Element = Lattice = Model = Element: Li
Lattice: hcp
Model: Sim_LAMMPS_MEAM_CuiGaoCui_2012_LiSi__SM_562938628131_000
Computed model cutoff of 4.79999999620023 Angstroms
Computed isolated atomic energy of 0.0 eV for species Li

==============================================================================
==============================================================================
 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: -6.540953
         Iterations: 40
         Function evaluations: 83
Results for this minimization:
  a = 3.0752235442400018, total energy = -6.540953175473905

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: -6.540953
         Iterations: 40
         Function evaluations: 84
Results for this minimization:
  a = 3.0752235530759204, total energy = -6.540953175473903

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: -6.540953
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.0752235129475594, total energy = -6.540953175473904

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: -6.540953
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.0752235498279408, total energy = -6.540953175473903

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: -6.540953
         Iterations: 38
         Function evaluations: 80
Results for this minimization:
  a = 3.0752235442400018, total energy = -6.540953175473903

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: -6.540953
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.075223528291101, total energy = -6.540953175473903

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: -6.540953
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.075223544612527, total energy = -6.540953175473902

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: -6.540953
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.0752235632389784, total energy = -6.540953175473904

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: -6.540953
         Iterations: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.075223545916381, total energy = -6.540953175473905

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: -6.540953
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.0752235358464546, total energy = -6.540953175473902

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: -6.540953
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.0752235531806953, total energy = -6.540953175473903

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: -6.540953
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.0752235159277905, total energy = -6.540953175473903

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: -6.540953
         Iterations: 35
         Function evaluations: 77
Results for this minimization:
  a = 3.0752235502004623, total energy = -6.540953175473903

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: -6.540953
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.075223546038615, total energy = -6.540953175473904

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: -6.540953
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.0752235610969367, total energy = -6.540953175473902

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: -6.540953
         Iterations: 33
         Function evaluations: 73
Results for this minimization:
  a = 3.075223530217772, total energy = -6.540953175473904

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: -6.540953
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.075223526358604, total energy = -6.540953175473903

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: -6.540953
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.075223523483146, total energy = -6.540953175473903

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: -6.540953
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.0752235298044983, total energy = -6.540953175473904

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: -6.540953
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.0752235531806935, total energy = -6.540953175473902

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: -6.540953
         Iterations: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.075223544612527, total energy = -6.540953175473903

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: -6.540953
         Iterations: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.0752235447987895, total energy = -6.540953175473902

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: -6.540953
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.0752235199324787, total energy = -6.540953175473902

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: -6.540953
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.0752235582796827, total energy = -6.540953175473903

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: -6.540953
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.0752235352993, total energy = -6.540953175473903

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: -6.540953
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.075223538302817, total energy = -6.540953175473903

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: -6.540953
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.0752235423773504, total energy = -6.540953175473903

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: -6.540953
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.0752235592808574, total energy = -6.540953175473901

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: -6.540953
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.075223536416884, total energy = -6.540953175473904

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: -6.540953
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.075223519979044, total energy = -6.540953175473904

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: -6.540953
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.075223515927793, total energy = -6.540953175473902

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: -6.540953
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.075223534042013, total energy = -6.540953175473904

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.07522354] Angstroms and c = 4.017455215136648 = ([1.30639453] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.540962
         Iterations: 71
         Function evaluations: 152
Results for this minimization:
  a = 3.076803024072402, c = 5.016628139617165, total energy = -6.54096172860364

Attempting to perform relaxation using initial lattice constant guess of a = [3.07522354] Angstroms and c = 4.268546166082689 = ([1.38804419] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.540962
         Iterations: 66
         Function evaluations: 143
Results for this minimization:
  a = 3.0768030460500406, c = 5.01662814405799, total energy = -6.540961728603641

Attempting to perform relaxation using initial lattice constant guess of a = [3.07522354] Angstroms and c = 4.519637117028729 = ([1.46969385] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.540962
         Iterations: 67
         Function evaluations: 146
Results for this minimization:
  a = 3.0768030405507014, c = 5.016628149910979, total energy = -6.540961728603639

Attempting to perform relaxation using initial lattice constant guess of a = [3.07522354] Angstroms and c = 4.77072806797477 = ([1.5513435] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.540962
         Iterations: 64
         Function evaluations: 137
Results for this minimization:
  a = 3.0768030287515904, c = 5.0166282183718085, total energy = -6.540961728603639

Attempting to perform relaxation using initial lattice constant guess of a = [3.07522354] Angstroms and c = 5.0218190189208105 = ([1.63299316] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.540962
         Iterations: 67
         Function evaluations: 143
Results for this minimization:
  a = 3.076803064479211, c = 5.016628251753159, total energy = -6.540961728603637

Attempting to perform relaxation using initial lattice constant guess of a = [3.07522354] Angstroms and c = 5.272909969866851 = ([1.71464282] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.540962
         Iterations: 72
         Function evaluations: 151
Results for this minimization:
  a = 3.076803059491078, c = 5.016628112562749, total energy = -6.54096172860364

Attempting to perform relaxation using initial lattice constant guess of a = [3.07522354] Angstroms and c = 5.524000920812892 = ([1.79629248] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.540962
         Iterations: 70
         Function evaluations: 149
Results for this minimization:
  a = 3.076803011871679, c = 5.016628146702252, total energy = -6.540961728603639

Attempting to perform relaxation using initial lattice constant guess of a = [3.07522354] Angstroms and c = 5.775091871758932 = ([1.87794214] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.540962
         Iterations: 72
         Function evaluations: 154
Results for this minimization:
  a = 3.076803029763331, c = 5.016628185373131, total energy = -6.540961728603639

Attempting to perform relaxation using initial lattice constant guess of a = [3.07522354] Angstroms and c = 6.026182822704973 = ([1.95959179] * a) Angstroms

Optimization terminated successfully.
         Current function value: -6.540962
         Iterations: 78
         Function evaluations: 159
Results for this minimization:
  a = 3.0768030657456897, c = 5.016628093361782, total energy = -6.540961728603639

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

 Final lattice Constants:
   a = 3.0768030460500406 Angstroms, c = 5.01662814405799 Angstroms, c/a = 1.630468

 Total energy: -6.540961728603641 eV

 Cohesive energy: -1.6352404321509102 eV/atom

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