head Test calculation: Stillinger-Weber silicon ground state and compression

% Set convergence tolerance for CG
fact,gtol,1e-16
  
% read in material definitions
mate,dire
 'Al-Ni(L12)'
  4.0 0 0 
  0 4.0 0 
  0 0 4.0
  4
  13 0 0 0
  28 0 2.0 2.0
  28 2.0 0 2.0
 28 2.0 2.0 0
  1
  1
  1
  1
  
% read in constitutive information
cons,kim,EAM_Dynamo_Angelo_Moody_NiAlH__MO_418978237058_004

% check equilibrium
equi,,  
% Find optimal lattice parameters and reset lattice
end
stop