Element = Lattice = Model = Element: Cu
Lattice: hcp
Model: EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000
Computed model cutoff of 4.950000000149034 Angstroms
Computed isolated atomic energy of 0.0 eV for species Cu

==============================================================================
==============================================================================
 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))

Optimization terminated successfully.
         Current function value: -14.150365
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.554465174674988, total energy = -14.150364905766397

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: -14.150365
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 2.554465178400278, total energy = -14.150364905766457

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: -14.150365
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.554465115070345, total energy = -14.150364905766445

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: -14.150365
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 2.5544651405012706, total energy = -14.150364905766471

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: -14.150365
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.554465109948069, total energy = -14.150364905766432

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: -14.150365
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.5544651520904154, total energy = -14.150364905766454

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: -14.150365
         Iterations: 32
         Function evaluations: 72
Results for this minimization:
  a = 2.5544651146046817, total energy = -14.150364905766473

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: -14.150365
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 2.5544650988071225, total energy = -14.15036490576642

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: -14.150365
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 2.554465109109877, total energy = -14.15036490576642

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: -14.150365
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 2.554465121030807, total energy = -14.150364905766429

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: -14.150365
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 2.5544650912284834, total energy = -14.150364905766402

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: -14.150365
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 2.5544651551172137, total energy = -14.15036490576649

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: -14.150365
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 2.554465097188949, total energy = -14.150364905766395

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: -14.150365
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 2.5544651317148235, total energy = -14.150364905766452

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: -14.150365
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 2.5544650912284843, total energy = -14.150364905766406

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: -14.150365
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.554465165978761, total energy = -14.15036490576644

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: -14.150365
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.554465178400278, total energy = -14.150364905766438

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: -14.150365
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 2.5544651418866082, total energy = -14.15036490576644

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: -14.150365
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 2.554465115070342, total energy = -14.150364905766423

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: -14.150365
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 2.5544651567470296, total energy = -14.150364905766487

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: -14.150365
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 2.554465140402314, total energy = -14.150364905766477

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: -14.150365
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 2.5544651567470282, total energy = -14.150364905766496

Attempting to perform relaxation using initial lattice constant guess of a = 4.5 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 = 4.5 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.625 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 = 4.625 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.75 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 = 4.75 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 4.875 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 = 4.875 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = 5.0 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 = 5.0 Angstroms
Exception message:
Calling "kim_model.compute" failed.

Continuing...


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


Attempting to perform relaxation using initial lattice constant guess of a = [2.55446516] Angstroms and c = 3.3371393065327304 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.150480
         Iterations: 72
         Function evaluations: 155
Results for this minimization:
  a = 2.556820642908664, c = 4.163712126369187, total energy = -14.150479747316991

Attempting to perform relaxation using initial lattice constant guess of a = [2.55446516] Angstroms and c = 3.5457105131910263 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.150480
         Iterations: 67
         Function evaluations: 148
Results for this minimization:
  a = 2.556820620835338, c = 4.163712143806338, total energy = -14.150479747316998

Attempting to perform relaxation using initial lattice constant guess of a = [2.55446516] Angstroms and c = 3.754281719849322 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.150480
         Iterations: 81
         Function evaluations: 165
Results for this minimization:
  a = 2.5568206489241043, c = 4.163712083897678, total energy = -14.15047974731697

Attempting to perform relaxation using initial lattice constant guess of a = [2.55446516] Angstroms and c = 3.962852926507618 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.150480
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 2.5568206190307334, c = 4.1637122170412955, total energy = -14.150479747316995

Attempting to perform relaxation using initial lattice constant guess of a = [2.55446516] Angstroms and c = 4.171424133165914 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.150480
         Iterations: 68
         Function evaluations: 149
Results for this minimization:
  a = 2.556820634431182, c = 4.163712201880882, total energy = -14.150479747316965

Attempting to perform relaxation using initial lattice constant guess of a = [2.55446516] Angstroms and c = 4.37999533982421 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.150480
         Iterations: 72
         Function evaluations: 152
Results for this minimization:
  a = 2.5568206503695974, c = 4.163712154493298, total energy = -14.150479747316975

Attempting to perform relaxation using initial lattice constant guess of a = [2.55446516] Angstroms and c = 4.588566546482506 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.150480
         Iterations: 72
         Function evaluations: 150
Results for this minimization:
  a = 2.556820632843536, c = 4.163712127439826, total energy = -14.150479747316982

Attempting to perform relaxation using initial lattice constant guess of a = [2.55446516] Angstroms and c = 4.7971377531408015 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.150480
         Iterations: 76
         Function evaluations: 158
Results for this minimization:
  a = 2.556820637427254, c = 4.163712094306062, total energy = -14.15047974731698

Attempting to perform relaxation using initial lattice constant guess of a = [2.55446516] Angstroms and c = 5.005708959799097 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -14.150480
         Iterations: 70
         Function evaluations: 151
Results for this minimization:
  a = 2.556820643887514, c = 4.163712195670289, total energy = -14.150479747316984

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

 Final lattice Constants:
   a = 2.556820620835338 Angstroms, c = 4.163712143806338 Angstroms, c/a = 1.628473

 Total energy: -14.150479747316998 eV

 Cohesive energy: -3.5376199368292496 eV/atom

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