Element = Lattice = Model = Element: Pb
Lattice: hcp
Model: EAM_Dynamo_LandaWynblattSiegel_2000_AlPb__MO_699137396381_005
Computed model cutoff of 5.527751944959174 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 "kim_model.compute" failed.

Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

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

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 1.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Failed to perform relaxation w.r.t. 'a' with c/a fixed at sqrt(8/3) and an initial guess of a = 2.125 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -8.120016
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.4712736077082815, total energy = -8.120015680938861

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: -8.120016
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4712736422574357, total energy = -8.120015680938861

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: -8.120016
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.471273605013266, total energy = -8.120015680938863

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: -8.120016
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4712736374465765, total energy = -8.120015680938861

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: -8.120016
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.4712736532092117, total energy = -8.120015680938856

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: -8.120016
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.471273603528971, total energy = -8.120015680938865

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: -8.120016
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.4712736382149165, total energy = -8.120015680938865

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: -8.120016
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.4712736030633096, total energy = -8.120015680938854

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: -8.120016
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.4712736382149165, total energy = -8.120015680938863

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: -8.120016
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.471273606503382, total energy = -8.120015680938861

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: -8.120016
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.4712736561894415, total energy = -8.120015680938854

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: -8.120016
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.4712736106012008, total energy = -8.12001568093886

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: -8.120016
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.4712736066430807, total energy = -8.120015680938858

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: -8.120016
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.4712736429821223, total energy = -8.120015680938858

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: -8.120016
         Iterations: 36
         Function evaluations: 74
Results for this minimization:
  a = 3.4712736513465634, total energy = -8.120015680938861

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: -8.120016
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.4712736307672465, total energy = -8.120015680938867

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: -8.120016
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.471273627318441, total energy = -8.120015680938865

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: -8.120016
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.4712736441288143, total energy = -8.120015680938863

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: -8.120016
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.471273651346562, total energy = -8.12001568093886

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: -8.120016
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.4712736130459216, total energy = -8.120015680938861

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: -8.120016
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.4712736422574393, total energy = -8.12001568093886

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: -8.120016
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.471273610065689, total energy = -8.120015680938867

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: -8.120016
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4712736047804356, total energy = -8.12001568093886

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: -8.120016
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.4712736018002, total energy = -8.120015680938861

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: -8.120016
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.4712736379355174, total energy = -8.120015680938861

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: -8.120016
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.4712736437562866, total energy = -8.120015680938856

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: -8.120016
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.471273607620967, total energy = -8.12001568093886

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: -8.120016
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.471273601120629, total energy = -8.120015680938854

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.47127363] Angstroms and c = 4.534852881577649 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.120016
         Iterations: 74
         Function evaluations: 155
Results for this minimization:
  a = 3.4712736741169774, c = 5.668565954980866, total energy = -8.120015680938854

Attempting to perform relaxation using initial lattice constant guess of a = [3.47127363] Angstroms and c = 4.818281186676252 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.120016
         Iterations: 72
         Function evaluations: 153
Results for this minimization:
  a = 3.471273627507288, c = 5.668566019274971, total energy = -8.120015680938861

Attempting to perform relaxation using initial lattice constant guess of a = [3.47127363] Angstroms and c = 5.101709491774855 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.120016
         Iterations: 65
         Function evaluations: 143
Results for this minimization:
  a = 3.471273587190808, c = 5.668566103283347, total energy = -8.12001568093886

Attempting to perform relaxation using initial lattice constant guess of a = [3.47127363] Angstroms and c = 5.385137796873458 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.120016
         Iterations: 63
         Function evaluations: 139
Results for this minimization:
  a = 3.4712735598815705, c = 5.6685662686064795, total energy = -8.120015680938854

Attempting to perform relaxation using initial lattice constant guess of a = [3.47127363] Angstroms and c = 5.668566101972061 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.120016
         Iterations: 68
         Function evaluations: 150
Results for this minimization:
  a = 3.4712736307672465, c = 5.668566101972061, total energy = -8.120015680938863

Attempting to perform relaxation using initial lattice constant guess of a = [3.47127363] Angstroms and c = 5.951994407070664 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.120016
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.4712736095176187, c = 5.668566112971135, total energy = -8.120015680938865

Attempting to perform relaxation using initial lattice constant guess of a = [3.47127363] Angstroms and c = 6.235422712169267 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.120016
         Iterations: 78
         Function evaluations: 164
Results for this minimization:
  a = 3.471273594309621, c = 5.668566085734443, total energy = -8.120015680938856

Attempting to perform relaxation using initial lattice constant guess of a = [3.47127363] Angstroms and c = 6.51885101726787 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.120016
         Iterations: 76
         Function evaluations: 160
Results for this minimization:
  a = 3.4712736254004586, c = 5.668566059338335, total energy = -8.120015680938858

Attempting to perform relaxation using initial lattice constant guess of a = [3.47127363] Angstroms and c = 6.8022793223664735 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.120016
         Iterations: 83
         Function evaluations: 177
Results for this minimization:
  a = 3.471273627130926, c = 5.6685660338889114, total energy = -8.120015680938858

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

 Final lattice Constants:
   a = [3.47127363] Angstroms, c = [5.6685661] Angstroms, c/a = 1.632993

 Total energy: -8.120015680938867 eV

 Cohesive energy: -2.0300039202347167 eV/atom

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