DISTANCES ATOMS1=1,2 ATOMS2=5,4 LESS_THAN={RATIONAL R_0=1.5} LABEL=d1
DISTANCES ATOMS1=1,2 ATOMS2=5,4 LESS_THAN={RATIONAL R_0=1.5} NUMERICAL_DERIVATIVES LABEL=d1n 
DUMPDERIVATIVES ARG=d1.*,d1n.* FILE=derivatives FMT=%8.5f
