Element = Lattice = Model = Element: Au
Lattice: hcp
Model: EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_001
Computed model cutoff of 7.825618529170755 Angstroms
Computed isolated atomic energy of 0.0 eV for species Au

==============================================================================
==============================================================================
 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: -15.715786
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8880512207746536, total energy = -15.71578589410904

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: -15.715786
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.888051223009824, total energy = -15.715785894109029

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: -15.715786
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.888051182962954, total energy = -15.715785894109038

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: -15.715786
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 2.888051140564501, total energy = -15.71578589410909

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: -15.715786
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.8880511939525633, total energy = -15.715785894109034

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: -15.715786
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.888051209459084, total energy = -15.715785894109038

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: -15.715786
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8880511721363282, total energy = -15.715785894108988

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: -15.715786
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8880511672177818, total energy = -15.715785894109018

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: -15.715786
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.8880512207746536, total energy = -15.71578589410902

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: -15.715786
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.888051140110475, total energy = -15.715785894109036

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: -15.715786
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.8880512230098248, total energy = -15.71578589410902

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: -15.715786
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 2.8880511507915787, total energy = -15.715785894109073

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: -15.715786
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 2.888051182962954, total energy = -15.715785894109034

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: -15.715786
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 2.8880511527415367, total energy = -15.715785894109096

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: -15.715786
         Iterations: 33
         Function evaluations: 74
Results for this minimization:
  a = 2.8880511405644946, total energy = -15.715785894109061

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: -15.715786
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 2.8880511786788707, total energy = -15.71578589410903

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: -15.715786
         Iterations: 34
         Function evaluations: 75
Results for this minimization:
  a = 2.8880511938128612, total energy = -15.715785894109036

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: -15.715786
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.8880511947500054, total energy = -15.715785894109045

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: -15.715786
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.888051148620434, total energy = -15.715785894109048

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: -15.715786
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.8880511925206505, total energy = -15.715785894109011

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: -15.715786
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.888051152741534, total energy = -15.71578589410909

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: -15.715786
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 2.8880512122908826, total energy = -15.715785894109077

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: -15.715786
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.8880511669558473, total energy = -15.715785894109013

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: -15.715786
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.888051142171023, total energy = -15.715785894109024

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: -15.715786
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.88805122077465, total energy = -15.71578589410901

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: -15.715786
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8880511387716994, total energy = -15.715785894109047

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: -15.715786
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.8880511401104716, total energy = -15.715785894109025

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: -15.715786
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 2.888051226022071, total energy = -15.715785894109018

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: -15.715786
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.8880512230098203, total energy = -15.715785894109034

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: -15.715786
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 2.888051220774649, total energy = -15.715785894109029

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: -15.715786
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 2.888051144266502, total energy = -15.71578589410903

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: -15.715786
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.8880511604249453, total energy = -15.715785894109011

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: -15.715786
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.8880511971656233, total energy = -15.715785894109095

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: -15.715786
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8880512230098203, total energy = -15.715785894109034

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: -15.715786
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 2.8880512260220694, total energy = -15.715785894109027

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: -15.715786
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.888051148317756, total energy = -15.715785894109054

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: -15.715786
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.888051140564491, total energy = -15.715785894109045

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: -15.715786
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.888051147572696, total energy = -15.715785894109066

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: -15.715786
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8880511786788654, total energy = -15.71578589410903

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: -15.715786
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 2.888051152182742, total energy = -15.715785894109016

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: -15.715786
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.888051193812854, total energy = -15.715785894109038

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: -15.715786
         Iterations: 41
         Function evaluations: 89
Results for this minimization:
  a = 2.8880511431256273, total energy = -15.715785894109034

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: -15.715786
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 2.8880511946044862, total energy = -15.71578589410905

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: -15.715786
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.888051135558633, total energy = -15.715785894109011

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: -15.715786
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8880512099130953, total energy = -15.715785894109063

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: -15.715786
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8880511690193007, total energy = -15.715785894109034

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: -15.715786
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.888051192520648, total energy = -15.715785894109004

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: -15.715786
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.888051168032689, total energy = -15.715785894109091

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: -15.715786
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 2.8880511806113622, total energy = -15.715785894109038

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: -15.715786
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.888051223009819, total energy = -15.715785894109041

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: -15.715786
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 2.888051212206474, total energy = -15.715785894109064

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: -15.715786
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 2.888051201449703, total energy = -15.715785894109032

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: -15.715786
         Iterations: 40
         Function evaluations: 87
Results for this minimization:
  a = 2.8880511669558473, total energy = -15.71578589410901

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: -15.715786
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 2.8880511961222552, total energy = -15.715785894109038

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: -15.715786
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 2.888051145058112, total energy = -15.715785894109045

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: -15.715786
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 2.8880512162126157, total energy = -15.715785894109016

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


Attempting to perform relaxation using initial lattice constant guess of a = [2.88805115] Angstroms and c = 3.7729342268125485 = ([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 = [2.88805115] Angstroms and c = 4.008742615988333 = ([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 = [2.88805115] Angstroms and c = 4.2445510051641175 = ([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 = [2.88805115] Angstroms and c = 4.480359394339902 = ([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 = [2.88805115] Angstroms and c = 4.7161677835156866 = ([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 = [2.88805115] Angstroms and c = 4.951976172691471 = ([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 = [2.88805115] Angstroms and c = 5.187784561867256 = ([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 = [2.88805115] Angstroms and c = 5.42359295104304 = ([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 = [2.88805115] Angstroms and c = 5.659401340218825 = ([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 = [2.88805115] Angstroms, c = [4.71616778] Angstroms, c/a = 1.632993

 Total energy: -15.715785894109096 eV

 Cohesive energy: -3.928946473527274 eV/atom

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