Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Ta__MO_568033730744_001
Computed model cutoff of 6.3953377773240545 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))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.927500954270366, total energy = -31.446826317381284

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: -31.446826
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9275009717326608, total energy = -31.44682631738133

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: -31.446826
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.927501007448882, total energy = -31.446826317381262

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: -31.446826
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.927500963641803, total energy = -31.44682631738129

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: -31.446826
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9275010033743487, total energy = -31.446826317381284

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: -31.446826
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9275009417906417, total energy = -31.446826317381312

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: -31.446826
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.9275009637698535, total energy = -31.44682631738125

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: -31.446826
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.9275010065175593, total energy = -31.446826317381266

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: -31.446826
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.92750092148781, total energy = -31.446826317381166

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: -31.446826
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9275009591132415, total energy = -31.446826317381248

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: -31.446826
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9275009717326617, total energy = -31.44682631738134

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: -31.446826
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.927501040697097, total energy = -31.44682631738121

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: -31.446826
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.927501007448882, total energy = -31.446826317381262

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: -31.446826
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.927500983816572, total energy = -31.446826317381337

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: -31.446826
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.927500948403031, total energy = -31.446826317381294

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: -31.446826
         Iterations: 32
         Function evaluations: 67
Results for this minimization:
  a = 2.9275009978708115, total energy = -31.4468263173813

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: -31.446826
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.92750099003315, total energy = -31.446826317381312

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: -31.446826
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.927500922814943, total energy = -31.446826317381205

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: -31.446826
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.92750094179064, total energy = -31.446826317381312

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: -31.446826
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.927500981371849, total energy = -31.446826317381262

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: -31.446826
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9275009572505946, total energy = -31.44682631738117

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: -31.446826
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.927500966796649, total energy = -31.446826317381298

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: -31.446826
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.927500995429, total energy = -31.446826317381316

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: -31.446826
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9275009618897427, total energy = -31.446826317381323

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: -31.446826
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9275009214878063, total energy = -31.44682631738116

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: -31.446826
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9275010436773314, total energy = -31.44682631738116

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: -31.446826
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.927501016308086, total energy = -31.446826317381348

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: -31.446826
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.927501020487398, total energy = -31.446826317381294

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: -31.446826
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.927500971732657, total energy = -31.446826317381362

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: -31.446826
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.927501002248026, total energy = -31.446826317381323

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: -31.446826
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.9275010406971, total energy = -31.44682631738121

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: -31.446826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.927500990635596, total energy = -31.446826317381333

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: -31.446826
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.927501007448882, total energy = -31.446826317381262

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: -31.446826
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.9275009692646523, total energy = -31.446826317381365

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: -31.446826
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.927500982105264, total energy = -31.446826317381426

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: -31.446826
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9275010082870745, total energy = -31.44682631738125

Attempting to perform relaxation using initial lattice constant guess of a = 5.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.92750094827497, total energy = -31.44682631738123

Attempting to perform relaxation using initial lattice constant guess of a = 5.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9275009661796503, total energy = -31.446826317381294

Attempting to perform relaxation using initial lattice constant guess of a = 5.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.927500997937745, total energy = -31.44682631738131

Attempting to perform relaxation using initial lattice constant guess of a = 5.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.927500980813054, total energy = -31.44682631738126

Attempting to perform relaxation using initial lattice constant guess of a = 6.0 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.927500990033143, total energy = -31.446826317381305

Attempting to perform relaxation using initial lattice constant guess of a = 6.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.927501035766905, total energy = -31.446826317381195

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.927500922814943, total energy = -31.446826317381205

Attempting to perform relaxation using initial lattice constant guess of a = 6.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9275009655946613, total energy = -31.44682631738127

Attempting to perform relaxation using initial lattice constant guess of a = 6.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -31.446826
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9275009272620025, total energy = -31.446826317381127

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.92750098] Angstroms and c = 3.824471268082413 = ([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 = 6.5 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 = [2.92750098] Angstroms and c = 4.063500722337564 = ([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 = 6.5 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 = [2.92750098] Angstroms and c = 4.3025301765927155 = ([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 = 6.5 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 = [2.92750098] Angstroms and c = 4.541559630847867 = ([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 = 6.5 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 = [2.92750098] Angstroms and c = 4.780589085103018 = ([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 = 6.5 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 = [2.92750098] Angstroms and c = 5.019618539358169 = ([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 = 6.5 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 = [2.92750098] Angstroms and c = 5.25864799361332 = ([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 = 6.5 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 = [2.92750098] Angstroms and c = 5.497677447868472 = ([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 = 6.5 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 = [2.92750098] Angstroms and c = 5.736706902123623 = ([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 = 6.5 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 = [2.92750098] Angstroms, c = [4.78058909] Angstroms, c/a = 1.632993

 Total energy: -31.446826317381426 eV

 Cohesive energy: -7.861706579345356 eV/atom

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