LAMMPS data file via write_data, version 2 Aug 2023, timestep = 1071, units = metal 6 atoms 3 atom types 2 bonds 1 bond types 0.008291017755927055 3.29813144399406 xlo xhi 0.00717506331365798 2.8562707842053157 ylo yhi 0.02825553867731786 5.044303912822669 zlo zhi -1.646489673810467 -5.4328603135154245e-14 -7.428311653644836e-14 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 0.007464912635051521 1.9065741649766708 2.5275870988966553 0 0 0 2 0 1 2 1.6524678423950634 0.9568717015362346 5.035611285968592 0 0 -1 3 0 2 0.9345 0.007578811148260877 1.906574185520482 4.522141789174922 0 0 0 4 0 2 0.9345 1.652353943881978 0.9568716809924057 2.014117602100755 0 0 0 5 0 3 -2.9345 0.007548412704639284 1.9065739809401765 4.518990111552341 0 0 0 6 0 3 -2.9345 1.6523843423255813 0.9568718855727332 2.0109659244780453 0 0 0 Velocities 1 -4.960894377535911e-05 -4.5122255114841074e-07 -0.000539652561333851 2 4.960894412775849e-05 4.5122255264414953e-07 -0.0005396525582321735 3 -8.036259939902621e-05 -4.020230428058618e-07 0.0006165908568271541 4 8.03625991884298e-05 4.0202338443960686e-07 0.0006165908507543422 5 -0.0003903631704820771 -3.438070098983406e-06 0.0030073395923042655 6 0.00039036316643828786 3.4380662142992616e-06 0.0030073397560403154 Bonds 1 1 3 5 2 1 4 6