Element = Lattice = Model = Element: Pb
Lattice: hcp
Model: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
Computed model cutoff of 7.825618530511861 Angstroms
Computed isolated atomic energy of 0.0 eV for species Pb

==============================================================================
==============================================================================
 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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
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 kimpy function "compute" failed:
  the model does not provide an Extension routine!  or
the model's Extension routine returns error!
Continuing...


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: -8.074418
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.504274605307728, total energy = -8.074417798295988

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: -8.074418
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.504274582490328, total energy = -8.074417798296

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: -8.074418
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.504274612665178, total energy = -8.074417798296004

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: -8.074418
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5042745754122735, total energy = -8.074417798295991

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: -8.074418
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.504274571128186, total energy = -8.074417798295984

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: -8.074418
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.5042746062390506, total energy = -8.07441779829598

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: -8.074418
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.504274553619327, total energy = -8.074417798295974

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: -8.074418
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.504274556040766, total energy = -8.074417798295983

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: -8.074418
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.504274612665177, total energy = -8.074417798295995

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: -8.074418
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.504274575412274, total energy = -8.074417798295986

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: -8.074418
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.504274575971067, total energy = -8.074417798295984

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: -8.074418
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.504274578671903, total energy = -8.074417798295986

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: -8.074418
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.504274576355237, total energy = -8.074417798295999

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: -8.074418
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 3.504274556227028, total energy = -8.074417798296

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: -8.074418
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.5042745560407633, total energy = -8.07441779829598

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: -8.074418
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.5042745827813633, total energy = -8.074417798295986

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: -8.074418
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.5042746167629946, total energy = -8.074417798295968

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: -8.074418
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.5042745798826207, total energy = -8.074417798295984

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: -8.074418
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.5042745776823727, total energy = -8.074417798295977

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: -8.074418
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.504274612665175, total energy = -8.07441779829598

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: -8.074418
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.504274556878954, total energy = -8.074417798295976

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: -8.074418
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.504274575412271, total energy = -8.074417798295988

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: -8.074418
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.5042745674960303, total energy = -8.07441779829598

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: -8.074418
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.5042745675891642, total energy = -8.074417798295988

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: -8.074418
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5042745798826207, total energy = -8.074417798295986

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: -8.074418
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.504274621605873, total energy = -8.074417798295965

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: -8.074418
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.504274563118812, total energy = -8.074417798295965

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: -8.074418
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.5042745536804416, total energy = -8.074417798295977

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: -8.074418
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5042745959479373, total energy = -8.074417798295988

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: -8.074418
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.5042745555925614, total energy = -8.074417798295974

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: -8.074418
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.504274553619325, total energy = -8.074417798295972

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: -8.074418
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5042746127990503, total energy = -8.074417798295983

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: -8.074418
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5042746171355237, total energy = -8.07441779829597

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: -8.074418
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.504274571011768, total energy = -8.07441779829599

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: -8.074418
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.5042745542712472, total energy = -8.074417798295968

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: -8.074418
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.5042745890677907, total energy = -8.074417798295995

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: -8.074418
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5042745715007166, total energy = -8.074417798295988

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: -8.074418
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.504274580487977, total energy = -8.074417798295984

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: -8.074418
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.504274557685124, total energy = -8.074417798295972

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: -8.074418
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5042745754122695, total energy = -8.074417798295988

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: -8.074418
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.504274590872228, total energy = -8.074417798295991

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: -8.074418
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.5042745562270254, total energy = -8.074417798295991

Attempting to perform relaxation using initial lattice constant guess of a = 7.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.074418
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5042745702434277, total energy = -8.07441779829598

Attempting to perform relaxation using initial lattice constant guess of a = 7.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.074418
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.504274556040756, total energy = -8.074417798295974

Attempting to perform relaxation using initial lattice constant guess of a = 7.375 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.074418
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.504274567947137, total energy = -8.07441779829598

Attempting to perform relaxation using initial lattice constant guess of a = 7.5 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.074418
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.5042745827813633, total energy = -8.074417798295983

Attempting to perform relaxation using initial lattice constant guess of a = 7.625 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.074418
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.504274586219985, total energy = -8.074417798295986

Attempting to perform relaxation using initial lattice constant guess of a = 7.75 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.074418
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.504274601966597, total energy = -8.074417798295983

Attempting to perform relaxation using initial lattice constant guess of a = 7.875 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.074418
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.504274583047655, total energy = -8.074417798295991

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.50427461] Angstroms and c = 4.577965183796719 = ([1.30639453] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.50427461] Angstroms and c = 4.864088007784014 = ([1.38804419] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.50427461] Angstroms and c = 5.150210831771309 = ([1.46969385] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.50427461] Angstroms and c = 5.436333655758604 = ([1.5513435] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.50427461] Angstroms and c = 5.722456479745899 = ([1.63299316] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.50427461] Angstroms and c = 6.008579303733194 = ([1.71464282] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.50427461] Angstroms and c = 6.294702127720489 = ([1.79629248] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.50427461] Angstroms and c = 6.580824951707784 = ([1.87794214] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.50427461] Angstroms and c = 6.866947775695079 = ([1.95959179] * a) Angstroms

     Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 7.875 Angstroms
     Exception message:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [3.50427461] Angstroms, c = [5.72245648] Angstroms, c/a = 1.632993

 Total energy: -8.074417798296004 eV

 Cohesive energy: -2.018604449574001 eV/atom

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