LAMMPS data file via write_data, version 2 Aug 2023, timestep = 145, units = metal 48 atoms 3 atom types 16 bonds 1 bond types 0.045454986109375026 14.41338751389063 xlo xhi 0.009535620653688239 6.175583379346313 ylo yhi 0.0077024667267470625 4.179954033273255 zlo zhi 2.076819658956225e-15 1.972951083269754e-14 1.4296647024160758e-15 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 8.247457978324908 1.039504255287243 4.179954033273254 0 0 -1 2 0 1 2 6.211384520418028 5.145614746392866 0.0077024667267472985 0 0 0 3 0 1 2 13.395350786342485 4.1225281345470215 0.0077024667267470625 0 0 0 4 0 1 2 1.0634917138036666 2.062590866880566 4.179954033273254 0 0 -1 5 0 1 2 1.0634917145389222 4.122528135361176 2.09382825 0 0 0 6 0 1 2 13.395350785094886 2.062590865793489 2.09382825 0 0 0 7 0 1 2 6.211384522076768 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