Element = Lattice = Model = Element: Li
Lattice: hcp
Model: MEAM_LAMMPS_CuiGaoCui_2012_LiSi__MO_557492625287_002
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: 84
Results for this minimization:
  a = 3.075223553925756, total energy = -6.540953175473907

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: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.0752235548570748, total energy = -6.5409531754739065

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: 84
Results for this minimization:
  a = 3.0752235539257526, total energy = -6.5409531754739065

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: 38
         Function evaluations: 79
Results for this minimization:
  a = 3.075223541632302, total energy = -6.540953175473904

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 = 3.0752235533203964, total energy = -6.540953175473904

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: 78
Results for this minimization:
  a = 3.075223518908026, total energy = -6.540953175473907

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: 78
Results for this minimization:
  a = 3.075223542004824, total energy = -6.540953175473905

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 = 3.0752235129475594, 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: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.075223553553226, total energy = -6.540953175473906

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: 81
Results for this minimization:
  a = 3.075223542377354, total energy = -6.540953175473905

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: 37
         Function evaluations: 81
Results for this minimization:
  a = 3.075223552342505, total energy = -6.540953175473905

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: 77
Results for this minimization:
  a = 3.0752235159277905, total energy = -6.540953175473904

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: 75
Results for this minimization:
  a = 3.0752235539257526, total energy = -6.540953175473907

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: 34
         Function evaluations: 72
Results for this minimization:
  a = 3.07522351462394, total energy = -6.540953175473906

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: 70
Results for this minimization:
  a = 3.0752235149964697, total energy = -6.540953175473904

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: 72
Results for this minimization:
  a = 3.0752235203108285, total energy = -6.540953175473906

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: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.0752235526219014, total energy = -6.540953175473907

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: 32
         Function evaluations: 69
Results for this minimization:
  a = 3.075223537744023, total energy = -6.5409531754739065

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: 34
         Function evaluations: 74
Results for this minimization:
  a = 3.0752235830761494, total energy = -6.540953175473899

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: 75
Results for this minimization:
  a = 3.0752235556952643, total energy = -6.540953175473905

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: 76
Results for this minimization:
  a = 3.075223542004824, total energy = -6.540953175473906

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 = 3.075223539565921, total energy = -6.540953175473905

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: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.075223507359624, total energy = -6.540953175473903

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: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0752235185820584, total energy = -6.540953175473906

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: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.0752235188148904, total energy = -6.540953175473906

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: 75
Results for this minimization:
  a = 3.0752235129475602, 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: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.075223548710344, total energy = -6.540953175473905

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: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.075223512016237, total energy = -6.540953175473902

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.0752235397696457, total energy = -6.540953175473905

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: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.075223549269139, total energy = -6.540953175473906

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: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.07522352132946, total energy = -6.540953175473903

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.07522355] Angstroms and c = 4.017455227790065 = ([1.30639453] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.07522355] Angstroms and c = 4.268546179526944 = ([1.38804419] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.07522355] Angstroms and c = 4.519637131263823 = ([1.46969385] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.07522355] Angstroms and c = 4.770728083000702 = ([1.5513435] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.07522355] Angstroms and c = 5.0218190347375815 = ([1.63299316] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.07522355] Angstroms and c = 5.272909986474461 = ([1.71464282] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.07522355] Angstroms and c = 5.52400093821134 = ([1.79629248] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.07522355] Angstroms and c = 5.775091889948219 = ([1.87794214] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


Attempting to perform relaxation using initial lattice constant guess of a = [3.07522355] Angstroms and c = 6.026182841685098 = ([1.95959179] * a) Angstroms

     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:
setting an array element with a sequence. The requested array has an inhomogeneous shape after 1 dimensions. The detected shape was (2,) + inhomogeneous part.
     Continuing...


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

 Final lattice Constants:
   a = [3.07522355] Angstroms, c = [5.02181903] Angstroms, c/a = 1.632993

 Total energy: -6.540953175473907 eV

 Cohesive energy: -1.6352382938684769 eV/atom

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