Core-shell LAMMPS data with labels 36 atoms 3 atom types 12 bonds 1 bond types 0.0 3.0015000000000027 xlo xhi 0.0 2.5993752494589946 ylo yhi 0.0 29.812999999999999 zlo zhi -1.5007500000000014 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 Mg 0.0 0 0 14.906499999999999 3 0 Mg 0.0 0 0 7.4532499999999997 4 0 Mg 0.0 0 0 22.359749999999998 5 0 Mg 0.0 -1.8475961501470263e-17 1.7329168329726632 4.9187341768599984 6 0 Mg 0.0 1.5007500000000016 0.8664584164863316 19.825234176859997 7 0 Mg 0.0 1.5007500000000016 0.86645841648633182 24.89426582314 8 0 Mg 0.0 -1.8509268192209078e-16 1.7329168329726636 9.9877658231400002 9 0 Mg 0.0 -1.8475961501470263e-17 1.7329168329726632 17.366658921710002 10 0 Mg 0.0 1.5007500000000016 0.8664584164863316 2.4601589217099979 11 0 Mg 0.0 1.5007500000000016 0.86645841648633182 12.446341078289999 12 0 Mg 0.0 -1.8509268192209078e-16 1.7329168329726636 27.352841078289998 13 0 OC 0.0 0 0 11.216885752589997 14 0 OC 0.0 0 0 26.123385752589996 15 0 OC 0.0 0 0 18.596114247410004 16 0 OC 0.0 0 0 3.689614247410002 17 0 OC 0.0 -1.8475961501470263e-17 1.7329168329726632 1.2303056818989999 18 0 OC 0.0 1.5007500000000016 0.8664584164863316 16.136805681898998 19 0 OC 0.0 1.5007500000000016 0.86645841648633182 28.582694318100998 20 0 OC 0.0 -1.8509268192209078e-16 1.7329168329726636 13.676194318101 21 0 OC 0.0 -1.8475961501470263e-17 1.7329168329726632 23.668483459039997 22 0 OC 0.0 1.5007500000000016 0.8664584164863316 8.7619834590399979 23 0 OC 0.0 1.5007500000000016 0.86645841648633182 6.1445165409600015 24 0 OC 0.0 -1.8509268192209078e-16 1.7329168329726636 21.051016540959999 25 0 OS 0.0 0 0 11.216885752589997 26 0 OS 0.0 0 0 26.123385752589996 27 0 OS 0.0 0 0 18.596114247410004 28 0 OS 0.0 0 0 3.689614247410002 29 0 OS 0.0 -1.8475961501470263e-17 1.7329168329726632 1.2303056818989999 30 0 OS 0.0 1.5007500000000016 0.8664584164863316 16.136805681898998 31 0 OS 0.0 1.5007500000000016 0.86645841648633182 28.582694318100998 32 0 OS 0.0 -1.8509268192209078e-16 1.7329168329726636 13.676194318101 33 0 OS 0.0 -1.8475961501470263e-17 1.7329168329726632 23.668483459039997 34 0 OS 0.0 1.5007500000000016 0.8664584164863316 8.7619834590399979 35 0 OS 0.0 1.5007500000000016 0.86645841648633182 6.1445165409600015 36 0 OS 0.0 -1.8509268192209078e-16 1.7329168329726636 21.051016540959999 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