LAMMPS Description 192 atoms 128 bonds 64 angles 0 dihedrals 0 impropers 2 atom types 1 bond types 1 angle types 0.0 13.8 xlo xhi 0.0 13.8 ylo yhi 0.0 13.8 zlo zhi Masses 1 15.9994 2 1.008 Atoms 1 1 1 -0.8476 0.0 0.0 0.0 2 1 2 0.4238 0.8164904 0.0 0.577359 3 1 2 0.4238 -0.8164904 0.0 0.577359 4 2 1 -0.8476 0.0 0.0 3.45 5 2 2 0.4238 0.8164904 0.0 4.027359 6 2 2 0.4238 -0.8164904 0.0 4.027359 7 3 1 -0.8476 0.0 0.0 6.9 8 3 2 0.4238 0.8164904 0.0 7.477359 9 3 2 0.4238 -0.8164904 0.0 7.477359 10 4 1 -0.8476 0.0 0.0 10.35 11 4 2 0.4238 0.8164904 0.0 10.927359 12 4 2 0.4238 -0.8164904 0.0 10.927359 13 5 1 -0.8476 0.0 3.45 0.0 14 5 2 0.4238 0.8164904 3.45 0.577359 15 5 2 0.4238 -0.8164904 3.45 0.577359 16 6 1 -0.8476 0.0 3.45 3.45 17 6 2 0.4238 0.8164904 3.45 4.027359 18 6 2 0.4238 -0.8164904 3.45 4.027359 19 7 1 -0.8476 0.0 3.45 6.9 20 7 2 0.4238 0.8164904 3.45 7.477359 21 7 2 0.4238 -0.8164904 3.45 7.477359 22 8 1 -0.8476 0.0 3.45 10.35 23 8 2 0.4238 0.8164904 3.45 10.927359 24 8 2 0.4238 -0.8164904 3.45 10.927359 25 9 1 -0.8476 0.0 6.9 0.0 26 9 2 0.4238 0.8164904 6.9 0.577359 27 9 2 0.4238 -0.8164904 6.9 0.577359 28 10 1 -0.8476 0.0 6.9 3.45 29 10 2 0.4238 0.8164904 6.9 4.027359 30 10 2 0.4238 -0.8164904 6.9 4.027359 31 11 1 -0.8476 0.0 6.9 6.9 32 11 2 0.4238 0.8164904 6.9 7.477359 33 11 2 0.4238 -0.8164904 6.9 7.477359 34 12 1 -0.8476 0.0 6.9 10.35 35 12 2 0.4238 0.8164904 6.9 10.927359 36 12 2 0.4238 -0.8164904 6.9 10.927359 37 13 1 -0.8476 0.0 10.35 0.0 38 13 2 0.4238 0.8164904 10.35 0.577359 39 13 2 0.4238 -0.8164904 10.35 0.577359 40 14 1 -0.8476 0.0 10.35 3.45 41 14 2 0.4238 0.8164904 10.35 4.027359 42 14 2 0.4238 -0.8164904 10.35 4.027359 43 15 1 -0.8476 0.0 10.35 6.9 44 15 2 0.4238 0.8164904 10.35 7.477359 45 15 2 0.4238 -0.8164904 10.35 7.477359 46 16 1 -0.8476 0.0 10.35 10.35 47 16 2 0.4238 0.8164904 10.35 10.927359 48 16 2 0.4238 -0.8164904 10.35 10.927359 49 17 1 -0.8476 3.45 0.0 0.0 50 17 2 0.4238 4.2664904 0.0 0.577359 51 17 2 0.4238 2.6335096 0.0 0.577359 52 18 1 -0.8476 3.45 0.0 3.45 53 18 2 0.4238 4.2664904 0.0 4.027359 54 18 2 0.4238 2.6335096 0.0 4.027359 55 19 1 -0.8476 3.45 0.0 6.9 56 19 2 0.4238 4.2664904 0.0 7.477359 57 19 2 0.4238 2.6335096 0.0 7.477359 58 20 1 -0.8476 3.45 0.0 10.35 59 20 2 0.4238 4.2664904 0.0 10.927359 60 20 2 0.4238 2.6335096 0.0 10.927359 61 21 1 -0.8476 3.45 3.45 0.0 62 21 2 0.4238 4.2664904 3.45 0.577359 63 21 2 0.4238 2.6335096 3.45 0.577359 64 22 1 -0.8476 3.45 3.45 3.45 65 22 2 0.4238 4.2664904 3.45 4.027359 66 22 2 0.4238 2.6335096 3.45 4.027359 67 23 1 -0.8476 3.45 3.45 6.9 68 23 2 0.4238 4.2664904 3.45 7.477359 69 23 2 0.4238 2.6335096 3.45 7.477359 70 24 1 -0.8476 3.45 3.45 10.35 71 24 2 0.4238 4.2664904 3.45 10.927359 72 24 2 0.4238 2.6335096 3.45 10.927359 73 25 1 -0.8476 3.45 6.9 0.0 74 25 2 0.4238 4.2664904 6.9 0.577359 75 25 2 0.4238 2.6335096 6.9 0.577359 76 26 1 -0.8476 3.45 6.9 3.45 77 26 2 0.4238 4.2664904 6.9 4.027359 78 26 2 0.4238 2.6335096 6.9 4.027359 79 27 1 -0.8476 3.45 6.9 6.9 80 27 2 0.4238 4.2664904 6.9 7.477359 81 27 2 0.4238 2.6335096 6.9 7.477359 82 28 1 -0.8476 3.45 6.9 10.35 83 28 2 0.4238 4.2664904 6.9 10.927359 84 28 2 0.4238 2.6335096 6.9 10.927359 85 29 1 -0.8476 3.45 10.35 0.0 86 29 2 0.4238 4.2664904 10.35 0.577359 87 29 2 0.4238 2.6335096 10.35 0.577359 88 30 1 -0.8476 3.45 10.35 3.45 89 30 2 0.4238 4.2664904 10.35 4.027359 90 30 2 0.4238 2.6335096 10.35 4.027359 91 31 1 -0.8476 3.45 10.35 6.9 92 31 2 0.4238 4.2664904 10.35 7.477359 93 31 2 0.4238 2.6335096 10.35 7.477359 94 32 1 -0.8476 3.45 10.35 10.35 95 32 2 0.4238 4.2664904 10.35 10.927359 96 32 2 0.4238 2.6335096 10.35 10.927359 97 33 1 -0.8476 6.9 0.0 0.0 98 33 2 0.4238 7.7164904 0.0 0.577359 99 33 2 0.4238 6.0835096 0.0 0.577359 100 34 1 -0.8476 6.9 0.0 3.45 101 34 2 0.4238 7.7164904 0.0 4.027359 102 34 2 0.4238 6.0835096 0.0 4.027359 103 35 1 -0.8476 6.9 0.0 6.9 104 35 2 0.4238 7.7164904 0.0 7.477359 105 35 2 0.4238 6.0835096 0.0 7.477359 106 36 1 -0.8476 6.9 0.0 10.35 107 36 2 0.4238 7.7164904 0.0 10.927359 108 36 2 0.4238 6.0835096 0.0 10.927359 109 37 1 -0.8476 6.9 3.45 0.0 110 37 2 0.4238 7.7164904 3.45 0.577359 111 37 2 0.4238 6.0835096 3.45 0.577359 112 38 1 -0.8476 6.9 3.45 3.45 113 38 2 0.4238 7.7164904 3.45 4.027359 114 38 2 0.4238 6.0835096 3.45 4.027359 115 39 1 -0.8476 6.9 3.45 6.9 116 39 2 0.4238 7.7164904 3.45 7.477359 117 39 2 0.4238 6.0835096 3.45 7.477359 118 40 1 -0.8476 6.9 3.45 10.35 119 40 2 0.4238 7.7164904 3.45 10.927359 120 40 2 0.4238 6.0835096 3.45 10.927359 121 41 1 -0.8476 6.9 6.9 0.0 122 41 2 0.4238 7.7164904 6.9 0.577359 123 41 2 0.4238 6.0835096 6.9 0.577359 124 42 1 -0.8476 6.9 6.9 3.45 125 42 2 0.4238 7.7164904 6.9 4.027359 126 42 2 0.4238 6.0835096 6.9 4.027359 127 43 1 -0.8476 6.9 6.9 6.9 128 43 2 0.4238 7.7164904 6.9 7.477359 129 43 2 0.4238 6.0835096 6.9 7.477359 130 44 1 -0.8476 6.9 6.9 10.35 131 44 2 0.4238 7.7164904 6.9 10.927359 132 44 2 0.4238 6.0835096 6.9 10.927359 133 45 1 -0.8476 6.9 10.35 0.0 134 45 2 0.4238 7.7164904 10.35 0.577359 135 45 2 0.4238 6.0835096 10.35 0.577359 136 46 1 -0.8476 6.9 10.35 3.45 137 46 2 0.4238 7.7164904 10.35 4.027359 138 46 2 0.4238 6.0835096 10.35 4.027359 139 47 1 -0.8476 6.9 10.35 6.9 140 47 2 0.4238 7.7164904 10.35 7.477359 141 47 2 0.4238 6.0835096 10.35 7.477359 142 48 1 -0.8476 6.9 10.35 10.35 143 48 2 0.4238 7.7164904 10.35 10.927359 144 48 2 0.4238 6.0835096 10.35 10.927359 145 49 1 -0.8476 10.35 0.0 0.0 146 49 2 0.4238 11.1664904 0.0 0.577359 147 49 2 0.4238 9.5335096 0.0 0.577359 148 50 1 -0.8476 10.35 0.0 3.45 149 50 2 0.4238 11.1664904 0.0 4.027359 150 50 2 0.4238 9.5335096 0.0 4.027359 151 51 1 -0.8476 10.35 0.0 6.9 152 51 2 0.4238 11.1664904 0.0 7.477359 153 51 2 0.4238 9.5335096 0.0 7.477359 154 52 1 -0.8476 10.35 0.0 10.35 155 52 2 0.4238 11.1664904 0.0 10.927359 156 52 2 0.4238 9.5335096 0.0 10.927359 157 53 1 -0.8476 10.35 3.45 0.0 158 53 2 0.4238 11.1664904 3.45 0.577359 159 53 2 0.4238 9.5335096 3.45 0.577359 160 54 1 -0.8476 10.35 3.45 3.45 161 54 2 0.4238 11.1664904 3.45 4.027359 162 54 2 0.4238 9.5335096 3.45 4.027359 163 55 1 -0.8476 10.35 3.45 6.9 164 55 2 0.4238 11.1664904 3.45 7.477359 165 55 2 0.4238 9.5335096 3.45 7.477359 166 56 1 -0.8476 10.35 3.45 10.35 167 56 2 0.4238 11.1664904 3.45 10.927359 168 56 2 0.4238 9.5335096 3.45 10.927359 169 57 1 -0.8476 10.35 6.9 0.0 170 57 2 0.4238 11.1664904 6.9 0.577359 171 57 2 0.4238 9.5335096 6.9 0.577359 172 58 1 -0.8476 10.35 6.9 3.45 173 58 2 0.4238 11.1664904 6.9 4.027359 174 58 2 0.4238 9.5335096 6.9 4.027359 175 59 1 -0.8476 10.35 6.9 6.9 176 59 2 0.4238 11.1664904 6.9 7.477359 177 59 2 0.4238 9.5335096 6.9 7.477359 178 60 1 -0.8476 10.35 6.9 10.35 179 60 2 0.4238 11.1664904 6.9 10.927359 180 60 2 0.4238 9.5335096 6.9 10.927359 181 61 1 -0.8476 10.35 10.35 0.0 182 61 2 0.4238 11.1664904 10.35 0.577359 183 61 2 0.4238 9.5335096 10.35 0.577359 184 62 1 -0.8476 10.35 10.35 3.45 185 62 2 0.4238 11.1664904 10.35 4.027359 186 62 2 0.4238 9.5335096 10.35 4.027359 187 63 1 -0.8476 10.35 10.35 6.9 188 63 2 0.4238 11.1664904 10.35 7.477359 189 63 2 0.4238 9.5335096 10.35 7.477359 190 64 1 -0.8476 10.35 10.35 10.35 191 64 2 0.4238 11.1664904 10.35 10.927359 192 64 2 0.4238 9.5335096 10.35 10.927359 Bonds 1 1 1 2 2 1 1 3 3 1 4 5 4 1 4 6 5 1 7 8 6 1 7 9 7 1 10 11 8 1 10 12 9 1 13 14 10 1 13 15 11 1 16 17 12 1 16 18 13 1 19 20 14 1 19 21 15 1 22 23 16 1 22 24 17 1 25 26 18 1 25 27 19 1 28 29 20 1 28 30 21 1 31 32 22 1 31 33 23 1 34 35 24 1 34 36 25 1 37 38 26 1 37 39 27 1 40 41 28 1 40 42 29 1 43 44 30 1 43 45 31 1 46 47 32 1 46 48 33 1 49 50 34 1 49 51 35 1 52 53 36 1 52 54 37 1 55 56 38 1 55 57 39 1 58 59 40 1 58 60 41 1 61 62 42 1 61 63 43 1 64 65 44 1 64 66 45 1 67 68 46 1 67 69 47 1 70 71 48 1 70 72 49 1 73 74 50 1 73 75 51 1 76 77 52 1 76 78 53 1 79 80 54 1 79 81 55 1 82 83 56 1 82 84 57 1 85 86 58 1 85 87 59 1 88 89 60 1 88 90 61 1 91 92 62 1 91 93 63 1 94 95 64 1 94 96 65 1 97 98 66 1 97 99 67 1 100 101 68 1 100 102 69 1 103 104 70 1 103 105 71 1 106 107 72 1 106 108 73 1 109 110 74 1 109 111 75 1 112 113 76 1 112 114 77 1 115 116 78 1 115 117 79 1 118 119 80 1 118 120 81 1 121 122 82 1 121 123 83 1 124 125 84 1 124 126 85 1 127 128 86 1 127 129 87 1 130 131 88 1 130 132 89 1 133 134 90 1 133 135 91 1 136 137 92 1 136 138 93 1 139 140 94 1 139 141 95 1 142 143 96 1 142 144 97 1 145 146 98 1 145 147 99 1 148 149 100 1 148 150 101 1 151 152 102 1 151 153 103 1 154 155 104 1 154 156 105 1 157 158 106 1 157 159 107 1 160 161 108 1 160 162 109 1 163 164 110 1 163 165 111 1 166 167 112 1 166 168 113 1 169 170 114 1 169 171 115 1 172 173 116 1 172 174 117 1 175 176 118 1 175 177 119 1 178 179 120 1 178 180 121 1 181 182 122 1 181 183 123 1 184 185 124 1 184 186 125 1 187 188 126 1 187 189 127 1 190 191 128 1 190 192 Angles 1 1 2 1 3 2 1 5 4 6 3 1 8 7 9 4 1 11 10 12 5 1 14 13 15 6 1 17 16 18 7 1 20 19 21 8 1 23 22 24 9 1 26 25 27 10 1 29 28 30 11 1 32 31 33 12 1 35 34 36 13 1 38 37 39 14 1 41 40 42 15 1 44 43 45 16 1 47 46 48 17 1 50 49 51 18 1 53 52 54 19 1 56 55 57 20 1 59 58 60 21 1 62 61 63 22 1 65 64 66 23 1 68 67 69 24 1 71 70 72 25 1 74 73 75 26 1 77 76 78 27 1 80 79 81 28 1 83 82 84 29 1 86 85 87 30 1 89 88 90 31 1 92 91 93 32 1 95 94 96 33 1 98 97 99 34 1 101 100 102 35 1 104 103 105 36 1 107 106 108 37 1 110 109 111 38 1 113 112 114 39 1 116 115 117 40 1 119 118 120 41 1 122 121 123 42 1 125 124 126 43 1 128 127 129 44 1 131 130 132 45 1 134 133 135 46 1 137 136 138 47 1 140 139 141 48 1 143 142 144 49 1 146 145 147 50 1 149 148 150 51 1 152 151 153 52 1 155 154 156 53 1 158 157 159 54 1 161 160 162 55 1 164 163 165 56 1 167 166 168 57 1 170 169 171 58 1 173 172 174 59 1 176 175 177 60 1 179 178 180 61 1 182 181 183 62 1 185 184 186 63 1 188 187 189 64 1 191 190 192