Element = Lattice = Model = Element: Al
Lattice: hcp
Model: EAM_Dynamo_MendelevKramerBecker_2008_Al__MO_106969701023_005
Computed model cutoff of 6.49939311221245 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: 41
         Function evaluations: 87
Results for this minimization:
  a = 2.8631743702106234, total energy = -13.528469407359642

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: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.8631742730736764, total energy = -13.528469407359568

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 = 2.8631742678582692, total energy = -13.528469407359596

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8631742987781763, total energy = -13.528469407359646

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.863174323923886, total energy = -13.528469407359651

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 = 2.8631743304431465, total energy = -13.528469407359683

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: 74
Results for this minimization:
  a = 2.8631743311882034, total energy = -13.52846940735964

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.863174331188203, total energy = -13.528469407359642

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: 79
Results for this minimization:
  a = 2.8631743844598523, total energy = -13.528469407359609

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8631743473233655, total energy = -13.528469407359609

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: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.863174314424396, total energy = -13.528469407359701

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: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.863174370210618, total energy = -13.528469407359657

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: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.8631743691861633, total energy = -13.528469407359632

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.863174273003824, total energy = -13.5284694073596

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.8631742764264345, total energy = -13.528469407359609

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: 75
Results for this minimization:
  a = 2.863174306903966, total energy = -13.528469407359633

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.8631743305595583, total energy = -13.528469407359689

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: 36
         Function evaluations: 80
Results for this minimization:
  a = 2.8631742987781754, total energy = -13.52846940735964

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: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8631742865021783, total energy = -13.528469407359623

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.863174323923886, total energy = -13.528469407359625

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: 38
         Function evaluations: 80
Results for this minimization:
  a = 2.863174317608351, total energy = -13.528469407359674

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: 78
Results for this minimization:
  a = 2.863174330443143, total energy = -13.528469407359696

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8631743661127986, total energy = -13.528469407359633

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: 77
Results for this minimization:
  a = 2.8631743311882, total energy = -13.528469407359637

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 = 2.8631742983707227, total energy = -13.528469407359674

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8631743311881985, total energy = -13.528469407359626

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: 85
Results for this minimization:
  a = 2.863174360789707, total energy = -13.528469407359637

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: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.863174384459854, total energy = -13.528469407359601

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 = 2.863174306601283, total energy = -13.528469407359578

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: 86
Results for this minimization:
  a = 2.863174293190241, total energy = -13.528469407359637

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: 82
Results for this minimization:
  a = 2.8631743223668265, total energy = -13.52846940735964

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8631743144243944, total energy = -13.528469407359676

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: 80
Results for this minimization:
  a = 2.8631743045523783, total energy = -13.528469407359642

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: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8631743702106145, total energy = -13.528469407359646

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: 83
Results for this minimization:
  a = 2.8631743075093254, total energy = -13.52846940735962

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: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.863174369186158, total energy = -13.52846940735963

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 = 2.863174310189786, total energy = -13.528469407359648

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: 84
Results for this minimization:
  a = 2.8631742238998337, total energy = -13.52846940735949

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 = -1.483193908406131e-11

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.86317431] Angstroms and c = 3.740435261324169 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 68
         Function evaluations: 151
Results for this minimization:
  a = 2.845079790780218, c = 4.746208579760012, total energy = -13.532569506875905

Attempting to perform relaxation using initial lattice constant guess of a = [2.86317431] Angstroms and c = 3.9742124651569295 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 75
         Function evaluations: 161
Results for this minimization:
  a = 2.845079750090641, c = 4.746208677595271, total energy = -13.53256950687591

Attempting to perform relaxation using initial lattice constant guess of a = [2.86317431] Angstroms and c = 4.20798966898969 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 2.8450797953863396, c = 4.746208578446594, total energy = -13.532569506875914

Attempting to perform relaxation using initial lattice constant guess of a = [2.86317431] Angstroms and c = 4.44176687282245 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 62
         Function evaluations: 139
Results for this minimization:
  a = 2.84507974395457, c = 4.746208714568924, total energy = -13.5325695068759

Attempting to perform relaxation using initial lattice constant guess of a = [2.86317431] Angstroms and c = 4.6755440766552105 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.845079752396134, c = 4.746208803307914, total energy = -13.53256950687592

Attempting to perform relaxation using initial lattice constant guess of a = [2.86317431] Angstroms and c = 4.909321280487971 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.845079785229414, c = 4.746208786882559, total energy = -13.532569506875905

Attempting to perform relaxation using initial lattice constant guess of a = [2.86317431] Angstroms and c = 5.143098484320731 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 71
         Function evaluations: 156
Results for this minimization:
  a = 2.8450797854743826, c = 4.7462087919998766, total energy = -13.532569506875927

Attempting to perform relaxation using initial lattice constant guess of a = [2.86317431] Angstroms and c = 5.376875688153492 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 74
         Function evaluations: 158
Results for this minimization:
  a = 2.845079778006594, c = 4.746208900725048, total energy = -13.532569506875864

Attempting to perform relaxation using initial lattice constant guess of a = [2.86317431] Angstroms and c = 5.610652891986252 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.532570
         Iterations: 74
         Function evaluations: 159
Results for this minimization:
  a = 2.845079784557469, c = 4.746208687802346, total energy = -13.532569506875957

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

 Final lattice Constants:
   a = 2.845079784557469 Angstroms, c = 4.746208687802346 Angstroms, c/a = 1.668216

 Total energy: -13.532569506875957 eV

 Cohesive energy: -3.383142376718989 eV/atom

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