Core-shell LAMMPS data with labels 36 atoms 3 atom types 12 bonds 1 bond types 0.0 9.6893999999999814 xlo xhi 0.0 8.3912665474289252 ylo yhi 0.0 4.1859000000000002 zlo zhi -4.8446999999999907 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 -1.0128205795679981 3.8140283440463039 0 2 0 Mg 0.0 2.0480648530859966 5.6071240240242082 0 3 0 Mg 0.0 -1.0352442735179985 7.3613807267873375 0 4 0 Mg 0.0 5.8575205795679892 4.5772382033826213 0 5 0 Mg 0.0 2.7966351469139941 2.784142523404717 0 6 0 Mg 0.0 5.8799442735179888 1.0298858206415877 0 7 0 Mg 0.0 3.8094557264819922 1.0298858206415877 2.0929500000000001 8 0 Mg 0.0 3.8318794204319921 4.5772382033826213 2.0929500000000001 9 0 Mg 0.0 6.8927648530859873 2.784142523404717 2.0929500000000001 10 0 Mg 0.0 1.0352442735179981 7.3613807267873375 2.0929500000000001 11 0 Mg 0.0 1.0128205795679979 3.8140283440463039 2.0929500000000001 12 0 Mg 0.0 -2.0480648530859962 5.6071240240242082 2.0929500000000001 13 0 OC 0.0 3.7831033199609929 1.0299664607131085 0 14 0 OC 0.0 6.9058712199959871 2.7612803498709164 0 15 0 OC 0.0 3.8451254600429925 4.6000197368449012 0 16 0 OC 0.0 1.0615966800389975 7.3613000867158167 0 17 0 OC 0.0 -2.0611712199959964 5.6299861975580097 0 18 0 OC 0.0 0.99957453995699808 3.791246810584024 0 19 0 OC 0.0 -0.99957453995699852 3.791246810584024 2.0929500000000001 20 0 OC 0.0 -1.061596680038998 7.3613000867158167 2.0929500000000001 21 0 OC 0.0 2.061171219995996 5.6299861975580097 2.0929500000000001 22 0 OC 0.0 5.8442745399569898 4.6000197368449012 2.0929500000000001 23 0 OC 0.0 5.9062966800389889 1.0299664607131085 2.0929500000000001 24 0 OC 0.0 2.7835287800039947 2.7612803498709164 2.0929500000000001 25 0 OS 0.0 3.7831033199609929 1.0299664607131085 0 26 0 OS 0.0 6.9058712199959871 2.7612803498709164 0 27 0 OS 0.0 3.8451254600429925 4.6000197368449012 0 28 0 OS 0.0 1.0615966800389975 7.3613000867158167 0 29 0 OS 0.0 -2.0611712199959964 5.6299861975580097 0 30 0 OS 0.0 0.99957453995699808 3.791246810584024 0 31 0 OS 0.0 -0.99957453995699852 3.791246810584024 2.0929500000000001 32 0 OS 0.0 -1.061596680038998 7.3613000867158167 2.0929500000000001 33 0 OS 0.0 2.061171219995996 5.6299861975580097 2.0929500000000001 34 0 OS 0.0 5.8442745399569898 4.6000197368449012 2.0929500000000001 35 0 OS 0.0 5.9062966800389889 1.0299664607131085 2.0929500000000001 36 0 OS 0.0 2.7835287800039947 2.7612803498709164 2.0929500000000001 Bonds 1 OC-OS 13 25 2 OC-OS 14 26 3 OC-OS 15 27 4 OC-OS 16 28 5 OC-OS 17 29 6 OC-OS 18 30 7 OC-OS 19 31 8 OC-OS 20 32 9 OC-OS 21 33 10 OC-OS 22 34 11 OC-OS 23 35 12 OC-OS 24 36