LAMMPS data file via write_data, version 2 Aug 2023, timestep = 4, units = real 4 atoms 1 atom types -1.9374747932438634 1.9374747932438634 xlo xhi -1.9374747932438636 1.9374747932438636 ylo yhi -1.9374747932438636 1.9374747932438636 zlo zhi -6.166427377500713e-17 -1.1020616843731784e-16 2.2304779810254725e-17 xy xz yz Atom Type Labels 1 IPD Bond Type Labels Angle Type Labels Dihedral Type Labels Improper Type Labels Masses 1 106.42 Pair Coeffs # lj/cut 1 6.15 2.51144 Atoms # full 1 1 1 0 1.937474783282565 -1.9374747932438636 -1.9374747932438636 -1 0 0 2 2 1 0 1.937474783282565 -3.552713678800501e-15 -3.552713678800501e-15 -1 0 0 3 3 1 0 -9.961309332950918e-09 -1.9374747932438636 -3.552713678800501e-15 0 0 0 4 4 1 0 -9.961309332950918e-09 -3.552713678800501e-15 -1.9374747932438636 0 0 0 Velocities 1 -3.965987887815107e-18 -1.3290162471302055e-18 -1.33447242681298e-18 2 -3.9633689215673756e-18 1.3313624043937985e-18 1.3318534605652484e-18 3 3.965769640627796e-18 -1.330871348222349e-18 1.330434853847727e-18 4 3.962932427192753e-18 1.329998359473105e-18 -1.3341450560320134e-18