Element = Lattice = Model = Element: Na
Lattice: hcp
Model: MEAM_LAMMPS_KimKoLee_2020_NaSn__MO_329881861557_001
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: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.747968344390393, total energy = -4.4540833560825055

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 = 3.747968340106309, 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 = 3.747968354821205, total energy = -4.454083356082506

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: 69
Results for this minimization:
  a = 3.7479683689773093, total energy = -4.454083356082505

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: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.7479683639248833, total energy = -4.4540833560825055

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 = -4.454083356082506

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 = 3.7479683548212046, total energy = -4.4540833560825055

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: 72
Results for this minimization:
  a = 3.747968353517354, 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: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.7479683550191107, 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: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.7479683561250567, total energy = -4.454083356082506

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: 77
Results for this minimization:
  a = 3.747968365199628, total energy = -4.4540833560825055

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: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.747968326508998, total energy = -4.454083356082505

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: 79
Results for this minimization:
  a = 3.747968365252018, total energy = -4.454083356082505

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: 80
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 = [3.74796837] Angstroms and c = 4.896325369045679 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 73
         Function evaluations: 156
Results for this minimization:
  a = 3.7437166879838912, c = 6.134241716833439, total energy = -4.4541199384212655

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796837] Angstroms and c = 5.202345704611035 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 72
         Function evaluations: 158
Results for this minimization:
  a = 3.743716682758983, c = 6.134241789082617, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796837] Angstroms and c = 5.50836604017639 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 70
         Function evaluations: 150
Results for this minimization:
  a = 3.743716682183502, c = 6.134241752166828, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796837] Angstroms and c = 5.814386375741745 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 74
         Function evaluations: 156
Results for this minimization:
  a = 3.7437166974163, c = 6.13424176945539, total energy = -4.4541199384212655

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796837] Angstroms and c = 6.1204067113071 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 71
         Function evaluations: 151
Results for this minimization:
  a = 3.7437166630760057, c = 6.134241763724376, total energy = -4.4541199384212655

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796837] Angstroms and c = 6.426427046872456 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 64
         Function evaluations: 144
Results for this minimization:
  a = 3.743716685400898, c = 6.134241771604815, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796837] Angstroms and c = 6.732447382437811 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 67
         Function evaluations: 145
Results for this minimization:
  a = 3.743716691366253, c = 6.134241770350903, total energy = -4.454119938421266

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796837] Angstroms and c = 7.038467718003166 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 70
         Function evaluations: 156
Results for this minimization:
  a = 3.743716689649134, c = 6.134241766343255, total energy = -4.454119938421267

Attempting to perform relaxation using initial lattice constant guess of a = [3.74796837] Angstroms and c = 7.344488053568521 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -4.454120
         Iterations: 77
         Function evaluations: 163
Results for this minimization:
  a = 3.743716685201508, c = 6.134241775335106, total energy = -4.454119938421266

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

 Final lattice Constants:
   a = 3.743716689649134 Angstroms, c = 6.134241766343255 Angstroms, c/a = 1.638543

 Total energy: -4.454119938421267 eV

 Cohesive energy: -1.1135299846053168 eV/atom

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