Core-shell LAMMPS data with labels 72 atoms 3 atom types 24 bonds 1 bond types 0.0 15.132099999999998 xlo xhi 0.0 8.7233000000000001 ylo yhi 0.0 5.6802275910987996 zlo zhi 0 0.028681062049032549 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 10.932701935153823 0.89021206713600032 3.2754692726461276 2 0 Mg 0.0 4.242419657919724 0.89021206713599987 5.24487211400207 3 0 Mg 0.0 3.3666519351538238 5.2518620671360008 3.2754692726461276 4 0 Mg 0.0 11.808469657919723 5.2518620671359999 5.24487211400207 5 0 Mg 0.0 4.2280791268952083 7.8330879328640002 2.4047583184526706 6 0 Mg 0.0 10.918361404129307 7.8330879328640002 0.43535547709672784 7 0 Mg 0.0 11.794129126895207 3.4714379328640002 2.4047583184526706 8 0 Mg 0.0 3.3523114041293081 3.4714379328640002 0.43535547709672784 9 0 Mg 0.0 8.5854923018752149 3.4532204548430006 3.2682778205044167 10 0 Mg 0.0 6.5896292911983334 3.4532204548430006 5.2520635661437804 11 0 Mg 0.0 1.0194423018752161 7.8148704548430006 3.2682778205044167 12 0 Mg 0.0 14.155679291198332 7.8148704548430006 5.2520635661437804 13 0 Mg 0.0 6.5752887601738177 5.2700795451569995 2.4119497705943806 14 0 Mg 0.0 8.5711517708506975 5.2700795451569995 0.42816402495501737 15 0 Mg 0.0 14.141338760173817 0.90842954515699992 2.4119497705943806 16 0 Mg 0.0 1.0051017708506986 0.90842954515699947 0.42816402495501737 17 0 Mg 0.0 10.027636578765069 2.4303392945600004 0.43755559964958746 18 0 Mg 0.0 5.1188039522594462 2.4303392945600004 2.4025581958998106 19 0 Mg 0.0 2.4615865787650701 6.7919892945600004 0.43755559964958746 20 0 Mg 0.0 12.684853952259445 6.7919892945600004 2.4025581958998106 21 0 Mg 0.0 5.1331444832839619 6.2929607054399996 5.2426719914492104 22 0 Mg 0.0 10.041977109789586 6.2929607054399996 3.2776693951989873 23 0 Mg 0.0 12.699194483283961 1.9313107054399996 5.2426719914492104 24 0 Mg 0.0 2.4759271097895876 1.9313107054399996 3.2776693951989873 25 0 OC 0.0 8.6108564254472277 3.4208934752369995 5.2786165852502354 26 0 OC 0.0 6.5642651676263188 3.4208934752369995 3.2417248013979618 27 0 OC 0.0 1.0448064254472289 7.7825434752369995 5.2786165852502354 28 0 OC 0.0 14.130315167626318 7.7825434752369995 3.2417248013979618 29 0 OC 0.0 6.5499246366018031 5.3024065247630006 0.40161100584856246 30 0 OC 0.0 8.596515894422712 5.3024065247630006 2.4385027897008356 31 0 OC 0.0 14.115974636601802 0.94075652476300053 0.40161100584856246 32 0 OC 0.0 1.0304658944227132 0.94075652476300053 2.4385027897008356 33 0 OC 0.0 10.914059412962384 0.86278609916900129 5.2628964417873183 34 0 OC 0.0 4.2610621801111623 0.86278609916900084 3.2574449448608798 35 0 OC 0.0 3.3480094129623854 5.2244360991690009 5.2628964417873183 36 0 OC 0.0 11.827112180111161 5.2244360991690009 3.2574449448608798 37 0 OC 0.0 4.2467216490866466 7.8605139008309983 0.41733114931147952 38 0 OC 0.0 10.899718881937869 7.8605139008309992 2.4227826462379185 39 0 OC 0.0 11.812771649086645 3.4988639008309987 0.41733114931147952 40 0 OC 0.0 3.3336688819378697 3.4988639008309992 2.4227826462379185 41 0 OC 0.0 9.9960795720262929 2.4114932155410003 2.4252537156468743 42 0 OC 0.0 5.1503609589982222 2.4114932155410003 0.41486007990252372 43 0 OC 0.0 2.4300295720262941 6.7731432155410003 2.4252537156468743 44 0 OC 0.0 12.716410958998221 6.7731432155410003 0.41486007990252372 45 0 OC 0.0 5.1647014900227379 6.3118067844589998 3.2549738754519235 46 0 OC 0.0 10.010420103050809 6.3118067844589998 5.2653675111962741 47 0 OC 0.0 12.730751490022737 1.9501567844589993 3.2549738754519235 48 0 OC 0.0 2.4443701030508098 1.9501567844589998 5.2653675111962741 49 0 OS 0.0 8.6108564254472277 3.4208934752369995 5.2786165852502354 50 0 OS 0.0 6.5642651676263188 3.4208934752369995 3.2417248013979618 51 0 OS 0.0 1.0448064254472289 7.7825434752369995 5.2786165852502354 52 0 OS 0.0 14.130315167626318 7.7825434752369995 3.2417248013979618 53 0 OS 0.0 6.5499246366018031 5.3024065247630006 0.40161100584856246 54 0 OS 0.0 8.596515894422712 5.3024065247630006 2.4385027897008356 55 0 OS 0.0 14.115974636601802 0.94075652476300053 0.40161100584856246 56 0 OS 0.0 1.0304658944227132 0.94075652476300053 2.4385027897008356 57 0 OS 0.0 10.914059412962384 0.86278609916900129 5.2628964417873183 58 0 OS 0.0 4.2610621801111623 0.86278609916900084 3.2574449448608798 59 0 OS 0.0 3.3480094129623854 5.2244360991690009 5.2628964417873183 60 0 OS 0.0 11.827112180111161 5.2244360991690009 3.2574449448608798 61 0 OS 0.0 4.2467216490866466 7.8605139008309983 0.41733114931147952 62 0 OS 0.0 10.899718881937869 7.8605139008309992 2.4227826462379185 63 0 OS 0.0 11.812771649086645 3.4988639008309987 0.41733114931147952 64 0 OS 0.0 3.3336688819378697 3.4988639008309992 2.4227826462379185 65 0 OS 0.0 9.9960795720262929 2.4114932155410003 2.4252537156468743 66 0 OS 0.0 5.1503609589982222 2.4114932155410003 0.41486007990252372 67 0 OS 0.0 2.4300295720262941 6.7731432155410003 2.4252537156468743 68 0 OS 0.0 12.716410958998221 6.7731432155410003 0.41486007990252372 69 0 OS 0.0 5.1647014900227379 6.3118067844589998 3.2549738754519235 70 0 OS 0.0 10.010420103050809 6.3118067844589998 5.2653675111962741 71 0 OS 0.0 12.730751490022737 1.9501567844589993 3.2549738754519235 72 0 OS 0.0 2.4443701030508098 1.9501567844589998 5.2653675111962741 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