LAMMPS data file via write_data, version 2 Aug 2023, timestep = 159, units = metal 6 atoms 3 atom types 2 bonds 1 bond types 0.008738584241697595 3.497976681008298 xlo xhi 0.00756422835136619 3.0293402751938174 ylo yhi 0.004564843463939936 4.209540050036061 zlo zhi -1.7484617446053188 -2.1522165415275392e-16 1.1571331441838972e-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 0.006828067486430885 2.0220841580202378 1.055808645106969 0 0 0 2 0 1 2 1.7514258376671128 1.014820353405576 3.1582962483930275 0 0 0 3 0 2 0.9345 0.006709928367349127 2.022083538675834 3.1582962483930275 0 0 0 4 0 2 0.9345 1.7515443196370677 1.0148209864296036 1.0558086451069693 0 0 0 5 0 3 -2.9345 0.006655400256593558 2.0220834706950233 3.1582962483930275 0 0 0 6 0 3 -2.9345 1.7515987517103897 1.0148210541494647 1.0558086451069693 0 0 0 Velocities 1 -4.031339706175941e-05 -7.440946373638231e-08 -2.8427301957970086e-15 2 4.050425767677212e-05 1.2031380444246614e-07 1.862098461587963e-15 3 -0.0001564352357240791 1.6885060333960616e-06 8.415074844690988e-16 4 0.00015492238006614573 -1.7170581164002925e-06 -1.760762943046756e-15 5 0.004268470030018023 -1.2724299623140657e-05 7.955253418027218e-14 6 -0.004255596628012781 1.2211262022874547e-05 -6.832853802117436e-14 Bonds 1 1 3 5 2 1 4 6