Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
Computed model cutoff of 6.499393158964844 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 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 = 1.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -13.366765
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.858179629221561, total energy = -13.366765441220574

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: -13.366765
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.858179568592459, total energy = -13.366765441220556

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: -13.366765
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.858179574366659, total energy = -13.366765441220542

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: -13.366765
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.858179569244387, total energy = -13.366765441220531

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: -13.366765
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.85817960202112, total energy = -13.36676544122061

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: -13.366765
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8581796053797, total energy = -13.366765441220581

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: -13.366765
         Iterations: 35
         Function evaluations: 78
Results for this minimization:
  a = 2.8581795801990646, total energy = -13.366765441220561

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: -13.366765
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.85817957483232, total energy = -13.366765441220549

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: -13.366765
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.8581796109676367, total energy = -13.366765441220545

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: -13.366765
         Iterations: 32
         Function evaluations: 73
Results for this minimization:
  a = 2.8581796091748406, total energy = -13.366765441220581

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: -13.366765
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8581796072423455, total energy = -13.366765441220581

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: -13.366765
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8581795840058475, total energy = -13.366765441220547

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: -13.366765
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.8581795742502436, total energy = -13.366765441220577

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: -13.366765
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8581796413287512, total energy = -13.366765441220547

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: -13.366765
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.8581796772545207, total energy = -13.366765441220505

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: -13.366765
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8581796109676354, total energy = -13.366765441220544

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: -13.366765
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8581795695237804, total energy = -13.36676544122049

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: -13.366765
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.858179607981583, total energy = -13.366765441220577

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: -13.366765
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.85817960053682, total energy = -13.366765441220542

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: -13.366765
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8581795692443834, total energy = -13.366765441220528

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: -13.366765
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.858179610967637, total energy = -13.366765441220558

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: -13.366765
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8581796009326332, total energy = -13.366765441220556

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: -13.366765
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 2.8581795692443848, total energy = -13.366765441220544

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: -13.366765
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.858179605379696, total energy = -13.366765441220604

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: -13.366765
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.8581795701058574, total energy = -13.366765441220533

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: -13.366765
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.858179565711181, total energy = -13.366765441220542

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: -13.366765
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.858179537206885, total energy = -13.36676544122058

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: -13.366765
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.85817957483232, total energy = -13.366765441220563

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: -13.366765
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.858179608013592, total energy = -13.366765441220599

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: -13.366765
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.858179610967634, total energy = -13.366765441220553

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: -13.366765
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8581795706093556, total energy = -13.366765441220542

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: -13.366765
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.8581796078942685, total energy = -13.366765441220576

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: -13.366765
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.858179645612836, total energy = -13.36676544122049

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: -13.366765
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 2.85817960724234, total energy = -13.366765441220604

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: -13.366765
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8581796747632304, total energy = -13.366765441220483

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: -13.366765
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.8581796109676283, total energy = -13.366765441220544

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: 52
         Function evaluations: 114
Results for this minimization:
  a = 6.499999999848669, total energy = -1.8297191460990523e-11

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.8581796] Angstroms and c = 3.733910196364181 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.369329
         Iterations: 69
         Function evaluations: 149
Results for this minimization:
  a = 2.8434507613560984, c = 4.720830188015604, total energy = -13.369329172029206

Attempting to perform relaxation using initial lattice constant guess of a = [2.8581796] Angstroms and c = 3.9672795836369423 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.369329
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.843450714196816, c = 4.7208300469339886, total energy = -13.369329172029243

Attempting to perform relaxation using initial lattice constant guess of a = [2.8581796] Angstroms and c = 4.200648970909704 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.369329
         Iterations: 65
         Function evaluations: 140
Results for this minimization:
  a = 2.843450724887934, c = 4.720829925231614, total energy = -13.36932917202925

Attempting to perform relaxation using initial lattice constant guess of a = [2.8581796] Angstroms and c = 4.434018358182465 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.369329
         Iterations: 67
         Function evaluations: 147
Results for this minimization:
  a = 2.8434506605067256, c = 4.720830108618486, total energy = -13.369329172029252

Attempting to perform relaxation using initial lattice constant guess of a = [2.8581796] Angstroms and c = 4.667387745455226 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.369329
         Iterations: 63
         Function evaluations: 143
Results for this minimization:
  a = 2.8434507136122145, c = 4.72082998536681, total energy = -13.369329172029234

Attempting to perform relaxation using initial lattice constant guess of a = [2.8581796] Angstroms and c = 4.900757132727987 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.369329
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.843450666986225, c = 4.720830110685892, total energy = -13.369329172029241

Attempting to perform relaxation using initial lattice constant guess of a = [2.8581796] Angstroms and c = 5.134126520000748 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.369329
         Iterations: 72
         Function evaluations: 157
Results for this minimization:
  a = 2.8434507348924454, c = 4.720829826021449, total energy = -13.369329172029238

Attempting to perform relaxation using initial lattice constant guess of a = [2.8581796] Angstroms and c = 5.36749590727351 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.369329
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.8434507041077755, c = 4.720830132495544, total energy = -13.369329172029241

Attempting to perform relaxation using initial lattice constant guess of a = [2.8581796] Angstroms and c = 5.600865294546271 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.369329
         Iterations: 80
         Function evaluations: 164
Results for this minimization:
  a = 2.843450715915145, c = 4.72083002949992, total energy = -13.369329172029246

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

 Final lattice Constants:
   a = 2.8434506605067256 Angstroms, c = 4.720830108618486 Angstroms, c/a = 1.660247

 Total energy: -13.369329172029252 eV

 Cohesive energy: -3.342332293007313 eV/atom

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