Core-shell LAMMPS data with labels 3 atoms 3 atom types 1 bonds 1 bond types 0.0 2.9385000000000119 xlo xhi 0.0 2.5448156490205833 ylo yhi 0.0 2.6806999999999999 zlo zhi -1.4692500000000059 0 0 xy xz yz Atom Type Labels 1 Mg 2 OC 3 OS Bond Type Labels 1 OC-OS Atoms # full 1 0 Mg 0.0 0 0 0 2 0 OC 0.0 1.7365738476845377e-17 1.6965437660137221 1.3403499999999999 3 0 OS 0.0 1.7365738476845377e-17 1.6965437660137221 1.3403499999999999 Bonds 1 OC-OS 2 3