LAMMPS Description 4 atoms 2 bonds 1 angles 4 atom types 3 bond types 1 angle types -40.0 40.0 xlo xhi -40.0 40.0 ylo yhi -40.0 40.0 zlo zhi Masses 1 80 2 65 3 15 4 30 Bond Coeffs 1 200 2.0 2 200 3.0 # hard bond 3 100 3.0 # weak bond Angle Coeffs 1 200 144.1868904 Atoms 1 1 1 0.0 10.0 1.0 1.0 2 2 2 0.0 -1.0 0.0 0.0 3 3 3 0.0 0.0 0.0 0.0 4 3 4 0.0 1.0 0.0 0.0 Bonds 1 1 2 3 2 2 2 4 Angles 1 1 3 2 4 Pair Coeffs 1 1 0.01 4 2 2 0.01 4 3 3 0.01 4 4 4 0.01 4