Element = Lattice = Model = Element: Pb
Lattice: hcp
Model: EAM_Dynamo_ZhouJohnsonWadley_2004_Pb__MO_116920074573_005
Computed model cutoff of 7.825618263483052 Angstroms
Computed isolated atomic energy of 1.013278961181641e-06 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))

Optimization terminated successfully.
         Current function value: -8.074422
         Iterations: 38
         Function evaluations: 84
Results for this minimization:
  a = 3.5042837511748077, total energy = -8.07442198252409

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: -8.074422
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5042837720364335, total energy = -8.074421982524097

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: -8.074422
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.504283765295983, total energy = -8.074421982524113

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: -8.074422
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.5042837113142014, total energy = -8.07442198252406

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: -8.074422
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.5042837878223527, total energy = -8.074421982524106

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: -8.074422
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.504283760767433, total energy = -8.074421982524102

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: -8.074422
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.5042837806046014, total energy = -8.074421982524104

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: -8.074422
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.504283779859544, total energy = -8.074421982524084

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: -8.074422
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.5042837588116527, total energy = -8.074421982524093

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: -8.074422
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.504283774690703, total energy = -8.074421982524088

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: -8.074422
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.5042837699409577, total energy = -8.07442198252409

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: -8.074422
         Iterations: 32
         Function evaluations: 71
Results for this minimization:
  a = 3.504283736646176, total energy = -8.074421982524076

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: -8.074422
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.5042837699409572, total energy = -8.074421982524091

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: -8.074422
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.5042837389628403, total energy = -8.074421982524088

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: -8.074422
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.5042837719374798, total energy = -8.074421982524076

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: -8.074422
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.504283762350678, total energy = -8.0744219825241

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: -8.074422
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.504283759742976, total energy = -8.074421982524088

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: -8.074422
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.5042837551329256, total energy = -8.07442198252409

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: -8.074422
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.5042837524961215, total energy = -8.074421982524088

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: -8.074422
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.504283763340207, total energy = -8.074421982524107

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: -8.074422
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.504283806798048, total energy = -8.074421982524079

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: -8.074422
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.5042837652959866, total energy = -8.074421982524091

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: -8.074422
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.5042837656103063, total energy = -8.074421982524091

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: -8.074422
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5042837760411203, total energy = -8.07442198252409

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: -8.074422
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5042837273329464, total energy = -8.07442198252407

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: -8.074422
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.5042837897781274, total energy = -8.074421982524084

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: -8.074422
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.5042837645538394, total energy = -8.074421982524086

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: -8.074422
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.504283757694063, total energy = -8.074421982524088

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: -8.074422
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.5042837590444833, total energy = -8.074421982524099

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: -8.074422
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.504283780336842, total energy = -8.074421982524091

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: -8.074422
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.5042837819317345, total energy = -8.07442198252408

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: -8.074422
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.504283779859537, total energy = -8.074421982524079

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: -8.074422
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.50428375767078, total energy = -8.074421982524086

Attempting to perform relaxation using initial lattice constant guess of a = 6.25 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 = 6.25 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.375 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 = 6.375 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.5 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 = 6.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.625 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 = 6.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 6.75 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 = 6.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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: -8.074422
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5042837597429752, total energy = -8.074421982524091

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: -8.074422
         Iterations: 39
         Function evaluations: 86
Results for this minimization:
  a = 3.504283778369425, total energy = -8.07442198252407

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: -8.074422
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5042837621440355, total energy = -8.074421982524083

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: -8.074422
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.504283776693039, total energy = -8.074421982524091

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: -8.074422
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5042837825603743, total energy = -8.074421982524083

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: -8.074422
         Iterations: 39
         Function evaluations: 81
Results for this minimization:
  a = 3.5042837380897254, total energy = -8.074421982524077

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: -8.074422
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.5042837496934265, total energy = -8.074421982524091

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: -8.074422
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.504283771757025, total energy = -8.074421982524072

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: -8.074422
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.5042837799992337, total energy = -8.074421982524074

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.50428377] Angstroms and c = 4.577977140743533 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.075823
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.4890829205033618, c = 5.772990632021925, total energy = -8.075822657597168

Attempting to perform relaxation using initial lattice constant guess of a = [3.50428377] Angstroms and c = 4.8641007120400035 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.075823
         Iterations: 71
         Function evaluations: 153
Results for this minimization:
  a = 3.4890829652018187, c = 5.772990598487888, total energy = -8.075822657597193

Attempting to perform relaxation using initial lattice constant guess of a = [3.50428377] Angstroms and c = 5.150224283336474 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.075823
         Iterations: 70
         Function evaluations: 154
Results for this minimization:
  a = 3.489082970680783, c = 5.772990632685825, total energy = -8.07582265759719

Attempting to perform relaxation using initial lattice constant guess of a = [3.50428377] Angstroms and c = 5.4363478546329445 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.075823
         Iterations: 64
         Function evaluations: 139
Results for this minimization:
  a = 3.4890829202005813, c = 5.772990735883736, total energy = -8.075822657597177

Attempting to perform relaxation using initial lattice constant guess of a = [3.50428377] Angstroms and c = 5.722471425929415 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.075823
         Iterations: 74
         Function evaluations: 162
Results for this minimization:
  a = 3.48908296289426, c = 5.772990643873607, total energy = -8.075822657597191

Attempting to perform relaxation using initial lattice constant guess of a = [3.50428377] Angstroms and c = 6.008594997225885 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.075823
         Iterations: 76
         Function evaluations: 162
Results for this minimization:
  a = 3.4890829914067982, c = 5.772990618372388, total energy = -8.07582265759719

Attempting to perform relaxation using initial lattice constant guess of a = [3.50428377] Angstroms and c = 6.294718568522356 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.075823
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 3.4890830004835953, c = 5.7729907066736486, total energy = -8.075822657597193

Attempting to perform relaxation using initial lattice constant guess of a = [3.50428377] Angstroms and c = 6.580842139818826 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.075823
         Iterations: 76
         Function evaluations: 161
Results for this minimization:
  a = 3.489083022507836, c = 5.772990586096084, total energy = -8.075822657597188

Attempting to perform relaxation using initial lattice constant guess of a = [3.50428377] Angstroms and c = 6.866965711115297 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -8.075823
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 3.4890830008871965, c = 5.772990535701233, total energy = -8.07582265759719

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

 Final lattice Constants:
   a = 3.4890829652018187 Angstroms, c = 5.772990598487888 Angstroms, c/a = 1.654587

 Total energy: -8.075822657597193 eV

 Cohesive energy: -2.0189556643992983 eV/atom

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