Core-shell LAMMPS data with labels 72 atoms 3 atom types 24 bonds 1 bond types 0.0 2.9978000000000042 xlo xhi 0.0 2.5961709554649937 ylo yhi 0.0 59.995299999999993 zlo zhi -1.4989000000000021 -2.1114095169717066e-33 2.2204460492503082e-16 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 1.4989000000000021 0.86539031848833115 19.998433333333331 3 0 Mg 0.0 0 1.7307806369766623 39.996866666666662 4 0 Mg 0.0 -1.6283271027804254e-19 -2.2204460492503131e-16 29.997649999999997 5 0 Mg 0.0 1.4989000000000021 0.86539031848833092 49.996083333333331 6 0 Mg 0.0 -1.6283271027804254e-19 1.7307806369766621 9.9992166666666655 7 0 Mg 0.0 0 0 52.528875915705001 8 0 Mg 0.0 0 0 7.4664240842949949 9 0 Mg 0.0 1.4989000000000021 0.86539031848833115 12.532009249038335 10 0 Mg 0.0 1.4989000000000021 0.86539031848833115 27.464857417628327 11 0 Mg 0.0 0 1.7307806369766623 32.530442582371663 12 0 Mg 0.0 0 1.7307806369766623 47.463290750961654 13 0 Mg 0.0 0 0 17.533409242013999 14 0 Mg 0.0 0 0 42.461890757985991 15 0 Mg 0.0 1.4989000000000021 0.86539031848833115 37.531842575347326 16 0 Mg 0.0 1.4989000000000021 0.86539031848833115 2.4650240913193304 17 0 Mg 0.0 0 1.7307806369766623 57.530275908680665 18 0 Mg 0.0 0 1.7307806369766623 22.46345742465266 19 0 Mg 0.0 5.5470443053688316e-17 0 24.920271159166994 20 0 Mg 0.0 -1.1094088610737663e-16 4.4408920985006262e-16 35.075028840832999 21 0 Mg 0.0 1.4989000000000021 0.86539031848833115 44.918704492500325 22 0 Mg 0.0 1.4989000000000021 0.86539031848833159 55.073462174166323 23 0 Mg 0.0 5.5470443053688316e-17 1.7307806369766623 4.9218378258336646 24 0 Mg 0.0 -1.1094088610737663e-16 1.7307806369766627 15.076595507499665 25 0 OC 0.0 5.5470443053688316e-17 0 38.764090041734001 26 0 OC 0.0 -1.1094088610737663e-16 4.4408920985006262e-16 21.231209958265993 27 0 OC 0.0 1.4989000000000021 0.86539031848833115 58.762523375067332 28 0 OC 0.0 1.4989000000000021 0.86539031848833159 41.229643291599324 29 0 OC 0.0 5.5470443053688316e-17 1.7307806369766623 18.76565670840067 30 0 OC 0.0 -1.1094088610737663e-16 1.7307806369766627 1.2327766249326608 31 0 OC 0.0 0 0 56.301447574440999 32 0 OC 0.0 0 0 3.6938524255589975 33 0 OC 0.0 1.4989000000000021 0.86539031848833115 16.304580907774334 34 0 OC 0.0 1.4989000000000021 0.86539031848833115 23.692285758892329 35 0 OC 0.0 0 1.7307806369766623 36.303014241107661 36 0 OC 0.0 0 1.7307806369766623 43.690719092225663 37 0 OC 0.0 0 0 48.769914190773989 38 0 OC 0.0 0 0 11.225385809225999 39 0 OC 0.0 1.4989000000000021 0.86539031848833115 8.77304752410733 40 0 OC 0.0 1.4989000000000021 0.86539031848833115 31.223819142559329 41 0 OC 0.0 0 1.7307806369766623 28.771480857440661 42 0 OC 0.0 0 1.7307806369766623 51.22225247589266 43 0 OC 0.0 0 0 46.149029709474995 44 0 OC 0.0 0 0 13.846270290524998 45 0 OC 0.0 1.4989000000000021 0.86539031848833115 6.1521630428083318 46 0 OC 0.0 1.4989000000000021 0.86539031848833115 33.844703623858329 47 0 OC 0.0 0 1.7307806369766623 26.150596376141664 48 0 OC 0.0 0 1.7307806369766623 53.84313695719166 49 0 OS 0.0 5.5470443053688316e-17 0 38.764090041734001 50 0 OS 0.0 -1.1094088610737663e-16 4.4408920985006262e-16 21.231209958265993 51 0 OS 0.0 1.4989000000000021 0.86539031848833115 58.762523375067332 52 0 OS 0.0 1.4989000000000021 0.86539031848833159 41.229643291599324 53 0 OS 0.0 5.5470443053688316e-17 1.7307806369766623 18.76565670840067 54 0 OS 0.0 -1.1094088610737663e-16 1.7307806369766627 1.2327766249326608 55 0 OS 0.0 0 0 56.301447574440999 56 0 OS 0.0 0 0 3.6938524255589975 57 0 OS 0.0 1.4989000000000021 0.86539031848833115 16.304580907774334 58 0 OS 0.0 1.4989000000000021 0.86539031848833115 23.692285758892329 59 0 OS 0.0 0 1.7307806369766623 36.303014241107661 60 0 OS 0.0 0 1.7307806369766623 43.690719092225663 61 0 OS 0.0 0 0 48.769914190773989 62 0 OS 0.0 0 0 11.225385809225999 63 0 OS 0.0 1.4989000000000021 0.86539031848833115 8.77304752410733 64 0 OS 0.0 1.4989000000000021 0.86539031848833115 31.223819142559329 65 0 OS 0.0 0 1.7307806369766623 28.771480857440661 66 0 OS 0.0 0 1.7307806369766623 51.22225247589266 67 0 OS 0.0 0 0 46.149029709474995 68 0 OS 0.0 0 0 13.846270290524998 69 0 OS 0.0 1.4989000000000021 0.86539031848833115 6.1521630428083318 70 0 OS 0.0 1.4989000000000021 0.86539031848833115 33.844703623858329 71 0 OS 0.0 0 1.7307806369766623 26.150596376141664 72 0 OS 0.0 0 1.7307806369766623 53.84313695719166 Bonds 1 OC-OS 25 49 2 OC-OS 26 50 3 OC-OS 27 51 4 OC-OS 28 52 5 OC-OS 29 53 6 OC-OS 30 54 7 OC-OS 31 55 8 OC-OS 32 56 9 OC-OS 33 57 10 OC-OS 34 58 11 OC-OS 35 59 12 OC-OS 36 60 13 OC-OS 37 61 14 OC-OS 38 62 15 OC-OS 39 63 16 OC-OS 40 64 17 OC-OS 41 65 18 OC-OS 42 66 19 OC-OS 43 67 20 OC-OS 44 68 21 OC-OS 45 69 22 OC-OS 46 70 23 OC-OS 47 71 24 OC-OS 48 72