1  55   1   0  0.1981072E+02  0.1000000E-03
  CAR 
 Relax atom position only : NH2-Si + H-Si
   0   0   0
   1   1
 256 256 256
 256
  0.1000000E-09
  0.6250000E-11
   1
  0.5000000E-15  0.7610030E-09  0.7610030E-09  0.2172499E-08