12   12  100    1
  0.1153152E+02  0.5118000E-09  0.5185700E-09  0.5284100E-09  0.2000000E-14
   400.000000000000     
  CAR 
 (HfO2)4  nVT 20000fs,2fs,400K on-the-fly
     88     14     60