Methane          Methane       COUL         OFF   
Methane          Methane       NCOUL      BASIC       LJ  

IRMOF1         Methane     NCOUL      BASIC       LJ     FAST  
IRMOF1         Methane     COUL        OFF

IRMOF1         IRMOF1     NCOUL     OFF
IRMOF1         IRMOF1     COUL        OFF