Element = Lattice = Model = Element: Pb
Lattice: hcp
Model: EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_Pb__MO_988703794028_001
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))

Optimization terminated successfully.
         Current function value: -8.074418
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.5042745830491233, total energy = -8.074417798295997

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.074418
         Iterations: 41
         Function evaluations: 86
Results for this minimization:
  a = 3.5042745754122726, total energy = -8.074417798295988

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Optimization terminated successfully.
         Current function value: -8.074418
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5042746062390506, total energy = -8.074417798295977

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: -8.074418
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.504274621605883, total energy = -8.074417798295984

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: -8.074418
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.5042745977640197, total energy = -8.074417798295984

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: -8.074418
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5042745798826243, total energy = -8.074417798295986

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: -8.074418
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.5042746201157557, total energy = -8.07441779829597

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5042745899409056, total energy = -8.074417798295983

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: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5042745829559894, total energy = -8.074417798295993

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: 80
Results for this minimization:
  a = 3.504274612665178, total energy = -8.074417798295993

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 = -8.07441779829599

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 = -8.074417798295983

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: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.5042745585087705, total energy = -8.07441779829598

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 = 3.5042745559767376, total energy = -8.074417798295977

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 = 3.5042746127990547, total energy = -8.074417798295993

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: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.504274552781135, total energy = -8.07441779829597

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: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.504274587321561, total energy = -8.074417798295976

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: 71
Results for this minimization:
  a = 3.5042745798826225, total energy = -8.07441779829598

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: 32
         Function evaluations: 67
Results for this minimization:
  a = 3.5042745743121486, total energy = -8.07441779829599

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: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.5042746097664343, total energy = -8.07441779829597

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 = -8.074417798295968

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.5042745829559863, total energy = -8.07441779829598

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.504274602327495, total energy = -8.074417798295986

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: 72
Results for this minimization:
  a = 3.5042745736485816, total energy = -8.074417798295968

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: 78
Results for this minimization:
  a = 3.504274612665175, total energy = -8.074417798295986

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: 78
Results for this minimization:
  a = 3.504274554026779, total energy = -8.074417798296

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: 36
         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: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.5042745657730836, total energy = -8.074417798295986

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 = -8.074417798295991

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.5042746062390506, total energy = -8.074417798295977

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 = 3.5042745632381376, total energy = -8.074417798295967

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: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.504274558508767, total energy = -8.074417798295972

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: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.5042746082122913, total energy = -8.074417798295977

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 = 3.504274555528533, total energy = -8.074417798295977

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: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.504274553619325, total energy = -8.074417798295974

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: 79
Results for this minimization:
  a = 3.5042746128659887, total energy = -8.074417798295986

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: 80
Results for this minimization:
  a = 3.5042746171355237, total energy = -8.074417798295968

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: 80
Results for this minimization:
  a = 3.5042745709419187, total energy = -8.074417798295991

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.504274590779092, total energy = -8.074417798295983

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: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.5042745748069137, total energy = -8.074417798295983

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 = -8.07441779829598

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: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.504274579882617, total energy = -8.074417798295979

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: 82
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: 81
Results for this minimization:
  a = 3.5042745754122695, total energy = -8.074417798295993

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: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.504274618884665, total energy = -8.074417798295974

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: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.504274594690648, total energy = -8.074417798295984

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: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.504274567257375, total energy = -8.074417798295997

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: 80
Results for this minimization:
  a = 3.504274556040756, total energy = -8.074417798295972

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: 84
Results for this minimization:
  a = 3.504274567947137, total energy = -8.074417798295986

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: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.5042745911632665, 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: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.504274591812286, total energy = -8.074417798295991

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 = -8.07441779829598

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 = [3.50427455] Angstroms and c = 4.577965107191836 = ([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 = [3.50427455] Angstroms and c = 4.864087926391325 = ([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 = [3.50427455] Angstroms and c = 5.150210745590814 = ([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 = [3.50427455] Angstroms and c = 5.436333564790304 = ([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 = [3.50427455] Angstroms and c = 5.722456383989793 = ([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 = [3.50427455] Angstroms and c = 6.008579203189282 = ([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 = [3.50427455] Angstroms and c = 6.294702022388772 = ([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 = [3.50427455] Angstroms and c = 6.580824841588261 = ([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 = [3.50427455] Angstroms and c = 6.86694766078775 = ([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 = [3.50427455] Angstroms, c = [5.72245638] Angstroms, c/a = 1.632993

 Total energy: -8.074417798296 eV

 Cohesive energy: -2.018604449574 eV/atom

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