head Test calculation: Lattice invariance shear of cubic crystal

% Set convergence tolerance for CG
fact,gtol,1e-16

% read in material definitions
mate,dire
 'Si(diamond)'
  0 1.5 1.5 
  1.5 0 1.5 
  1.5 1.5 0
  2
  14 0 0 0
  14 0.75 0.75 0.75
  1
  1

% read in constitutive information
cons,kim,Tersoff_LAMMPS_Erhart_Albe_CSi__MO_903987585848_001

% Find optimal lattice parameters and reset lattice
opti,,1
end
stop