LAMMPS data file via write_data, version 2 Aug 2023, timestep = 5, units = real 4 atoms 1 atom types -1.9346963305680875 1.9346963305680875 xlo xhi -1.9346963305680875 1.9346963305680875 ylo yhi -1.9346963305680875 1.9346963305680875 zlo zhi 5.274711195600748e-18 -1.8291599936051723e-17 9.72385131445401e-17 xy xz yz Atom Type Labels 1 Pd Bond Type Labels Angle Type Labels Dihedral Type Labels Improper Type Labels Masses 1 106.4 Pair Coeffs # lj/class2 1 5.03 2.868 Atoms # full 1 1 1 0 1.9346963206210719 -1.9346963305680875 -1.9346963305680875 -1 0 0 2 2 1 0 1.9346963206210719 -4.218847493575595e-15 -4.218847493575595e-15 -1 0 0 3 3 1 0 -9.947025425560696e-09 -1.9346963305680875 -4.218847493575595e-15 0 0 0 4 4 1 0 -9.947025425560696e-09 -4.218847493575595e-15 -1.9346963305680875 0 0 0 Velocities 1 -2.6631161768640906e-18 -1.1890704585592556e-18 -1.1754820174109122e-18 2 -2.6631161768640906e-18 1.1863964279718306e-18 1.1813757991138082e-18 3 2.6635527532865276e-18 -1.1901073275625428e-18 1.1826855283811182e-18 4 2.665735635398711e-18 1.186614716183049e-18 -1.1619481483153733e-18