dft-agent Si relax                      
           1
     3.325795    0.000000    1.920148
     1.108598    3.135589    1.920148
     0.000000    0.000000    3.840297
   Si
   2
Direct configuration=     1
   0.00000000  0.00000000  0.00000000
   0.25000000  0.25000000  0.25000000
dft-agent Si relax                      
           1
     3.364362    0.000000    1.942416
     1.121454    3.171951    1.942416
     0.000000    0.000000    3.884831
   Si
   2
Direct configuration=     2
  -0.00000000  0.00000000 -0.00000000
   0.25000000  0.25000000  0.25000000
dft-agent Si relax                      
           1
     3.348647    0.000000    1.933342
     1.116216    3.157134    1.933342
     0.000000    0.000000    3.866684
   Si
   2
Direct configuration=     3
  -0.00000000  0.00000000 -0.00000000
   0.25000000  0.25000000  0.25000000
