LAMMPS data file via write_data, version 29 Sep 2021, timestep = 100000 6 atoms 2 atom types 4 bonds 1 bond types 2 angles 1 angle types 0 31.35187685 xlo xhi 0 31.35187685 ylo yhi 0 31.35187685 zlo zhi Masses 1 16 2 1.008 Pair Coeffs # lj/cut/coul/long 1 0.155425 3.16549 2 0 0 Bond Coeffs # harmonic 1 529.581 1.012 Angle Coeffs # harmonic 1 37.95 113.24 Atoms 1 1 1 -0.82 1.5026689324077283 5.863928543354579 3.792611836941212 2 1 2 0.41 0.949608563235617 6.67792878850468 4.024506527262098 3 1 2 0.41 2.542061320328983 6.034841727577386 3.822920239902413 4 2 1 -0.82 7.984023446667837 11.359952374736203 6.435736949920884 5 2 2 0.41 8.817227182546942 11.213723954966298 5.880386471510548 6 2 2 0.41 7.933347339276622 12.376737335657605 6.56734173868257 Bonds 1 1 1 2 2 1 1 3 3 1 4 5 4 1 4 6 Angles 1 1 2 1 3 2 1 5 4 6