LAMMPS data file via write_data, version 2 Aug 2023, timestep = 36, units = real 4 atoms 1 atom types -2.770574357036995 2.770574357036995 xlo xhi -2.770574357036995 2.770574357036995 ylo yhi -2.770574357036995 2.770574357036995 zlo zhi -1.0684760797688033e-16 -6.307456022402104e-17 -5.959175090934617e-17 xy xz yz Atom Type Labels 1 ICA Bond Type Labels Angle Type Labels Dihedral Type Labels Improper Type Labels Masses 1 40.078 Pair Coeffs # lj/cut 1 3.36 3.58587 Atoms # full 1 1 1 0 2.770574347120839 2.770574347120839 -2.770574357036995 -1 -1 0 2 2 1 0 2.770574347120839 -9.916158560940858e-09 -4.440892098500626e-16 -1 0 0 3 3 1 0 -9.916158560940858e-09 2.770574347120839 -4.440892098500626e-16 0 -1 0 4 4 1 0 -9.916158560940858e-09 -9.916158560940858e-09 -2.770574357036995 0 0 0 Velocities 1 -6.913632853097909e-19 -6.913632853097909e-19 -8.591333365228542e-20 2 -6.907837687252898e-19 6.961805169184561e-19 7.345372708551215e-20 3 6.923774393326678e-19 -6.893349772640371e-19 7.410568324307587e-20 4 6.907837687252898e-19 6.936813516477952e-19 -8.576845450616014e-20