LKD-V1, Si31C20O45H64 , nVT, 200fs, 4fs,
           1
    12.690000    0.000000    0.000000
     0.000000   12.690000    0.000000
     0.000000    0.000000   12.690000
   Si   C    O    H 
    31    20    45    64