Element = Lattice = Model = Element: Nd
Lattice: hcp
Model: MEAM_LAMMPS_KimLee_2017_MgNd__MO_059320827436_000
Computed model cutoff of 5.999999990463257 Angstroms
Computed isolated atomic energy of 0.0 eV for species Nd

==============================================================================
==============================================================================
 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: -13.440000
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.660000029206283, total energy = -13.440000000497903

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: -13.440000
         Iterations: 41
         Function evaluations: 87
Results for this minimization:
  a = 3.6600000136066217, total energy = -13.44000000049791

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: -13.440000
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.65999998152256, total energy = -13.440000000497909

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: -13.440000
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.6599999824538942, total energy = -13.44000000049791

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: -13.440000
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.6599999964935774, total energy = -13.440000000497912

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: -13.440000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6599999853235223, total energy = -13.440000000497905

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: -13.440000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6600000113248825, total energy = -13.440000000497907

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: -13.440000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.660000007599592, total energy = -13.440000000497909

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: -13.440000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6600000098347722, total energy = -13.440000000497903

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: -13.440000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.659999997168781, total energy = -13.440000000497907

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: -13.440000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.659999972954393, total energy = -13.4400000004979

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: -13.440000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.6599999886937415, total energy = -13.440000000497907

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: -13.440000
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.6599999871104956, total energy = -13.4400000004979

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: -13.440000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.659999985247853, total energy = -13.440000000497905

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: -13.440000
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.659999992826492, total energy = -13.440000000497907

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: -13.440000
         Iterations: 35
         Function evaluations: 73
Results for this minimization:
  a = 3.6600000129750705, total energy = -13.440000000497903

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: -13.440000
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.659999978542331, total energy = -13.440000000497902

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: -13.440000
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.6599999852478504, total energy = -13.440000000497905

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: -13.440000
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.6600000094622374, total energy = -13.440000000497905

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: -13.440000
         Iterations: 33
         Function evaluations: 69
Results for this minimization:
  a = 3.660000001871959, total energy = -13.440000000497909

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: -13.440000
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.66000000089407, total energy = -13.440000000497907

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: -13.440000
         Iterations: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.6599999971687796, total energy = -13.440000000497909

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: -13.440000
         Iterations: 32
         Function evaluations: 66
Results for this minimization:
  a = 3.6600000128382817, total energy = -13.440000000497905

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: -13.440000
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.6599999978905537, total energy = -13.440000000497909

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: -13.440000
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.659999988973142, total energy = -13.440000000497905

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: -13.440000
         Iterations: 34
         Function evaluations: 71
Results for this minimization:
  a = 3.659999998204876, total energy = -13.440000000497907

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: -13.440000
         Iterations: 34
         Function evaluations: 73
Results for this minimization:
  a = 3.659999997168778, total energy = -13.44000000049791

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: -13.440000
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.6599999852478504, total energy = -13.440000000497905

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: -13.440000
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.660000014863906, total energy = -13.440000000497905

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: -13.440000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.660000012814998, total energy = -13.440000000497902

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: -13.440000
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.660000001080335, total energy = -13.440000000497902

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: -13.440000
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.659999999776481, total energy = -13.440000000497903

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: -13.440000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.6600000131875277, total energy = -13.440000000497903

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: -13.440000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.659999992072695, total energy = -13.440000000497905

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: -13.440000
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.660000000649596, total energy = -13.440000000497905

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: -13.440000
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.660000001883601, total energy = -13.440000000497905

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: -13.440000
         Iterations: 38
         Function evaluations: 83
Results for this minimization:
  a = 3.660000009089706, total energy = -13.440000000497903

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: -13.440000
         Iterations: 37
         Function evaluations: 78
Results for this minimization:
  a = 3.6600000131875277, total energy = -13.440000000497902

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: -13.440000
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.660000010766085, total energy = -13.440000000497903

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: -13.440000
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.659999997913836, total energy = -13.440000000497903

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: -13.440000
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.660000014305111, total energy = -13.440000000497902

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.66] Angstroms and c = 4.781403973331993 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 69
         Function evaluations: 150
Results for this minimization:
  a = 3.6599999989024843, c = 5.976754918307021, total energy = -13.440000000497905

Attempting to perform relaxation using initial lattice constant guess of a = [3.66] Angstroms and c = 5.080241721665242 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 3.659999994766673, c = 5.976754987100709, total energy = -13.440000000497907

Attempting to perform relaxation using initial lattice constant guess of a = [3.66] Angstroms and c = 5.379079469998492 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 75
         Function evaluations: 159
Results for this minimization:
  a = 3.660000003829967, c = 5.976754971500668, total energy = -13.440000000497903

Attempting to perform relaxation using initial lattice constant guess of a = [3.66] Angstroms and c = 5.677917218331741 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 65
         Function evaluations: 139
Results for this minimization:
  a = 3.6600000026737334, c = 5.976754936363041, total energy = -13.440000000497903

Attempting to perform relaxation using initial lattice constant guess of a = [3.66] Angstroms and c = 5.97675496666499 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 70
         Function evaluations: 146
Results for this minimization:
  a = 3.659999999851237, c = 5.976754985211009, total energy = -13.440000000497907

Attempting to perform relaxation using initial lattice constant guess of a = [3.66] Angstroms and c = 6.27559271499824 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 67
         Function evaluations: 144
Results for this minimization:
  a = 3.6599999880058656, c = 5.9767549577481605, total energy = -13.440000000497907

Attempting to perform relaxation using initial lattice constant guess of a = [3.66] Angstroms and c = 6.574430463331489 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 3.6600000022192276, c = 5.976755013956025, total energy = -13.440000000497902

Attempting to perform relaxation using initial lattice constant guess of a = [3.66] Angstroms and c = 6.873268211664739 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 68
         Function evaluations: 152
Results for this minimization:
  a = 3.65999999557145, c = 5.976754989418856, total energy = -13.440000000497903

Attempting to perform relaxation using initial lattice constant guess of a = [3.66] Angstroms and c = 7.172105959997988 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -13.440000
         Iterations: 75
         Function evaluations: 158
Results for this minimization:
  a = 3.6600000071090486, c = 5.976754998468607, total energy = -13.440000000497905

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

 Final lattice Constants:
   a = [3.66] Angstroms, c = [5.97675497] Angstroms, c/a = 1.632993

 Total energy: -13.440000000497912 eV

 Cohesive energy: -3.360000000124478 eV/atom

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