LAMMPS data file via write_data, version 2 Aug 2023, timestep = 425, units = metal 3 atoms 3 atom types 1 bonds 1 bond types 0.014580607483871601 2.9019173737661386 xlo xhi 0.01262148284031208 2.513139859008229 ylo yhi 0.024387050146819404 2.6362412086031943 zlo zhi -1.44537767900919 -1.3113287214721938e-16 -3.2227990227283814e-16 xy xz yz Atom Type Labels 1 Mg 2 OC 3 OS Bond Type Labels 1 OC-OS Masses 1 24.305 2 14.639 3 1.36 Pair Coeffs # born/coul/long/cs 1 0 1 0 0 0 2 0 1 0 0 0 3 22764.5 0.149 0 20.37 0 Bond Coeffs # harmonic 1 51.71 0 Atoms # full 1 0 1 2 0.014626610400478602 0.01262270412913445 0.024387050146819404 0 0 0 2 0 2 0.9345 0.013350246244095712 1.6796324934506868 1.3303141293750051 0 0 0 3 0 3 -2.9345 0.013456830168244241 1.6796332603383806 1.3303141293750051 0 0 0 Velocities 1 5.667388191989893e-05 -6.470816883346841e-07 -8.902813946527065e-15 2 0.0007990040883872316 6.474867641458832e-06 -1.317142149603807e-15 3 -0.009613293786746475 -5.813107877764068e-05 1.4335209129514391e-13 Bonds 1 1 2 3