Element = Lattice = Model = Element: Si
Lattice: hcp
Model: ThreeBodyBondOrder_KDS_KhorDasSarma_1988_Si__MO_722489435928_000
Computed model cutoff of 3.4656875410676116 Angstroms
Computed isolated atomic energy of 0.0 eV for species Si

==============================================================================
==============================================================================
 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))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 1.0, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 1.125 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 1.125, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 1.25 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 1.25, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 1.375 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 1.375, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 1.5 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 1.5, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 1.625 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 1.625, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 1.75 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 1.75, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 1.875 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 1.9218751795124263, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 2.0 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 2.012698411947349, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 2.125 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 2.1267639161145775, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 2.25 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 2.2500017166137694, total energy = 171.28500472985274

Attempting to perform relaxation using initial lattice constant guess of a = 2.375 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 2.3824364433989764, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 2.5 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 2.562504127854453, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 2.625 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 2.691204434320771, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 2.75 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 3.0250041972554755, total energy = nan

Attempting to perform relaxation using initial lattice constant guess of a = 2.875 Angstroms (c/a fixed at sqrt(8/3))

Warning: Maximum number of iterations has been exceeded.
Results for this minimization:
  a = 2.8884959115646778, total energy = nan

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: 0.062714
         Iterations: 50
         Function evaluations: 143
Results for this minimization:
  a = 3.1875022977809007, total energy = 0.06271420616820046

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: 0.049730
         Iterations: 49
         Function evaluations: 134
Results for this minimization:
  a = 3.1976747514271153, total energy = 0.049729649273443664

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: 0.013135
         Iterations: 41
         Function evaluations: 120
Results for this minimization:
  a = 3.2513488769531254, total energy = 0.01313467464095746

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: 0.000000
         Iterations: 32
         Function evaluations: 94
Results for this minimization:
  a = 3.54375, total energy = 0.0

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: 0.000000
         Iterations: 32
         Function evaluations: 95
Results for this minimization:
  a = 3.5, total energy = 0.0