Element = Lattice = Model = Element: Ta
Lattice: hcp
Model: EAM_MagneticCubic_DerletNguyenDudarev_2007_Ta__MO_261274272789_002
Computed model cutoff of 4.458593970090183 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: -31.883442
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.9579154275357755, total energy = -31.88344246132263

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: -31.883442
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.9579153917729837, total energy = -31.883442461322566

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: -31.883442
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 2.9579154131934047, total energy = -31.883442461322623

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: -31.883442
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9579154112085297, total energy = -31.883442461322588

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: -31.883442
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9579154162900547, total energy = -31.8834424613226

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: -31.883442
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.957915410248099, total energy = -31.88344246132263

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: -31.883442
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.9579153977334496, total energy = -31.88344246132261

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: -31.883442
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9579154015518725, total energy = -31.883442461322563

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: -31.883442
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9579154163599037, total energy = -31.883442461322645

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: -31.883442
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9579154074192058, total energy = -31.883442461322584

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: -31.883442
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.957915445417166, total energy = -31.88344246132257

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: -31.883442
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9579154247418025, total energy = -31.88344246132263

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: -31.883442
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.957915406441316, total energy = -31.883442461322588

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: -31.883442
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.9579154303297415, total energy = -31.883442461322623

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: -31.883442
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9579154131293763, total energy = -31.88344246132264

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: -31.883442
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9579154096543796, total energy = -31.883442461322623

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: -31.883442
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.9579154163599015, total energy = -31.883442461322588

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: -31.883442
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.95791542121151, total energy = -31.883442461322627

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: -31.883442
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.957915438094643, total energy = -31.88344246132259

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: -31.883442
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9579153985570876, total energy = -31.883442461322577

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: -31.883442
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9579154286999243, total energy = -31.883442461322627

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: -31.883442
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.9579154362203535, total energy = -31.8834424613226

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: -31.883442
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.9579153917729855, total energy = -31.88344246132257

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: -31.883442
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9579154275474115, total energy = -31.883442461322584

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: -31.883442
         Iterations: 38
         Function evaluations: 77
Results for this minimization:
  a = 2.957915415242313, total energy = -31.883442461322616

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: -31.883442
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9579154398292307, total energy = -31.88344246132258

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: -31.883442
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9579154359176743, total energy = -31.883442461322602

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: -31.883442
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9579154144594213, total energy = -31.88344246132263

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: -31.883442
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.957915400154885, total energy = -31.883442461322602

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.95791542] Angstroms and c = 3.864204518610036 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.883442
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.9579154261868954, c = 4.830255681945461, total energy = -31.883442461322627

Attempting to perform relaxation using initial lattice constant guess of a = [2.95791542] Angstroms and c = 4.105717301023163 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.883442
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 2.9579154241134935, c = 4.830255677429571, total energy = -31.88344246132261

Attempting to perform relaxation using initial lattice constant guess of a = [2.95791542] Angstroms and c = 4.3472300834362905 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.883442
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.9579154081885566, c = 4.8302557076954695, total energy = -31.8834424613226

Attempting to perform relaxation using initial lattice constant guess of a = [2.95791542] Angstroms and c = 4.588742865849417 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.883442
         Iterations: 68
         Function evaluations: 143
Results for this minimization:
  a = 2.957915405036153, c = 4.83025565362395, total energy = -31.883442461322613

Attempting to perform relaxation using initial lattice constant guess of a = [2.95791542] Angstroms and c = 4.830255648262543 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.883442
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 2.957915425913595, c = 4.83025562173661, total energy = -31.883442461322634

Attempting to perform relaxation using initial lattice constant guess of a = [2.95791542] Angstroms and c = 5.071768430675671 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.883442
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.957915431850819, c = 4.830255616476665, total energy = -31.88344246132262

Attempting to perform relaxation using initial lattice constant guess of a = [2.95791542] Angstroms and c = 5.313281213088798 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.883442
         Iterations: 72
         Function evaluations: 156
Results for this minimization:
  a = 2.957915423889352, c = 4.830255609905132, total energy = -31.883442461322616

Attempting to perform relaxation using initial lattice constant guess of a = [2.95791542] Angstroms and c = 5.5547939955019245 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.883442
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 2.9579153815682147, c = 4.830255689686024, total energy = -31.883442461322574

Attempting to perform relaxation using initial lattice constant guess of a = [2.95791542] Angstroms and c = 5.796306777915051 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -31.883442
         Iterations: 74
         Function evaluations: 150
Results for this minimization:
  a = 2.957915405423085, c = 4.830255671935879, total energy = -31.883442461322606

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

 Final lattice Constants:
   a = [2.95791542] Angstroms, c = [4.83025565] Angstroms, c/a = 1.632993

 Total energy: -31.883442461322645 eV

 Cohesive energy: -7.970860615330661 eV/atom

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



 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73
 Potential info: Ta potential
 Atomic number:           73