LAMMPS Atom File 3 atoms 2 bonds 1 angles 0 dihedrals 3 atom types 2 bond types 1 angle types 0.000000 100.00 xlo xhi 0.000000 100.00 ylo yhi -100.000000 120.0 zlo zhi Masses 1 15.994000 2 1.007940 3 28.085000 Atoms 1 1 1 -0.710000 0.000000 0.000000 8.056193 2 1 3 0.310000 0.000000 0.000000 6.546193 3 1 2 0.400000 0.277602 -0.901021 8.389507 Bonds 1 1 3 1 2 2 1 2 Angles 1 1 2 1 3