Element = Lattice = Model = Element: Na
Lattice: hcp
Model: MEAM_LAMMPS_KimKoLee_2020_NaSn__MO_329881861557_000
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Na

==============================================================================
==============================================================================
 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: -4.454083
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.7479683876037666, total energy = -4.454083356082504

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: -4.454083
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.747968365252016, total energy = -4.454083356082506

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: -4.454083
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.7479683831334114, total energy = -4.454083356082505

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: -4.454083
         Iterations: 40
         Function evaluations: 88
Results for this minimization:
  a = 3.7479683647863675, total energy = -4.454083356082506

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: -4.454083
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.7479683540761526, total energy = -4.454083356082506

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: -4.454083
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.7479683443903946, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.7479683391749847, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 39
         Function evaluations: 85
Results for this minimization:
  a = 3.7479683831334114, total energy = -4.454083356082505

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: -4.454083
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.747968351840977, total energy = -4.454083356082505

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: -4.454083
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.7479683548212073, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.747968378663063, total energy = -4.454083356082504

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: -4.454083
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.747968336939808, total energy = -4.454083356082505

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: -4.454083
         Iterations: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.7479683719575405, total energy = -4.454083356082505

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: -4.454083
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.747968333959582, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.7479683596640863, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 37
         Function evaluations: 82
Results for this minimization:
  a = 3.7479683730751283, total energy = -4.454083356082505

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: -4.454083
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.7479683518409748, total energy = -4.454083356082506

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: -4.454083
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.747968375682831, total energy = -4.454083356082505

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: -4.454083
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.747968344239053, total energy = -4.454083356082506

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: -4.454083
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.7479683665093044, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.747968354169279, total energy = -4.454083356082507

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: -4.454083
         Iterations: 32
         Function evaluations: 68
Results for this minimization:
  a = 3.7479683635756382, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.7479683496057987, total energy = -4.454083356082505

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: -4.454083
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.7479683485813444, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.7479683518409725, total energy = -4.454083356082505

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: -4.454083
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.7479683504439896, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.7479683420562653, total energy = -4.454083356082506

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: -4.454083
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.7479683430865407, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.7479683453449946, total energy = -4.454083356082506

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: -4.454083
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.7479683626908797, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.7479683475568892, total energy = -4.4540833560825055

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: -4.454083
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.7479683393205034, total energy = -4.4540833560825055

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.74796835] Angstroms and c = 4.896325354567253 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 73
         Function evaluations: 157
Results for this minimization:
  a = 3.743716689445783, c = 6.134241826938668, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796835] Angstroms and c = 5.202345689227706 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 71
         Function evaluations: 157
Results for this minimization:
  a = 3.7437167063217047, c = 6.134241748909048, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796835] Angstroms and c = 5.5083660238881595 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 70
         Function evaluations: 153
Results for this minimization:
  a = 3.7437167002155607, c = 6.134241732381882, total energy = -4.4541199384212655

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796835] Angstroms and c = 5.814386358548613 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 74
         Function evaluations: 153
Results for this minimization:
  a = 3.743716673648926, c = 6.134241733024718, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796835] Angstroms and c = 6.120406693209066 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 71
         Function evaluations: 148
Results for this minimization:
  a = 3.7437166792567447, c = 6.134241767843607, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796835] Angstroms and c = 6.4264270278695195 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 68
         Function evaluations: 148
Results for this minimization:
  a = 3.7437166855838226, c = 6.134241780692477, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796835] Angstroms and c = 6.732447362529973 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 65
         Function evaluations: 144
Results for this minimization:
  a = 3.743716676708755, c = 6.13424173519853, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796835] Angstroms and c = 7.038467697190426 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 73
         Function evaluations: 153
Results for this minimization:
  a = 3.7437166985962023, c = 6.134241705585028, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796835] Angstroms and c = 7.344488031850879 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 75
         Function evaluations: 157
Results for this minimization:
  a = 3.743716699230418, c = 6.134241697990159, total energy = -4.4541199384212655

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

 Final lattice Constants:
   a = 3.743716689445783 Angstroms, c = 6.134241826938668 Angstroms, c/a = 1.638543

 Total energy: -4.454119938421266 eV

 Cohesive energy: -1.1135299846053166 eV/atom

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