Element = Lattice = Model = Element: Pt
Lattice: hcp
Model: EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Pt__MO_757342646688_000
Computed model cutoff of 5.300000002458708 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pt

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

Optimization terminated successfully.
         Current function value: -23.067720
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.772790050506594, total energy = -23.06771988576849

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: -23.067720
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.7727900805883126, total energy = -23.067719885768597

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: -23.067720
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7727901034057147, total energy = -23.067719885768536

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: -23.067720
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.77279009548947, total energy = -23.067719885768575

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: -23.067720
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 2.7727900873869658, total energy = -23.067719885768536

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: -23.067720
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 2.7727901043836027, total energy = -23.067719885768568

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: -23.067720
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.7727901055593973, total energy = -23.06771988576859

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: -23.067720
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.77279010489583, total energy = -23.06771988576858

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: -23.067720
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.7727900788187974, total energy = -23.067719885768565

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: -23.067720
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.7727900905301794, total energy = -23.067719885768604

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: -23.067720
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 2.772790102288126, total energy = -23.06771988576858

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: -23.067720
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.7727900888945443, total energy = -23.067719885768568

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: -23.067720
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.772790034301578, total energy = -23.06771988576843

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: -23.067720
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.77279008370824, total energy = -23.067719885768565

Attempting to perform relaxation using initial lattice constant guess of a = 3.75 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 = 3.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 3.875 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 = 3.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -23.067720
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.7727900788187965, total energy = -23.06771988576856

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: -23.067720
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.772790078155231, total energy = -23.06771988576856

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: -23.067720
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 2.772790076729141, total energy = -23.067719885768593

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: -23.067720
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.7727901043836027, total energy = -23.06771988576858

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: -23.067720
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.7727901034057103, total energy = -23.06771988576854

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: -23.067720
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.7727900821482745, total energy = -23.067719885768543

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: -23.067720
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.772790070716292, total energy = -23.067719885768557

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: -23.067720
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.7727901022881234, total energy = -23.067719885768597

Attempting to perform relaxation using initial lattice constant guess of a = 5.0 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 = 5.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.125 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 = 5.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.25 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 = 5.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.375 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 = 5.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.77279009] Angstroms and c = 3.6223578056770744 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.068008
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 2.7690278212821964, c = 4.540226430283274, total energy = -23.068007633388735

Attempting to perform relaxation using initial lattice constant guess of a = [2.77279009] Angstroms and c = 3.8487551685318917 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.068008
         Iterations: 78
         Function evaluations: 161
Results for this minimization:
  a = 2.7690277793670797, c = 4.540226480554971, total energy = -23.068007633388785

Attempting to perform relaxation using initial lattice constant guess of a = [2.77279009] Angstroms and c = 4.075152531386709 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.068008
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 2.7690278235979, c = 4.540226348925383, total energy = -23.068007633388746

Attempting to perform relaxation using initial lattice constant guess of a = [2.77279009] Angstroms and c = 4.301549894241527 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.068008
         Iterations: 73
         Function evaluations: 154
Results for this minimization:
  a = 2.7690278322399164, c = 4.540226460695221, total energy = -23.068007633388717

Attempting to perform relaxation using initial lattice constant guess of a = [2.77279009] Angstroms and c = 4.5279472570963435 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.068008
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 2.769027781068005, c = 4.540226463582977, total energy = -23.068007633388753

Attempting to perform relaxation using initial lattice constant guess of a = [2.77279009] Angstroms and c = 4.75434461995116 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.068008
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.7690277626564184, c = 4.540226530623593, total energy = -23.06800763338878

Attempting to perform relaxation using initial lattice constant guess of a = [2.77279009] Angstroms and c = 4.980741982805978 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.068008
         Iterations: 73
         Function evaluations: 155
Results for this minimization:
  a = 2.769027825505069, c = 4.540226388775862, total energy = -23.06800763338875

Attempting to perform relaxation using initial lattice constant guess of a = [2.77279009] Angstroms and c = 5.207139345660796 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.068008
         Iterations: 72
         Function evaluations: 159
Results for this minimization:
  a = 2.7690277624341606, c = 4.540226540939141, total energy = -23.068007633388778

Attempting to perform relaxation using initial lattice constant guess of a = [2.77279009] Angstroms and c = 5.4335367085156125 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -23.068008
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 2.7690278174494245, c = 4.540226322374502, total energy = -23.06800763338873

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

 Final lattice Constants:
   a = 2.7690277793670797 Angstroms, c = 4.540226480554971 Angstroms, c/a = 1.639646

 Total energy: -23.068007633388785 eV

 Cohesive energy: -5.767001908347196 eV/atom

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