LAMMPS data file 3 atoms 2 bonds 1 angles 0 dihedrals 0 impropers 2 atom types 1 bond types 1 angle types 0 dihedral types 0 improper types -5 5 xlo xhi -5 5 ylo yhi -5 5 zlo zhi Masses 1 1.008000 2 15.999400 Atoms 1 1 2 -0.847600 -0.000009 2.466906 2.466871 2 1 1 0.423800 -0.118331 1.592644 2.937684 3 1 1 0.423800 -0.675232 2.544522 1.733352 Bonds 1 1 1 2 2 1 1 3 Angles 1 1 2 1 3