LAMMPS data file via write_data, version 2 Aug 2023, timestep = 10, units = metal 12 atoms 3 atom types 4 bonds 1 bond types 0.0009245349162108125 4.2255207963337895 xlo xhi 0.0009245349162108645 4.2255207963337895 ylo yhi 0.0009245349162104073 4.2255207963337895 zlo zhi -1.033998914539058e-17 5.941939805668936e-16 6.634864436179203e-16 xy xz yz Atom Type Labels 1 Mg 2 OC 3 OS Bond Type Labels 1 OC-OS Masses 1 24.305 2 14.639 3 1.36 Pair Coeffs # born/coul/long/cs 1 0 1 0 0 0 2 0 1 0 0 0 3 22764.5 0.149 0 20.37 0 Bond Coeffs # harmonic 1 51.71 0 Atoms # full 1 0 1 2 0.0009245349162108125 0.0009245349162108645 0.0009245349162104073 0 0 0 2 0 1 2 0.0009245349162111059 2.113222665625 2.1132226656249995 0 0 0 3 0 1 2 2.113222665625 0.0009245349162111973 2.1132226656249995 0 0 0 4 0 1 2 2.1132226656249995 2.1132226656249995 0.0009245349162104073 0 0 0 5 0 2 0.9345 2.113222665625 2.113222665625 2.1132226656249995 0 0 0 6 0 2 0.9345 2.1132226656249995 0.0009245349162108645 0.0009245349162104076 0 0 0 7 0 2 0.9345 0.0009245349162108073 2.1132226656249995 0.0009245349162104074 0 0 0 8 0 2 0.9345 0.0009245349162111109 0.0009245349162111975 2.1132226656249995 0 0 0 9 0 3 -2.9345 2.113222665625 2.113222665625 2.1132226656249995 0 0 0 10 0 3 -2.9345 2.1132226656249995 0.000924534916210866 0.0009245349162104132 0 0 0 11 0 3 -2.9345 0.0009245349162108073 2.1132226656249995 0.0009245349162104126 0 0 0 12 0 3 -2.9345 0.0009245349162111104 0.0009245349162111963 2.1132226656249995 0 0 0 Velocities 1 -7.051733819031339e-16 -9.255400637478632e-16 -4.572608648278134e-16 2 -3.085133545826211e-16 -1.1018334092236468e-16 -2.2477401548162393e-15 3 1.0908150751314104e-15 -6.115175421191239e-16 -1.0281482999818154e-15 4 2.258758488908476e-15 1.038477988193287e-15 -7.757595846815237e-16 5 -2.240971018423144e-16 7.065918823395423e-16 6.102072614961387e-15 6 -2.835514349841529e-16 1.518372200237722e-15 1.0291030558200056e-14 7 -3.4757917836767127e-15 -9.695629712361357e-16 8.913576561034097e-15 8 -1.1342057399366116e-15 -1.8842450195721127e-15 6.77322056792791e-15 9 1.752518698525798e-14 5.887675178193411e-14 3.970242501014202e-14 10 -1.1027083945780302e-14 -1.624525759869419e-14 -3.884093407687794e-14 11 1.7328274771940472e-14 2.7567709864450755e-15 -3.406581290392843e-14 12 -3.150595413080086e-15 1.2208557225685333e-14 -1.1027083945780302e-14 Bonds 1 1 5 9 2 1 6 10 3 1 7 11 4 1 8 12