Element = Lattice = Model = Element: Li
Lattice: hcp
Model: MEAM_LAMMPS_FuemmelerVita_2023_Li__MO_386038428339_000
Computed model cutoff of 5.099999992623944 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: -7.605186
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.050135375559334, total energy = -7.6051858628587485

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: -7.605186
         Iterations: 39
         Function evaluations: 82
Results for this minimization:
  a = 3.0501353772066064, total energy = -7.605185862858752

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: -7.605186
         Iterations: 40
         Function evaluations: 85
Results for this minimization:
  a = 3.0501353731378913, total energy = -7.60518586285875

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: -7.605186
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.050135396793492, total energy = -7.605185862858749

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: -7.605186
         Iterations: 39
         Function evaluations: 84
Results for this minimization:
  a = 3.0501353692263393, total energy = -7.60518586285875

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: -7.605186
         Iterations: 38
         Function evaluations: 81
Results for this minimization:
  a = 3.0501353655010472, total energy = -7.605185862858748

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: -7.605186
         Iterations: 37
         Function evaluations: 77
Results for this minimization:
  a = 3.0501353873987687, total energy = -7.6051858628587485

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: -7.605186
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.0501353731378913, total energy = -7.6051858628587485

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: -7.605186
         Iterations: 36
         Function evaluations: 80
Results for this minimization:
  a = 3.05013538282365, total energy = -7.6051858628587485

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: -7.605186
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.050135385431351, total energy = -7.6051858628587485

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: -7.605186
         Iterations: 36
         Function evaluations: 78
Results for this minimization:
  a = 3.050135397166014, total energy = -7.605185862858748

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: -7.605186
         Iterations: 35
         Function evaluations: 75
Results for this minimization:
  a = 3.0501353692263353, total energy = -7.605185862858748

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: -7.605186
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.050135374069214, total energy = -7.6051858628587485

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: -7.605186
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.050135373137892, total energy = -7.6051858628587485

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: -7.605186
         Iterations: 33
         Function evaluations: 72
Results for this minimization:
  a = 3.0501353640109303, total energy = -7.605185862858746

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: -7.605186
         Iterations: 32
         Function evaluations: 72
Results for this minimization:
  a = 3.050135386735201, total energy = -7.605185862858746

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: -7.605186
         Iterations: 33
         Function evaluations: 70
Results for this minimization:
  a = 3.0501353893429037, total energy = -7.6051858628587485

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: -7.605186
         Iterations: 32
         Function evaluations: 70
Results for this minimization:
  a = 3.0501353746512905, total energy = -7.605185862858749

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: -7.605186
         Iterations: 33
         Function evaluations: 71
Results for this minimization:
  a = 3.050135370343923, total energy = -7.605185862858746

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: -7.605186
         Iterations: 35
         Function evaluations: 74
Results for this minimization:
  a = 3.0501353971660126, total energy = -7.605185862858747

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: -7.605186
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.0501353783532967, total energy = -7.605185862858748

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: -7.605186
         Iterations: 35
         Function evaluations: 76
Results for this minimization:
  a = 3.050135359913109, total energy = -7.605185862858746

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: -7.605186
         Iterations: 36
         Function evaluations: 79
Results for this minimization:
  a = 3.050135375931859, total energy = -7.605185862858748

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: -7.605186
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.0501353868108696, total energy = -7.605185862858746

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: -7.605186
         Iterations: 36
         Function evaluations: 77
Results for this minimization:
  a = 3.050135375931858, total energy = -7.605185862858748

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: -7.605186
         Iterations: 36
         Function evaluations: 76
Results for this minimization:
  a = 3.050135365035385, total energy = -7.6051858628587485

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: -7.605186
         Iterations: 36
         Function evaluations: 75
Results for this minimization:
  a = 3.050135369994676, total energy = -7.605185862858748

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: -7.605186
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.050135391065851, total energy = -7.605185862858747

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: -7.605186
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.0501353770494424, total energy = -7.605185862858747

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: -7.605186
         Iterations: 38
         Function evaluations: 82
Results for this minimization:
  a = 3.0501353923697008, total energy = -7.605185862858747

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: -7.605186
         Iterations: 40
         Function evaluations: 86
Results for this minimization:
  a = 3.0501353939995184, total energy = -7.605185862858747

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: -7.605186
         Iterations: 39
         Function evaluations: 83
Results for this minimization:
  a = 3.0501353821484347, total energy = -7.605185862858748

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: -7.605186
         Iterations: 37
         Function evaluations: 79
Results for this minimization:
  a = 3.050135374069214, total energy = -7.605185862858746

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: -7.605186
         Iterations: 37
         Function evaluations: 80
Results for this minimization:
  a = 3.050135409772333, total energy = -7.605185862858744

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


Attempting to perform relaxation using initial lattice constant guess of a = [3.05013538] Angstroms and c = 3.984680170969431 = ([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 = 5.125 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 = [3.05013538] Angstroms and c = 4.233722681655021 = ([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 = 5.125 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 = [3.05013538] Angstroms and c = 4.48276519234061 = ([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 = 5.125 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 = [3.05013538] Angstroms and c = 4.7318077030262 = ([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 = 5.125 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 = [3.05013538] Angstroms and c = 4.98085021371179 = ([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 = 5.125 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 = [3.05013538] Angstroms and c = 5.229892724397379 = ([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 = 5.125 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 = [3.05013538] Angstroms and c = 5.478935235082968 = ([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 = 5.125 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 = [3.05013538] Angstroms and c = 5.727977745768558 = ([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 = 5.125 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 = [3.05013538] Angstroms and c = 5.977020256454148 = ([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 = 5.125 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 = [3.05013538] Angstroms, c = [4.98085021] Angstroms, c/a = 1.632993

 Total energy: -7.605185862858752 eV

 Cohesive energy: -1.901296465714688 eV/atom

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