Si single configuration (synthetic, degenerate trajectory)
   1.0
     5.6000000000000000    0.0000000000000000    0.0000000000000000
     0.0000000000000000    5.6000000000000000    0.0000000000000000
     0.0000000000000000    0.0000000000000000    5.6000000000000000
   Si
     2
Direct configuration=     1
  0.00000000  0.00000000  0.00000000
  0.50000000  0.50000000  0.50000000
