 157
Results for this minimization:
  a = 2.955632950216963, c = 4.862444737139467, total energy = -31.84707303556986

Attempting to perform relaxation using initial lattice constant guess of a = [2.96316882] Angstroms and c = 5.322717866535397 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.847073
         Iterations: 68
         Function evaluations: 147
Results for this minimization:
  a = 2.9556329160609938, c = 4.862444819357606, total energy = -31.84707303556985

Attempting to perform relaxation using initial lattice constant guess of a = [2.96316882] Angstroms and c = 5.564659587741551 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.847073
         Iterations: 67
         Function evaluations: 149
Results for this minimization:
  a = 2.9556329422235934, c = 4.862444792338872, total energy = -31.847073035569878

Attempting to perform relaxation using initial lattice constant guess of a = [2.96316882] Angstroms and c = 5.806601308947705 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.847073
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.9556329117528053, c = 4.862444842453135, total energy = -31.84707303556985

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

 Final lattice Constants:
   a = 2.9556329595839386 Angstroms, c = 4.8624448834956215 Angstroms, c/a = 1.645145

 Total energy: -31.847073035569895 eV

 Cohesive energy: -7.961768258892474 eV/atom

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