Element = Lattice = Model = Element: Pd
Lattice: hcp
Model: EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
Computed model cutoff of 6.992368606701515 Angstroms
Computed isolated atomic energy of -0.004121033 eV for species Pd

==============================================================================
==============================================================================
 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))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 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 = 1.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.875 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 = 1.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.0 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 = 2.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -20.350542
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7216477516572932, total energy = -20.350542344583925

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: -20.350542
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7216477569192654, total energy = -20.350542344583985

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: -20.350542
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 2.7216477852402012, total energy = -20.350542344583882

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: -20.350542
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.7216477803885937, total energy = -20.350542344583875

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: -20.350542
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 2.7216477519599724, total energy = -20.350542344583854

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: -20.350542
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.721647792623844, total energy = -20.3505423445838

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: -20.350542
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.721647782996296, total energy = -20.350542344583907

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: -20.350542
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7216477546840903, total energy = -20.350542344583904

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: -20.350542
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.721647738944739, total energy = -20.35054234458386

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: -20.350542
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.721647766744718, total energy = -20.35054234458392

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: -20.350542
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.721647780388593, total energy = -20.350542344583857

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: -7.570931
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.6776906278450046, total energy = -7.570931221615789

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: -20.350542
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7216477699228543, total energy = -20.350542344583893

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: -10.483793
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.389721222221851, total energy = -10.483792984474112

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: -10.483793
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 4.389721241500229, total energy = -10.483792984474109

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: -10.483793
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 4.389721232280136, total energy = -10.483792984474114

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: -10.483793
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 4.389721202105285, total energy = -10.483792984474093

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: -10.483793
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 4.389721232280135, total energy = -10.483792984474112

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: -10.483793
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 4.389721231069416, total energy = -10.48379298447412

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: -10.483793
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 4.389721245726103, total energy = -10.48379298447411

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: -10.483793
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 4.389721243652457, total energy = -10.483792984474105

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: -10.483793
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 4.389721248694697, total energy = -10.483792984474103

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: -10.483793
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 4.389721224059757, total energy = -10.483792984474102

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: -10.483793
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 4.389721248298883, total energy = -10.483792984474096

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: -10.483793
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 4.389721238240599, total energy = -10.483792984474105

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: -10.483793
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 4.389721212163568, total energy = -10.483792984474103

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: -10.483793
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 4.389721221383663, total energy = -10.483792984474105

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: -2.892000
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 6.2767742313444606, total energy = -2.8919999546662973

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: -2.892000
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 6.276774229947478, total energy = -2.891999954666297

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: -2.892000
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 6.276774243288672, total energy = -2.8919999546662982

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: -2.892000
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 6.276774248108269, total energy = -2.8919999546662964

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: -2.892000
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 6.276774251461031, total energy = -2.8919999546662956

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: -2.892000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 6.276774237118662, total energy = -2.891999954666297

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: -2.892000
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 6.276774250436574, total energy = -2.891999954666295

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: -2.892000
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 6.2767742448297215, total energy = -2.8919999546662964

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: -2.892000
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 6.276774249970912, total energy = -2.8919999546662956

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: -2.892000
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 6.276774250855668, total energy = -2.8919999546662947

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: -2.892000
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 6.276774238119834, total energy = -2.891999954666297

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: -2.892000
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 6.276774231344461, total energy = -2.891999954666297

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: -2.892000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 6.276774252357425, total energy = -2.8919999546662956

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.72164776] Angstroms and c = 3.5555457408227125 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.548770
         Iterations: 71
         Function evaluations: 155
Results for this minimization:
  a = 2.804141172574262, c = 4.192730937836605, total energy = -20.54876954063797

Attempting to perform relaxation using initial lattice constant guess of a = [2.72164776] Angstroms and c = 3.777767349624132 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.548770
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 2.8041412334890774, c = 4.19273085808597, total energy = -20.548769540637952

Attempting to perform relaxation using initial lattice constant guess of a = [2.72164776] Angstroms and c = 3.999988958425552 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.548770
         Iterations: 64
         Function evaluations: 142
Results for this minimization:
  a = 2.80414121728494, c = 4.192730818300837, total energy = -20.5487695406379

Attempting to perform relaxation using initial lattice constant guess of a = [2.72164776] Angstroms and c = 4.222210567226972 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.548770
         Iterations: 73
         Function evaluations: 150
Results for this minimization:
  a = 2.804141192105549, c = 4.192730906561241, total energy = -20.548769540637934

Attempting to perform relaxation using initial lattice constant guess of a = [2.72164776] Angstroms and c = 4.444432176028391 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.548770
         Iterations: 69
         Function evaluations: 148
Results for this minimization:
  a = 2.804141153285538, c = 4.192730919888675, total energy = -20.54876954063794

Attempting to perform relaxation using initial lattice constant guess of a = [2.72164776] Angstroms and c = 4.666653784829811 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.548770
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.80414120372915, c = 4.192730878867749, total energy = -20.54876954063801

Attempting to perform relaxation using initial lattice constant guess of a = [2.72164776] Angstroms and c = 4.888875393631231 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.548770
         Iterations: 75
         Function evaluations: 156
Results for this minimization:
  a = 2.8041412081424193, c = 4.192730806034737, total energy = -20.548769540637974

Attempting to perform relaxation using initial lattice constant guess of a = [2.72164776] Angstroms and c = 5.1110970024326505 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.548770
         Iterations: 77
         Function evaluations: 158
Results for this minimization:
  a = 2.804141174940873, c = 4.192730925217624, total energy = -20.548769540638006

Attempting to perform relaxation using initial lattice constant guess of a = [2.72164776] Angstroms and c = 5.33331861123407 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -20.548770
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 2.8041412033539626, c = 4.192730898750727, total energy = -20.548769540637934

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

 Final lattice Constants:
   a = 2.80414120372915 Angstroms, c = 4.192730878867749 Angstroms, c/a = 1.495192

 Total energy: -20.54876954063801 eV

 Cohesive energy: -5.137192385159502 eV/atom

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