0.020 : CH4 mass (kg/mol) TEMP.0 : temperature (K) PRES : pressure (bars) 3 : N: number of molecules in MC pore (initial) EXCH : number of attempts to exchange CYCL : number of cycles per step STEP : number of steps/bin BIN : number of bins TRAN : stepsize for a translational atom move 0.1 : stepsize for a orientational atom move 0.0 : test to stop moving the step size CUT : the Cut-OFF range (Anstroms)