Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_MendelevAstaRahman_2009_AlMg__MO_658278549784_005
Computed model cutoff of 6.499696295708451 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))

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))

Optimization terminated successfully.
         Current function value: -13.528469
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.86316642761231, total energy = -13.528469474091713

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: -13.528469
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.863166429847482, total energy = -13.528469474091729

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: -13.528469
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8631665095686927, total energy = -13.528469474091814

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: -13.528469
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.863166479580104, total energy = -13.528469474091793

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: -13.528469
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.863166519848164, total energy = -13.528469474091754

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: -13.528469
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.8631664752960235, total energy = -13.528469474091821

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: -13.528469
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8631664909422416, total energy = -13.52846947409176

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: -13.528469
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8631665527820593, total energy = -13.528469474091787

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: -13.528469
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.863166474737225, total energy = -13.528469474091791

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: -13.528469
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.863166421710048, total energy = -13.528469474091713

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: -13.528469
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8631664776243277, total energy = -13.528469474091782

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: -13.528469
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.8631664276123048, total energy = -13.528469474091708

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: -13.528469
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.863166405074298, total energy = -13.528469474091661

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: -13.528469
         Iterations: 33
         Function evaluations: 75
Results for this minimization:
  a = 2.8631664298474786, total energy = -13.528469474091732

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: -13.528469
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.863166460301727, total energy = -13.528469474091764

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: -13.528469
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.86316650956869, total energy = -13.528469474091738

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: -13.528469
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.863166482583619, total energy = -13.528469474091777

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: -13.528469
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.8631664795801033, total energy = -13.528469474091782

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: -13.528469
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.863166518899378, total energy = -13.52846947409175

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: -13.528469
         Iterations: 37
         Function evaluations: 76
Results for this minimization:
  a = 2.8631665199354757, total energy = -13.528469474091759

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: -13.528469
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8631664190441337, total energy = -13.528469474091718

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: -13.528469
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.86316647529602, total energy = -13.528469474091814

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: -13.528469
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.863166433759034, total energy = -13.528469474091729

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: -13.528469
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.863166490942238, total energy = -13.52846947409179

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: -13.528469
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8631665017455816, total energy = -13.52846947409178

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: -13.528469
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.8631665393710097, total energy = -13.528469474091741

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: -13.528469
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.863166481861844, total energy = -13.528469474091837

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: -13.528469
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8631664749584167, total energy = -13.528469474091779

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: -13.528469
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8631664974614948, total energy = -13.528469474091825

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: -13.528469
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.86316642165184, total energy = -13.528469474091683

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: -13.528469
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8631664553424296, total energy = -13.528469474091784

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: -13.528469
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8631664778687984, total energy = -13.528469474091771

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: -13.528469
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.863166485400872, total energy = -13.528469474091812

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: -13.528469
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8631664438755218, total energy = -13.528469474091795

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: -13.528469
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.863166461524088, total energy = -13.528469474091793

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: -13.528469
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.863166400790209, total energy = -13.528469474091667

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: -13.528469
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8631665361172036, total energy = -13.528469474091686

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: -13.528469
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8631665008142515, total energy = -13.52846947409178

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: 0.000000
         Iterations: 34
         Function evaluations: 99
Results for this minimization:
  a = 6.737500000000001, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.5625, total energy = 0.0

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: 0.000000
         Iterations: 33
         Function evaluations: 97
Results for this minimization:
  a = 6.6937500000000005, total energy = 0.0

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: -0.000000
         Iterations: 33
         Function evaluations: 75
Results for this minimization:
  a = 6.499974325712538, total energy = -1.778664723441228e-13

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86316648] Angstroms and c = 3.740425028907299 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 2.845084512543866, c = 4.746197040637022, total energy = -13.532569566271615

Attempting to perform relaxation using initial lattice constant guess of a = [2.86316648] Angstroms and c = 3.974201593214005 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 75
         Function evaluations: 155
Results for this minimization:
  a = 2.8450845341755926, c = 4.74619690480524, total energy = -13.532569566271638

Attempting to perform relaxation using initial lattice constant guess of a = [2.86316648] Angstroms and c = 4.207978157520711 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 71
         Function evaluations: 150
Results for this minimization:
  a = 2.845084575949725, c = 4.746196951293657, total energy = -13.532569566271636

Attempting to perform relaxation using initial lattice constant guess of a = [2.86316648] Angstroms and c = 4.441754721827417 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 63
         Function evaluations: 144
Results for this minimization:
  a = 2.8450845420021773, c = 4.746196999370378, total energy = -13.532569566271617

Attempting to perform relaxation using initial lattice constant guess of a = [2.86316648] Angstroms and c = 4.675531286134123 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.8450846213399474, c = 4.746197072791048, total energy = -13.532569566271638

Attempting to perform relaxation using initial lattice constant guess of a = [2.86316648] Angstroms and c = 4.909307850440829 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 66
         Function evaluations: 144
Results for this minimization:
  a = 2.8450845006159167, c = 4.746197022588021, total energy = -13.53256956627166

Attempting to perform relaxation using initial lattice constant guess of a = [2.86316648] Angstroms and c = 5.143084414747535 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 69
         Function evaluations: 151
Results for this minimization:
  a = 2.84508455621725, c = 4.746197077597419, total energy = -13.532569566271654

Attempting to perform relaxation using initial lattice constant guess of a = [2.86316648] Angstroms and c = 5.376860979054241 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 80
         Function evaluations: 163
Results for this minimization:
  a = 2.8450845753439227, c = 4.746196965364783, total energy = -13.532569566271679

Attempting to perform relaxation using initial lattice constant guess of a = [2.86316648] Angstroms and c = 5.610637543360947 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.8450845806061746, c = 4.7461970237660225, total energy = -13.532569566271635

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

 Final lattice Constants:
   a = 2.8450845753439227 Angstroms, c = 4.746196965364783 Angstroms, c/a = 1.668209

 Total energy: -13.532569566271679 eV

 Cohesive energy: -3.3831423915679197 eV/atom

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