Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: MEAM_LAMMPS_LeeBaskesKim_2001_Ta__MO_644143102837_000
Computed model cutoff of 3.999999990463257 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: -31.863283
         Iterations: 40
         Function evaluations: 82
Results for this minimization:
  a = 2.9482512462884225, total energy = -31.863282596413768

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: -31.863283
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.948251238465308, total energy = -31.86328259641376

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: -31.863283
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.9482512469403446, total energy = -31.86328259641377

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: -31.863283
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.948251241585246, total energy = -31.863282596413764

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: -31.863283
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9482512471266125, total energy = -31.86328259641377

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: -31.863283
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.948251244868154, total energy = -31.86328259641377

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: -31.863283
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9482512418180695, total energy = -31.863282596413764

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: -31.863283
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.94825124705676, total energy = -31.863282596413764

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: -31.863283
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.948251245543363, total energy = -31.863282596413768

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: -31.863283
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.948251230828465, total energy = -31.86328259641376

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: -31.863283
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.948251238465309, total energy = -31.86328259641376

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: -31.863283
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.948251258395611, total energy = -31.86328259641376

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: -31.863283
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9482512515969574, total energy = -31.863282596413764

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: -31.863283
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9482512379065158, total energy = -31.863282596413764

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: -31.863283
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 2.9482512376154775, total energy = -31.86328259641377

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: -31.863283
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9482512356946247, total energy = -31.86328259641376

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: -31.863283
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9482512472663074, total energy = -31.863282596413768

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: -31.863283
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9482512560207397, total energy = -31.863282596413768

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: -31.863283
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.948251252435148, total energy = -31.86328259641376

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: -31.863283
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9482512422371654, total energy = -31.863282596413768

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: -31.863283
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 2.9482512535527334, total energy = -31.863282596413764

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: -31.863283
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.948251225054263, total energy = -31.863282596413754

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: -31.863283
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9482512418180704, total energy = -31.863282596413768

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: -31.863283
         Iterations: 35
         Function evaluations: 72
Results for this minimization:
  a = 2.9482512490358186, total energy = -31.863282596413775

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: -31.863283
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.948251235485076, total energy = -31.86328259641377

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.94825125] Angstroms and c = 3.85157930328583 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.866139
         Iterations: 78
         Function evaluations: 167
Results for this minimization:
  a = 2.9612247736366477, c = 4.772578360999194, total energy = -31.866138678695535

Attempting to perform relaxation using initial lattice constant guess of a = [2.94825125] Angstroms and c = 4.092303009741194 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.866139
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.9612248081674633, c = 4.772578322557689, total energy = -31.866138678695517

Attempting to perform relaxation using initial lattice constant guess of a = [2.94825125] Angstroms and c = 4.333026716196558 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.866139
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.961224792718606, c = 4.772578301105307, total energy = -31.86613867869552

Attempting to perform relaxation using initial lattice constant guess of a = [2.94825125] Angstroms and c = 4.573750422651922 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.866139
         Iterations: 61
         Function evaluations: 138
Results for this minimization:
  a = 2.961224790314602, c = 4.772578335403759, total energy = -31.86613867869552

Attempting to perform relaxation using initial lattice constant guess of a = [2.94825125] Angstroms and c = 4.8144741291072854 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.866139
         Iterations: 67
         Function evaluations: 142
Results for this minimization:
  a = 2.96122477580924, c = 4.7725783718654196, total energy = -31.866138678695513

Attempting to perform relaxation using initial lattice constant guess of a = [2.94825125] Angstroms and c = 5.05519783556265 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.866139
         Iterations: 71
         Function evaluations: 149
Results for this minimization:
  a = 2.9612247812108237, c = 4.772578353319697, total energy = -31.86613867869552

Attempting to perform relaxation using initial lattice constant guess of a = [2.94825125] Angstroms and c = 5.295921542018014 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.866139
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.9612247767265067, c = 4.772578345522847, total energy = -31.866138678695528

Attempting to perform relaxation using initial lattice constant guess of a = [2.94825125] Angstroms and c = 5.536645248473378 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.866139
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.961224779228467, c = 4.77257832192608, total energy = -31.866138678695524

Attempting to perform relaxation using initial lattice constant guess of a = [2.94825125] Angstroms and c = 5.7773689549287415 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.866139
         Iterations: 81
         Function evaluations: 166
Results for this minimization:
  a = 2.9612247909929534, c = 4.772578324667123, total energy = -31.866138678695524

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

 Final lattice Constants:
   a = 2.9612247736366477 Angstroms, c = 4.772578360999194 Angstroms, c/a = 1.611691

 Total energy: -31.866138678695535 eV

 Cohesive energy: -7.966534669673884 eV/atom

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