Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
Computed model cutoff of 6.999699065089246 Angstroms
Computed isolated atomic energy of 0.0 eV for species Al

==============================================================================
==============================================================================
 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: -14.941593
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.955515122413639, total energy = -14.94159303320226

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: -14.941593
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.955515130702405, total energy = -14.94159303320226

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: -14.941593
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.955515155568719, total energy = -14.941593033202258

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: -14.941593
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.955515136010952, total energy = -14.941593033202253

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: -14.941593
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9555150985717815, total energy = -14.941593033202238

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: -14.941593
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.9555151256965493, total energy = -14.941593033202254

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: -14.941593
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9555151412263507, total energy = -14.941593033202258

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: -14.941593
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9555151278036647, total energy = -14.94159303320226

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: -14.941593
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.955515122413638, total energy = -14.941593033202256

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: -14.941593
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9555151142179987, total energy = -14.941593033202246

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: -14.941593
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.9555151516571634, total energy = -14.94159303320225

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: -14.941593
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.9555151331471263, total energy = -14.941593033202263

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: -14.941593
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.955515155568719, total energy = -14.941593033202254

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: -14.941593
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.955515119875782, total energy = -14.941593033202242

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: -14.941593
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.955515129864216, total energy = -14.941593033202256

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: -14.941593
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.9555151531472807, total energy = -14.941593033202253

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: -14.941593
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.9555150985717775, total energy = -14.941593033202235

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: -14.941593
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.9555151516979095, total energy = -14.941593033202249

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: -14.941593
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.9555151256965466, total energy = -14.941593033202258

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: -14.941593
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.9555151297856352, total energy = -14.94159303320226

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: -14.941593
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.9555151399224986, total energy = -14.941593033202256

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: -14.941593
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.955515132844447, total energy = -14.941593033202256

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: -14.941593
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.955515155568719, total energy = -14.941593033202253

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: -14.941593
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.9555151151784202, total energy = -14.941593033202253

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: -14.941593
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.9555151209235184, total energy = -14.941593033202253

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: -14.941593
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.9555151298642164, total energy = -14.941593033202258

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: -14.941593
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.9555151015520083, total energy = -14.941593033202238

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: -14.941593
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.955515155568719, total energy = -14.941593033202253

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: -14.941593
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.9555151307024023, total energy = -14.941593033202263

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: -14.941593
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.955515117198228, total energy = -14.941593033202249

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: -14.941593
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.9555151331471294, total energy = -14.94159303320226

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: -14.941593
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.9555151253938643, total energy = -14.941593033202253

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: -14.941593
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.9555151285603642, total energy = -14.941593033202249

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: -14.941593
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 2.955515128120892, total energy = -14.941593033202249

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: -14.941593
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9555151206091965, total energy = -14.941593033202256

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: -14.941593
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9555151399225004, total energy = -14.941593033202256

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: -14.941593
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.9555151298642124, total energy = -14.941593033202253

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: -14.941593
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.955515124835074, total energy = -14.941593033202246

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: -14.941593
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.955515157431359, total energy = -14.941593033202253

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: -14.941593
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.955515139782799, total energy = -14.941593033202249

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: -14.941593
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.9555151298642093, total energy = -14.941593033202253

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: -14.941593
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.95551517726562, total energy = -14.941593033202244

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: -14.941593
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.9555151518434286, total energy = -14.941593033202253

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: -14.941593
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.9555151142179943, total energy = -14.941593033202246

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: -14.941593
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.955515125696541, total energy = -14.941593033202262

Attempting to perform relaxation using initial lattice constant guess of a = 6.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.941593
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.955515156127505, total energy = -14.94159303320226

Attempting to perform relaxation using initial lattice constant guess of a = 6.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.941593
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.955515129864212, total energy = -14.941593033202256

Attempting to perform relaxation using initial lattice constant guess of a = 6.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -14.941593
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.9555151039967313, total energy = -14.941593033202242

Attempting to perform relaxation using initial lattice constant guess of a = 7.0 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 = 7.3500000000000005, total energy = 0.0

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.95551513] Angstroms and c = 3.861068801751651 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.957445
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.0298862977927685, c = 4.655808003007432, total energy = -14.95744524166814

Attempting to perform relaxation using initial lattice constant guess of a = [2.95551513] Angstroms and c = 4.102385601861129 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.957445
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 3.029886358859402, c = 4.655807939555832, total energy = -14.957445241668145

Attempting to perform relaxation using initial lattice constant guess of a = [2.95551513] Angstroms and c = 4.3437024019706065 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.957445
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 3.0298862908411106, c = 4.655808027191398, total energy = -14.957445241668145

Attempting to perform relaxation using initial lattice constant guess of a = [2.95551513] Angstroms and c = 4.585019202080085 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.957445
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 3.0298863552529234, c = 4.6558079303659365, total energy = -14.957445241668143

Attempting to perform relaxation using initial lattice constant guess of a = [2.95551513] Angstroms and c = 4.826336002189564 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.957445
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 3.0298863164350864, c = 4.655808008698404, total energy = -14.957445241668143

Attempting to perform relaxation using initial lattice constant guess of a = [2.95551513] Angstroms and c = 5.067652802299041 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.957445
         Iterations: 70
         Function evaluations: 152
Results for this minimization:
  a = 3.029886253273295, c = 4.655808117772708, total energy = -14.957445241668136

Attempting to perform relaxation using initial lattice constant guess of a = [2.95551513] Angstroms and c = 5.308969602408519 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.957445
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.029886272077637, c = 4.655808087719645, total energy = -14.957445241668152

Attempting to perform relaxation using initial lattice constant guess of a = [2.95551513] Angstroms and c = 5.550286402517997 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.957445
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 3.0298863206496414, c = 4.655808017190971, total energy = -14.957445241668147

Attempting to perform relaxation using initial lattice constant guess of a = [2.95551513] Angstroms and c = 5.791603202627476 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.957445
         Iterations: 74
         Function evaluations: 160
Results for this minimization:
  a = 3.029886366899424, c = 4.655807899434926, total energy = -14.95744524166814

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

 Final lattice Constants:
   a = 3.029886272077637 Angstroms, c = 4.655808087719645 Angstroms, c/a = 1.536628

 Total energy: -14.957445241668152 eV

 Cohesive energy: -3.739361310417038 eV/atom

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