input.kmc

#Build the lattice 

#The initial species for covering the lattice must NOT contain '*', otherwise apothesis will take the sites as occupied
lattice: SimpleCubic 10 10 10 X 

#This is for reading from files heights or specties. The user can define either to be read by file
#lattice: SimpleCubic 10 10 heigths.dat species.dat 

#The growing film
growth: CO2

#Create steps (alaways in the x-direaction - see above 1st number), number of steps 
#(e.g. if 10 each step will consist of two atoms), height difference (each step will increase by 20, so 1st step: 10, 2nd: 30, 3rd, 50 etc) 
#steps: 2 1 

#Start time in seconds - default is zero
time_start: 5

#Total time in seconds
time_duration: 500

#T in Kelvin
temperature: 1000

#P in Pascal
pressure: 101325

#Random number initialization
random: 1234

#Simple s0*f*P/(2*pi*MW*Ctot*kb*T) -> Sticking coefficient [-], f [-], C_tot [sites/m2], MW [kg/mol] 
#A + * -> A*: simple 0.1 2.0e-4 1.0e+19 0.032 

#Constant is a constant value in [ML/s]
CO + * -> CO*: constant 0.4 #0.389

#Constant is a constant value in [ML/s]	
O2 + 2* -> 2O*: constant 0.15 all #0.611
		  		
#A reaction 												
CO* + O* -> CO2*: constant 1.e+15

#Desorption
#CO2* -> * + CO2: constant 0.2 all

#Example of growth reaction. The 1sr reactant is tranformed to the 1st product, the 2nd reactan to the 2nd product etc. 
#If #Reactants > #Products then only the first Nth reactants are tranformed to the (N-x) reactants. 
#Products that have "*" stay on the lattice (adsorbed) 
#products that do not have "*" are assumed to desorb instantly.  
#CO* + O* -> CO2* : constant 0.25e+5


#Time to write in log 
write: log 0.1

#Time to write the lattice heights & species
write: lattice 10

#Report the coverage of certain species. The time will follow the write in log file
report: coverage CO* O* X