Core-shell LAMMPS data with labels 72 atoms 3 atom types 24 bonds 1 bond types 0.0 21.612399999999997 xlo xhi 0.0 6.1654999999999989 ylo yhi 0.0 4.2178999999999993 zlo zhi Atom Type Labels 1 Mg 2 OC 3 OS Bond Type Labels 1 OC-OS Atoms # full 1 0 Mg 0.0 20.583784621375997 5.1391302631349989 0 2 0 Mg 0.0 1.0286153786240071 1.0263697368650004 0 3 0 Mg 0.0 11.834815378624006 2.0563802631349994 0 4 0 Mg 0.0 9.7775846213759987 4.109119736864999 0 5 0 Mg 0.0 9.7775846213759987 2.0563802631349994 2.1089499999999997 6 0 Mg 0.0 11.834815378624006 4.1091197368649999 2.1089499999999997 7 0 Mg 0.0 1.0286153786240071 5.1391302631349989 2.1089499999999997 8 0 Mg 0.0 20.583784621375997 1.026369736865 2.1089499999999997 9 0 Mg 0.0 17.087679157387999 5.1441917687049985 0 10 0 Mg 0.0 4.5247208426120054 1.0213082312949999 0 11 0 Mg 0.0 15.330920842612004 2.061441768705 0 12 0 Mg 0.0 6.2814791573880004 4.1040582312949994 0 13 0 Mg 0.0 6.2814791573880004 2.0614417687049991 2.1089499999999997 14 0 Mg 0.0 15.330920842612004 4.1040582312949994 2.1089499999999997 15 0 Mg 0.0 4.5247208426120054 5.1441917687049994 2.1089499999999997 16 0 Mg 0.0 17.087679157387999 1.0213082312950001 2.1089499999999997 17 0 Mg 0.0 8.0363148330599987 1.0159055269550001 0 18 0 Mg 0.0 13.576085166940004 5.1495944730449992 0 19 0 Mg 0.0 2.7698851669400053 4.0986555269549996 0 20 0 Mg 0.0 18.842514833059997 2.0668444730449997 0 21 0 Mg 0.0 18.842514833059997 4.0986555269549996 2.1089499999999997 22 0 Mg 0.0 2.7698851669400053 2.0668444730449997 2.1089499999999997 23 0 Mg 0.0 13.576085166940004 1.0159055269549997 2.1089499999999997 24 0 Mg 0.0 8.0363148330599987 5.1495944730449992 2.1089499999999997 25 0 OC 0.0 18.841120401011995 4.1012512024549999 0 26 0 OC 0.0 2.7712795989880092 2.0642487975449986 0 27 0 OC 0.0 13.577479598988008 1.0185012024550011 0 28 0 OC 0.0 8.0349204010119966 5.1469987975449989 0 29 0 OC 0.0 8.0349204010119966 1.0185012024550004 2.1089499999999997 30 0 OC 0.0 13.577479598988008 5.146998797544998 2.1089499999999997 31 0 OC 0.0 2.7712795989880092 4.1012512024550007 2.1089499999999997 32 0 OC 0.0 18.841120401011995 2.064248797544999 2.1089499999999997 33 0 OC 0.0 9.7781147735479959 2.0275624078599983 0 34 0 OC 0.0 11.834285226452007 4.137937592140001 0 35 0 OC 0.0 1.0280852264520082 5.1103124078599977 0 36 0 OC 0.0 20.584314773547995 1.0551875921400014 0 37 0 OC 0.0 20.584314773547995 5.1103124078599977 2.1089499999999997 38 0 OC 0.0 1.0280852264520082 1.0551875921400016 2.1089499999999997 39 0 OC 0.0 11.834285226452007 2.0275624078599983 2.1089499999999997 40 0 OC 0.0 9.7781147735479959 4.137937592140001 2.1089499999999997 41 0 OC 0.0 6.2810060619520005 2.0617929555849988 0 42 0 OC 0.0 15.331393938048006 4.1037070444150006 0 43 0 OC 0.0 4.5251939380480071 5.1445429555849982 0 44 0 OC 0.0 17.087206061951999 1.0209570444150009 0 45 0 OC 0.0 17.087206061951999 5.1445429555849982 2.1089499999999997 46 0 OC 0.0 4.5251939380480071 1.0209570444150011 2.1089499999999997 47 0 OC 0.0 15.331393938048006 2.0617929555849988 2.1089499999999997 48 0 OC 0.0 6.2810060619520005 4.1037070444150006 2.1089499999999997 49 0 OS 0.0 18.841120401011995 4.1012512024549999 0 50 0 OS 0.0 2.7712795989880092 2.0642487975449986 0 51 0 OS 0.0 13.577479598988008 1.0185012024550011 0 52 0 OS 0.0 8.0349204010119966 5.1469987975449989 0 53 0 OS 0.0 8.0349204010119966 1.0185012024550004 2.1089499999999997 54 0 OS 0.0 13.577479598988008 5.146998797544998 2.1089499999999997 55 0 OS 0.0 2.7712795989880092 4.1012512024550007 2.1089499999999997 56 0 OS 0.0 18.841120401011995 2.064248797544999 2.1089499999999997 57 0 OS 0.0 9.7781147735479959 2.0275624078599983 0 58 0 OS 0.0 11.834285226452007 4.137937592140001 0 59 0 OS 0.0 1.0280852264520082 5.1103124078599977 0 60 0 OS 0.0 20.584314773547995 1.0551875921400014 0 61 0 OS 0.0 20.584314773547995 5.1103124078599977 2.1089499999999997 62 0 OS 0.0 1.0280852264520082 1.0551875921400016 2.1089499999999997 63 0 OS 0.0 11.834285226452007 2.0275624078599983 2.1089499999999997 64 0 OS 0.0 9.7781147735479959 4.137937592140001 2.1089499999999997 65 0 OS 0.0 6.2810060619520005 2.0617929555849988 0 66 0 OS 0.0 15.331393938048006 4.1037070444150006 0 67 0 OS 0.0 4.5251939380480071 5.1445429555849982 0 68 0 OS 0.0 17.087206061951999 1.0209570444150009 0 69 0 OS 0.0 17.087206061951999 5.1445429555849982 2.1089499999999997 70 0 OS 0.0 4.5251939380480071 1.0209570444150011 2.1089499999999997 71 0 OS 0.0 15.331393938048006 2.0617929555849988 2.1089499999999997 72 0 OS 0.0 6.2810060619520005 4.1037070444150006 2.1089499999999997 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