1 180   1   0  0.1336724E+02  0.1000000E-03
  CAR 
 LKU21-V1, Si31C26O39H84 , Relax atom pos
   0   0   0
   1   1
 256 256 256
 256
  0.1000000E-09
  0.6250000E-11
   1
  0.5000000E-15  0.1340000E-08  0.1340000E-08  0.1340000E-08