LAMMPS data file via write_data, version 2 Aug 2023, timestep = 3, units = real 4 atoms 1 atom types -2.5695473936247533 2.5695473936247533 xlo xhi -2.5695473936247533 2.5695473936247533 ylo yhi -2.5695473936247533 2.5695473936247533 zlo zhi 1.685739751807381e-16 1.4355450744222867e-16 1.3671496261675427e-16 xy xz yz Atom Type Labels 1 ICE Bond Type Labels Angle Type Labels Dihedral Type Labels Improper Type Labels Masses 1 140.116 Pair Coeffs # lj/cut 1 6.38 3.32662 Atoms # full 1 1 1 0 2.5695473836671923 -2.5695473936247533 -2.5695473936247533 -1 0 0 2 2 1 0 2.5695473836671923 -4.440892098500626e-16 -4.440892098500626e-16 -1 0 0 3 3 1 0 -9.95755655708308e-09 -2.5695473936247533 -4.440892098500626e-16 0 0 0 4 4 1 0 -9.95755655708308e-09 -4.440892098500626e-16 -2.5695473936247533 0 0 0 Velocities 1 7.1841118665628e-19 -3.499643788251203e-20 -7.732783077414735e-20 2 7.187427100465229e-19 3.634325165537365e-20 7.75764733168295e-20 3 -7.175823781806729e-19 -5.519864447543638e-20 5.702202312177211e-20 4 -7.174166164855514e-19 5.553016786567924e-20 -5.69391422742114e-20