125  125  800    1
  0.1178359E+02  0.1137791E-08  0.1137791E-08  0.1137791E-08  0.5000000E-15
  1.000000000000000E-004
  CAR 
 strcuture opt. SiCO V0-Si33C6O61H25     
    547      8    336