From 4bd0f5d3fdfedec6ed5aa966c2d08213555dba69 Mon Sep 17 00:00:00 2001 From: athomps Date: Thu, 9 Dec 2010 20:16:31 +0000 Subject: [PATCH] Added Cutoff.dic and bonds.reax git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@5388 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- tools/reax/Cutoff.dic | 14 + tools/reax/bonds.reax | 784 ++++++++++++++++++++++++++++++++++++++++++ 2 files changed, 798 insertions(+) create mode 100644 tools/reax/Cutoff.dic create mode 100644 tools/reax/bonds.reax diff --git a/tools/reax/Cutoff.dic b/tools/reax/Cutoff.dic new file mode 100644 index 0000000000..7c52b74468 --- /dev/null +++ b/tools/reax/Cutoff.dic @@ -0,0 +1,14 @@ +# Interesting name. This file contains +# the bond-order cut off for each +# pair of ReaxFF elements +C N 0.3 +C C 0.55 +C O 0.65 +C H 0.4 +O O 0.65 +N O 0.40 +O H 0.4 +H H 0.55 +H N 0.55 +N N 0.55 +# diff --git a/tools/reax/bonds.reax b/tools/reax/bonds.reax new file mode 100644 index 0000000000..4c7af471ba --- /dev/null +++ b/tools/reax/bonds.reax @@ -0,0 +1,784 @@ +# Timestep 0 +# +# Number of particles 384 +# +# Max.number of bonds per atom 3 with coarse bond order cutoff 0.300 +# Particle connection table and bond orders +# id type nb id_1...id_nb mol bo_1...bo_nb abo nlp q + 1 1 3 2 6 13 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 2 1 3 1 3 14 0 1.324 1.345 1.300 3.969 0.000 0.193 + 3 1 3 2 4 15 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 4 1 3 3 5 16 0 1.336 1.306 1.324 3.967 0.000 0.196 + 5 1 3 4 6 17 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 6 1 3 1 5 18 0 1.332 1.317 1.318 3.967 0.000 0.191 + 7 2 1 14 0 0.873 1.075 0.000 0.366 + 8 2 1 14 0 0.897 1.056 0.000 0.386 + 9 2 1 16 0 0.905 1.051 0.000 0.379 + 10 2 2 16 23 0 0.838 0.267 1.105 0.000 0.385 + 11 2 2 18 24 0 0.868 0.216 1.083 0.000 0.377 + 12 2 1 18 0 0.881 1.069 0.000 0.386 + 13 4 3 1 20 19 0 1.109 1.198 1.197 3.504 0.165 0.344 + 14 4 3 2 7 8 0 1.300 0.873 0.897 3.070 0.966 -0.469 + 15 4 3 3 21 22 0 1.083 1.211 1.214 3.508 0.160 0.371 + 16 4 3 4 9 10 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 17 4 3 5 23 24 0 1.143 1.171 1.190 3.504 0.165 0.341 + 18 4 3 6 11 12 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 19 3 1 13 0 1.197 1.393 2.000 -0.381 + 20 3 1 13 0 1.198 1.407 2.000 -0.413 + 21 3 1 15 0 1.211 1.378 2.000 -0.375 + 22 3 1 15 0 1.214 1.368 2.000 -0.399 + 23 3 2 10 17 0 0.267 1.171 1.446 2.000 -0.388 + 24 3 2 11 17 0 0.216 1.190 1.413 2.000 -0.411 + 25 1 3 30 26 37 0 1.332 1.324 1.109 3.767 0.000 -0.073 + 26 1 3 25 27 38 0 1.324 1.345 1.300 3.969 0.000 0.193 + 27 1 3 26 28 39 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 28 1 3 27 29 40 0 1.336 1.306 1.324 3.967 0.000 0.196 + 29 1 3 28 30 41 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 30 1 3 25 29 42 0 1.332 1.317 1.318 3.967 0.000 0.191 + 31 2 1 38 0 0.873 1.075 0.000 0.366 + 32 2 1 38 0 0.897 1.056 0.000 0.386 + 33 2 1 40 0 0.905 1.051 0.000 0.379 + 34 2 2 47 40 0 0.267 0.838 1.105 0.000 0.385 + 35 2 2 42 48 0 0.868 0.216 1.083 0.000 0.377 + 36 2 1 42 0 0.881 1.069 0.000 0.386 + 37 4 3 25 43 44 0 1.109 1.197 1.198 3.504 0.165 0.344 + 38 4 3 26 32 31 0 1.300 0.897 0.873 3.070 0.966 -0.469 + 39 4 3 27 45 46 0 1.083 1.211 1.214 3.508 0.160 0.371 + 40 4 3 28 33 34 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 41 4 3 29 47 48 0 1.143 1.171 1.190 3.504 0.165 0.341 + 42 4 3 30 35 36 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 43 3 1 37 0 1.197 1.393 2.000 -0.381 + 44 3 1 37 0 1.198 1.407 2.000 -0.413 + 45 3 1 39 0 1.211 1.378 2.000 -0.375 + 46 3 1 39 0 1.214 1.368 2.000 -0.399 + 47 3 2 34 41 0 0.267 1.171 1.446 2.000 -0.388 + 48 3 2 35 41 0 0.216 1.190 1.413 2.000 -0.411 + 49 1 3 50 54 61 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 50 1 3 49 51 62 0 1.324 1.345 1.300 3.969 0.000 0.193 + 51 1 3 50 52 63 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 52 1 3 51 53 64 0 1.336 1.306 1.324 3.967 0.000 0.196 + 53 1 3 52 54 65 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 54 1 3 49 53 66 0 1.332 1.317 1.318 3.967 0.000 0.191 + 55 2 1 62 0 0.873 1.075 0.000 0.366 + 56 2 1 62 0 0.897 1.056 0.000 0.386 + 57 2 1 64 0 0.905 1.051 0.000 0.379 + 58 2 2 64 71 0 0.838 0.267 1.105 0.000 0.385 + 59 2 2 66 72 0 0.868 0.216 1.083 0.000 0.377 + 60 2 1 66 0 0.881 1.069 0.000 0.386 + 62 4 3 50 55 56 0 1.300 0.873 0.897 3.070 0.966 -0.469 + 63 4 3 51 69 70 0 1.083 1.211 1.214 3.508 0.160 0.371 + 64 4 3 52 57 58 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 65 4 3 53 71 72 0 1.143 1.171 1.190 3.504 0.165 0.341 + 66 4 3 54 59 60 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 69 3 1 63 0 1.211 1.378 2.000 -0.375 + 70 3 1 63 0 1.214 1.368 2.000 -0.399 + 71 3 2 58 65 0 0.267 1.171 1.446 2.000 -0.388 + 72 3 2 59 65 0 0.216 1.190 1.413 2.000 -0.411 + 73 1 3 78 74 85 0 1.332 1.324 1.109 3.767 0.000 -0.073 + 74 1 3 73 75 86 0 1.324 1.345 1.300 3.969 0.000 0.193 + 75 1 3 74 76 87 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 76 1 3 75 77 88 0 1.336 1.306 1.324 3.967 0.000 0.196 + 77 1 3 76 78 89 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 78 1 3 73 77 90 0 1.332 1.317 1.318 3.967 0.000 0.191 + 79 2 1 86 0 0.873 1.075 0.000 0.366 + 80 2 1 86 0 0.897 1.056 0.000 0.386 + 81 2 1 88 0 0.905 1.051 0.000 0.379 + 82 2 2 95 88 0 0.267 0.838 1.105 0.000 0.385 + 83 2 2 90 96 0 0.868 0.216 1.083 0.000 0.377 + 84 2 1 90 0 0.881 1.069 0.000 0.386 + 85 4 3 73 91 92 0 1.109 1.197 1.198 3.504 0.165 0.344 + 86 4 3 74 80 79 0 1.300 0.897 0.873 3.070 0.966 -0.469 + 87 4 3 75 93 94 0 1.083 1.211 1.214 3.508 0.160 0.371 + 88 4 3 76 81 82 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 89 4 3 77 95 96 0 1.143 1.171 1.190 3.504 0.165 0.341 + 90 4 3 78 83 84 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 91 3 1 85 0 1.197 1.393 2.000 -0.381 + 92 3 1 85 0 1.198 1.407 2.000 -0.413 + 93 3 1 87 0 1.211 1.378 2.000 -0.375 + 94 3 1 87 0 1.214 1.368 2.000 -0.399 + 95 3 2 82 89 0 0.267 1.171 1.446 2.000 -0.388 + 96 3 2 83 89 0 0.216 1.190 1.413 2.000 -0.411 + 97 1 3 98 102 109 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 98 1 3 97 99 110 0 1.324 1.345 1.300 3.969 0.000 0.193 + 99 1 3 98 100 111 0 1.345 1.337 1.083 3.767 0.000 -0.060 + 100 1 3 99 101 112 0 1.337 1.306 1.324 3.967 0.000 0.196 + 101 1 3 100 113 102 0 1.306 1.143 1.317 3.769 0.000 -0.063 + 102 1 3 97 101 114 0 1.332 1.317 1.318 3.967 0.000 0.191 + 103 2 1 110 0 0.873 1.075 0.000 0.366 + 104 2 1 110 0 0.897 1.056 0.000 0.386 + 105 2 1 112 0 0.905 1.051 0.000 0.379 + 106 2 2 119 112 0 0.267 0.838 1.105 0.000 0.385 + 107 2 2 114 120 0 0.868 0.216 1.083 0.000 0.377 + 108 2 1 114 0 0.881 1.069 0.000 0.386 + 109 4 3 116 97 115 0 1.198 1.109 1.197 3.504 0.165 0.344 + 110 4 3 103 104 98 0 0.873 0.897 1.300 3.070 0.966 -0.469 + 111 4 3 99 117 118 0 1.083 1.211 1.214 3.508 0.160 0.371 + 112 4 3 100 105 106 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 113 4 3 101 119 120 0 1.143 1.171 1.190 3.504 0.165 0.341 + 114 4 3 102 107 108 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 115 3 1 109 0 1.197 1.393 2.000 -0.381 + 116 3 1 109 0 1.198 1.407 2.000 -0.413 + 117 3 1 111 0 1.211 1.378 2.000 -0.375 + 118 3 1 111 0 1.214 1.368 2.000 -0.399 + 119 3 2 106 113 0 0.267 1.171 1.446 2.000 -0.388 + 120 3 2 107 113 0 0.216 1.190 1.413 2.000 -0.411 + 121 1 3 126 122 133 0 1.332 1.324 1.109 3.767 0.000 -0.073 + 122 1 3 121 123 134 0 1.324 1.345 1.300 3.969 0.000 0.193 + 123 1 3 122 124 135 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 124 1 3 123 125 136 0 1.336 1.306 1.324 3.967 0.000 0.196 + 125 1 3 124 126 137 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 126 1 3 121 125 138 0 1.332 1.317 1.318 3.967 0.000 0.191 + 127 2 1 134 0 0.873 1.075 0.000 0.366 + 128 2 1 134 0 0.897 1.056 0.000 0.386 + 129 2 1 136 0 0.905 1.051 0.000 0.379 + 130 2 2 143 136 0 0.267 0.838 1.105 0.000 0.385 + 131 2 2 138 144 0 0.868 0.216 1.083 0.000 0.377 + 132 2 1 138 0 0.881 1.069 0.000 0.386 + 133 4 3 121 139 140 0 1.109 1.197 1.198 3.504 0.165 0.344 + 134 4 3 122 127 128 0 1.300 0.873 0.897 3.070 0.966 -0.469 + 135 4 3 123 141 142 0 1.083 1.211 1.214 3.508 0.160 0.371 + 136 4 3 124 129 130 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 137 4 3 125 143 144 0 1.143 1.171 1.190 3.504 0.165 0.341 + 138 4 3 126 131 132 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 139 3 1 133 0 1.197 1.393 2.000 -0.381 + 140 3 1 133 0 1.198 1.407 2.000 -0.413 + 141 3 1 135 0 1.211 1.378 2.000 -0.375 + 142 3 1 135 0 1.214 1.368 2.000 -0.399 + 143 3 2 130 137 0 0.267 1.171 1.446 2.000 -0.388 + 144 3 2 131 137 0 0.216 1.190 1.413 2.000 -0.411 + 145 1 3 146 150 157 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 146 1 3 145 147 158 0 1.324 1.345 1.300 3.969 0.000 0.193 + 147 1 3 146 148 159 0 1.345 1.337 1.083 3.767 0.000 -0.060 + 148 1 3 147 149 160 0 1.337 1.306 1.324 3.967 0.000 0.196 + 149 1 3 148 161 150 0 1.306 1.143 1.317 3.769 0.000 -0.063 + 150 1 3 145 149 162 0 1.332 1.317 1.318 3.967 0.000 0.191 + 151 2 1 158 0 0.873 1.075 0.000 0.366 + 152 2 1 158 0 0.897 1.056 0.000 0.386 + 153 2 1 160 0 0.905 1.051 0.000 0.379 + 154 2 2 167 160 0 0.267 0.838 1.105 0.000 0.385 + 155 2 2 168 162 0 0.216 0.868 1.083 0.000 0.377 + 156 2 1 162 0 0.881 1.069 0.000 0.386 + 158 4 3 151 152 146 0 0.873 0.897 1.300 3.070 0.966 -0.469 + 159 4 3 147 165 166 0 1.083 1.211 1.214 3.508 0.160 0.371 + 160 4 3 148 153 154 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 161 4 3 149 167 168 0 1.143 1.171 1.190 3.504 0.165 0.341 + 162 4 3 150 155 156 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 165 3 1 159 0 1.211 1.378 2.000 -0.375 + 166 3 1 159 0 1.214 1.368 2.000 -0.399 + 167 3 2 154 161 0 0.267 1.171 1.446 2.000 -0.388 + 168 3 2 155 161 0 0.216 1.190 1.413 2.000 -0.411 + 169 1 3 174 170 181 0 1.332 1.324 1.109 3.767 0.000 -0.073 + 170 1 3 169 171 182 0 1.324 1.345 1.300 3.969 0.000 0.193 + 171 1 3 170 172 183 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 172 1 3 171 173 184 0 1.336 1.306 1.324 3.967 0.000 0.196 + 173 1 3 172 174 185 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 174 1 3 169 173 186 0 1.332 1.317 1.318 3.967 0.000 0.191 + 175 2 1 182 0 0.873 1.075 0.000 0.366 + 176 2 1 182 0 0.897 1.056 0.000 0.386 + 177 2 1 184 0 0.905 1.051 0.000 0.379 + 178 2 2 191 184 0 0.267 0.838 1.105 0.000 0.385 + 179 2 2 186 192 0 0.868 0.216 1.083 0.000 0.377 + 180 2 1 186 0 0.881 1.069 0.000 0.386 + 181 4 3 169 187 188 0 1.109 1.197 1.198 3.504 0.165 0.344 + 182 4 3 170 175 176 0 1.300 0.873 0.897 3.070 0.966 -0.469 + 183 4 3 171 189 190 0 1.083 1.211 1.214 3.508 0.160 0.371 + 184 4 3 172 177 178 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 185 4 3 173 191 192 0 1.143 1.171 1.190 3.504 0.165 0.341 + 186 4 3 174 179 180 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 187 3 1 181 0 1.197 1.393 2.000 -0.381 + 188 3 1 181 0 1.198 1.407 2.000 -0.413 + 189 3 1 183 0 1.211 1.378 2.000 -0.375 + 190 3 1 183 0 1.214 1.368 2.000 -0.399 + 191 3 2 178 185 0 0.267 1.171 1.446 2.000 -0.388 + 192 3 2 179 185 0 0.216 1.190 1.413 2.000 -0.411 + 193 1 3 194 198 205 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 194 1 3 193 195 206 0 1.324 1.345 1.300 3.969 0.000 0.193 + 195 1 3 194 196 207 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 196 1 3 195 197 208 0 1.336 1.306 1.324 3.967 0.000 0.196 + 197 1 3 196 198 209 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 198 1 3 193 197 210 0 1.332 1.317 1.318 3.967 0.000 0.191 + 199 2 1 206 0 0.873 1.075 0.000 0.366 + 200 2 1 206 0 0.897 1.056 0.000 0.386 + 201 2 1 208 0 0.905 1.051 0.000 0.379 + 202 2 2 208 215 0 0.838 0.267 1.105 0.000 0.385 + 203 2 2 210 216 0 0.868 0.216 1.083 0.000 0.377 + 204 2 1 210 0 0.881 1.069 0.000 0.386 + 205 4 3 212 193 211 0 1.198 1.109 1.197 3.504 0.165 0.344 + 206 4 3 199 200 194 0 0.873 0.897 1.300 3.070 0.966 -0.469 + 207 4 3 195 213 214 0 1.083 1.211 1.214 3.508 0.160 0.371 + 208 4 3 196 201 202 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 209 4 3 197 215 216 0 1.143 1.171 1.190 3.504 0.165 0.341 + 210 4 3 198 203 204 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 211 3 1 205 0 1.197 1.393 2.000 -0.381 + 212 3 1 205 0 1.198 1.407 2.000 -0.413 + 213 3 1 207 0 1.211 1.378 2.000 -0.375 + 214 3 1 207 0 1.214 1.368 2.000 -0.399 + 215 3 2 202 209 0 0.267 1.171 1.446 2.000 -0.388 + 216 3 2 203 209 0 0.216 1.190 1.413 2.000 -0.411 + 217 1 3 218 222 229 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 218 1 3 217 219 230 0 1.324 1.345 1.300 3.969 0.000 0.193 + 219 1 3 218 220 231 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 220 1 3 219 221 232 0 1.336 1.306 1.324 3.967 0.000 0.196 + 221 1 3 220 222 233 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 222 1 3 217 221 234 0 1.332 1.317 1.318 3.967 0.000 0.191 + 223 2 1 230 0 0.873 1.075 0.000 0.366 + 224 2 1 230 0 0.897 1.056 0.000 0.386 + 225 2 1 232 0 0.905 1.051 0.000 0.379 + 226 2 2 239 232 0 0.267 0.838 1.105 0.000 0.385 + 227 2 2 234 240 0 0.868 0.216 1.083 0.000 0.377 + 228 2 1 234 0 0.881 1.069 0.000 0.386 + 229 4 3 217 235 236 0 1.109 1.197 1.198 3.504 0.165 0.344 + 230 4 3 218 223 224 0 1.300 0.873 0.897 3.070 0.966 -0.469 + 231 4 3 219 237 238 0 1.083 1.211 1.214 3.508 0.160 0.371 + 232 4 3 225 226 220 0 0.905 0.838 1.324 3.068 0.968 -0.443 + 233 4 3 221 239 240 0 1.143 1.171 1.190 3.504 0.165 0.341 + 234 4 3 222 227 228 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 235 3 1 229 0 1.197 1.393 2.000 -0.381 + 236 3 1 229 0 1.198 1.407 2.000 -0.413 + 237 3 1 231 0 1.211 1.378 2.000 -0.375 + 238 3 1 231 0 1.214 1.368 2.000 -0.399 + 239 3 2 233 226 0 1.171 0.267 1.446 2.000 -0.388 + 240 3 2 227 233 0 0.216 1.190 1.413 2.000 -0.411 + 241 1 3 242 246 253 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 242 1 3 241 243 254 0 1.324 1.345 1.300 3.969 0.000 0.193 + 243 1 3 242 244 255 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 244 1 3 243 245 256 0 1.336 1.306 1.324 3.967 0.000 0.196 + 245 1 3 244 246 257 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 246 1 3 241 245 258 0 1.332 1.317 1.318 3.967 0.000 0.191 + 247 2 1 254 0 0.873 1.075 0.000 0.366 + 248 2 1 254 0 0.897 1.056 0.000 0.386 + 249 2 1 256 0 0.905 1.051 0.000 0.379 + 250 2 2 256 263 0 0.838 0.267 1.105 0.000 0.385 + 251 2 2 258 264 0 0.868 0.216 1.083 0.000 0.377 + 252 2 1 258 0 0.881 1.069 0.000 0.386 + 254 4 3 247 248 242 0 0.873 0.897 1.300 3.070 0.966 -0.469 + 255 4 3 243 261 262 0 1.083 1.211 1.214 3.508 0.160 0.371 + 256 4 3 244 249 250 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 257 4 3 245 263 264 0 1.143 1.171 1.190 3.504 0.165 0.341 + 258 4 3 246 251 252 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 261 3 1 255 0 1.211 1.378 2.000 -0.375 + 262 3 1 255 0 1.214 1.368 2.000 -0.399 + 263 3 2 250 257 0 0.267 1.171 1.446 2.000 -0.388 + 264 3 2 251 257 0 0.216 1.190 1.413 2.000 -0.411 + 265 1 3 266 270 277 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 266 1 3 265 267 278 0 1.324 1.345 1.300 3.969 0.000 0.193 + 267 1 3 266 268 279 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 268 1 3 267 269 280 0 1.336 1.306 1.324 3.967 0.000 0.196 + 269 1 3 268 270 281 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 270 1 3 265 269 282 0 1.332 1.317 1.318 3.967 0.000 0.191 + 271 2 1 278 0 0.873 1.075 0.000 0.366 + 272 2 1 278 0 0.897 1.056 0.000 0.386 + 273 2 1 280 0 0.905 1.051 0.000 0.379 + 274 2 2 287 280 0 0.267 0.838 1.105 0.000 0.385 + 275 2 2 282 288 0 0.868 0.216 1.083 0.000 0.377 + 276 2 1 282 0 0.881 1.069 0.000 0.386 + 277 4 3 265 283 284 0 1.109 1.197 1.198 3.504 0.165 0.344 + 278 4 3 266 271 272 0 1.300 0.873 0.897 3.070 0.966 -0.469 + 279 4 3 267 285 286 0 1.083 1.211 1.214 3.508 0.160 0.371 + 280 4 3 273 274 268 0 0.905 0.838 1.324 3.068 0.968 -0.443 + 281 4 3 269 287 288 0 1.143 1.171 1.190 3.504 0.165 0.341 + 282 4 3 270 275 276 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 283 3 1 277 0 1.197 1.393 2.000 -0.381 + 284 3 1 277 0 1.198 1.407 2.000 -0.413 + 285 3 1 279 0 1.211 1.378 2.000 -0.375 + 286 3 1 279 0 1.214 1.368 2.000 -0.399 + 287 3 2 281 274 0 1.171 0.267 1.446 2.000 -0.388 + 288 3 2 275 281 0 0.216 1.190 1.413 2.000 -0.411 + 289 1 3 290 294 301 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 290 1 3 289 291 302 0 1.324 1.345 1.300 3.969 0.000 0.193 + 291 1 3 290 303 292 0 1.345 1.083 1.337 3.767 0.000 -0.060 + 292 1 3 291 293 304 0 1.337 1.306 1.324 3.967 0.000 0.196 + 293 1 3 292 294 305 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 294 1 3 289 293 306 0 1.332 1.317 1.318 3.967 0.000 0.191 + 295 2 1 302 0 0.873 1.075 0.000 0.366 + 296 2 1 302 0 0.897 1.056 0.000 0.386 + 297 2 1 304 0 0.905 1.051 0.000 0.379 + 298 2 2 311 304 0 0.267 0.838 1.105 0.000 0.385 + 299 2 2 312 306 0 0.216 0.868 1.083 0.000 0.377 + 300 2 1 306 0 0.881 1.069 0.000 0.386 + 301 4 3 289 308 307 0 1.109 1.198 1.197 3.504 0.165 0.344 + 302 4 3 290 295 296 0 1.300 0.873 0.897 3.070 0.966 -0.469 + 303 4 3 291 309 310 0 1.083 1.211 1.214 3.508 0.160 0.371 + 304 4 3 292 297 298 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 305 4 3 293 311 312 0 1.143 1.171 1.190 3.504 0.165 0.341 + 306 4 3 294 299 300 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 307 3 1 301 0 1.197 1.393 2.000 -0.381 + 308 3 1 301 0 1.198 1.407 2.000 -0.413 + 309 3 1 303 0 1.211 1.378 2.000 -0.375 + 310 3 1 303 0 1.214 1.368 2.000 -0.399 + 311 3 2 298 305 0 0.267 1.171 1.446 2.000 -0.388 + 312 3 2 299 305 0 0.216 1.190 1.413 2.000 -0.411 + 313 1 3 314 318 325 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 314 1 3 313 315 326 0 1.324 1.345 1.300 3.969 0.000 0.193 + 315 1 3 314 316 327 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 316 1 3 315 317 328 0 1.336 1.306 1.324 3.967 0.000 0.196 + 317 1 3 316 318 329 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 318 1 3 313 317 330 0 1.332 1.317 1.318 3.967 0.000 0.191 + 319 2 1 326 0 0.873 1.075 0.000 0.366 + 320 2 1 326 0 0.897 1.056 0.000 0.386 + 321 2 1 328 0 0.905 1.051 0.000 0.379 + 322 2 2 335 328 0 0.267 0.838 1.105 0.000 0.385 + 323 2 2 330 336 0 0.868 0.216 1.083 0.000 0.377 + 324 2 1 330 0 0.881 1.069 0.000 0.386 + 325 4 3 313 331 332 0 1.109 1.197 1.198 3.504 0.165 0.344 + 326 4 3 314 320 319 0 1.300 0.897 0.873 3.070 0.966 -0.469 + 327 4 3 315 333 334 0 1.083 1.211 1.214 3.508 0.160 0.371 + 328 4 3 321 322 316 0 0.905 0.838 1.324 3.068 0.968 -0.443 + 329 4 3 317 335 336 0 1.143 1.171 1.190 3.504 0.165 0.341 + 330 4 3 318 323 324 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 331 3 1 325 0 1.197 1.393 2.000 -0.381 + 332 3 1 325 0 1.198 1.407 2.000 -0.413 + 333 3 1 327 0 1.211 1.378 2.000 -0.375 + 334 3 1 327 0 1.214 1.368 2.000 -0.399 + 335 3 2 329 322 0 1.171 0.267 1.446 2.000 -0.388 + 336 3 2 323 329 0 0.216 1.190 1.413 2.000 -0.411 + 337 1 3 338 342 349 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 338 1 3 337 339 350 0 1.324 1.345 1.300 3.969 0.000 0.193 + 339 1 3 338 351 340 0 1.345 1.083 1.337 3.767 0.000 -0.060 + 340 1 3 339 341 352 0 1.337 1.306 1.324 3.967 0.000 0.196 + 341 1 3 340 342 353 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 342 1 3 337 341 354 0 1.332 1.317 1.318 3.967 0.000 0.191 + 343 2 1 350 0 0.873 1.075 0.000 0.366 + 344 2 1 350 0 0.897 1.056 0.000 0.386 + 345 2 1 352 0 0.905 1.051 0.000 0.379 + 346 2 2 352 359 0 0.838 0.267 1.105 0.000 0.385 + 347 2 2 360 354 0 0.216 0.868 1.083 0.000 0.377 + 348 2 1 354 0 0.881 1.069 0.000 0.386 + 350 4 3 338 343 344 0 1.300 0.873 0.897 3.070 0.966 -0.469 + 351 4 3 339 357 358 0 1.083 1.211 1.214 3.508 0.160 0.371 + 352 4 3 340 345 346 0 1.324 0.905 0.838 3.068 0.968 -0.443 + 353 4 3 341 360 359 0 1.143 1.190 1.171 3.504 0.165 0.341 + 354 4 3 342 347 348 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 357 3 1 351 0 1.211 1.378 2.000 -0.375 + 358 3 1 351 0 1.214 1.368 2.000 -0.399 + 359 3 2 346 353 0 0.267 1.171 1.446 2.000 -0.388 + 360 3 2 347 353 0 0.216 1.190 1.413 2.000 -0.411 + 361 1 3 362 366 373 0 1.324 1.332 1.109 3.767 0.000 -0.073 + 362 1 3 361 363 374 0 1.324 1.345 1.300 3.969 0.000 0.193 + 363 1 3 362 364 375 0 1.345 1.336 1.083 3.767 0.000 -0.060 + 364 1 3 363 365 376 0 1.336 1.306 1.324 3.967 0.000 0.196 + 365 1 3 364 366 377 0 1.306 1.317 1.143 3.769 0.000 -0.063 + 366 1 3 361 365 378 0 1.332 1.317 1.318 3.967 0.000 0.191 + 367 2 1 374 0 0.873 1.075 0.000 0.366 + 368 2 1 374 0 0.897 1.056 0.000 0.386 + 369 2 1 376 0 0.905 1.051 0.000 0.379 + 370 2 2 383 376 0 0.267 0.838 1.105 0.000 0.385 + 371 2 2 378 384 0 0.868 0.216 1.083 0.000 0.377 + 372 2 1 378 0 0.881 1.069 0.000 0.386 + 373 4 3 361 379 380 0 1.109 1.197 1.198 3.504 0.165 0.344 + 374 4 3 362 368 367 0 1.300 0.897 0.873 3.070 0.966 -0.469 + 375 4 3 363 381 382 0 1.083 1.211 1.214 3.508 0.160 0.371 + 376 4 3 369 370 364 0 0.905 0.838 1.324 3.068 0.968 -0.443 + 377 4 3 365 383 384 0 1.143 1.171 1.190 3.504 0.165 0.341 + 378 4 3 366 371 372 0 1.318 0.868 0.881 3.067 0.969 -0.438 + 379 3 1 373 0 1.197 1.393 2.000 -0.381 + 380 3 1 373 0 1.198 1.407 2.000 -0.413 + 381 3 1 375 0 1.211 1.378 2.000 -0.375 + 382 3 1 375 0 1.214 1.368 2.000 -0.399 + 383 3 2 377 370 0 1.171 0.267 1.446 2.000 -0.388 + 384 3 2 371 377 0 0.216 1.190 1.413 2.000 -0.411 + 61 4 3 49 68 67 0 1.109 1.198 1.197 3.504 0.165 0.344 + 67 3 1 61 0 1.197 1.393 2.000 -0.381 + 68 3 1 61 0 1.198 1.407 2.000 -0.413 + 157 4 3 164 145 163 0 1.198 1.109 1.197 3.504 0.165 0.344 + 163 3 1 157 0 1.197 1.393 2.000 -0.381 + 164 3 1 157 0 1.198 1.407 2.000 -0.413 + 253 4 3 260 241 259 0 1.198 1.109 1.197 3.504 0.165 0.344 + 259 3 1 253 0 1.197 1.393 2.000 -0.381 + 260 3 1 253 0 1.198 1.407 2.000 -0.413 + 349 4 3 337 356 355 0 1.109 1.198 1.197 3.504 0.165 0.344 + 355 3 1 349 0 1.197 1.393 2.000 -0.381 + 356 3 1 349 0 1.198 1.407 2.000 -0.413 +# +# Timestep 25 +# +# Number of particles 384 +# +# Max.number of bonds per atom 3 with coarse bond order cutoff 0.300 +# Particle connection table and bond orders +# id type nb id_1...id_nb mol bo_1...bo_nb abo nlp q + 1 1 3 2 6 13 0 1.321 1.328 1.129 3.783 0.000 -0.075 + 2 1 3 1 3 14 0 1.321 1.341 1.325 3.987 0.000 0.190 + 3 1 3 2 4 15 0 1.341 1.333 1.103 3.783 0.000 -0.063 + 4 1 3 3 5 16 0 1.333 1.303 1.350 3.985 0.000 0.194 + 5 1 3 4 6 17 0 1.303 1.313 1.161 3.784 0.000 -0.066 + 6 1 3 1 5 18 0 1.328 1.313 1.344 3.985 0.000 0.188 + 7 2 2 14 20 0 0.855 0.269 1.123 0.000 0.366 + 8 2 2 14 21 0 0.878 0.236 1.114 0.000 0.387 + 9 2 2 16 22 0 0.885 0.232 1.116 0.000 0.380 + 10 2 2 16 23 0 0.827 0.291 1.118 0.000 0.385 + 11 2 2 18 24 0 0.852 0.273 1.124 0.000 0.377 + 12 2 2 18 19 0 0.862 0.262 1.125 0.000 0.387 + 13 4 3 1 20 19 0 1.129 1.232 1.231 3.591 0.083 0.362 + 14 4 3 2 7 8 0 1.325 0.855 0.878 3.058 0.977 -0.457 + 15 4 3 3 21 22 0 1.103 1.245 1.247 3.595 0.081 0.390 + 16 4 3 4 9 10 0 1.350 0.885 0.827 3.061 0.974 -0.433 + 17 4 3 5 23 24 0 1.161 1.206 1.224 3.591 0.084 0.359 + 18 4 3 6 11 12 0 1.344 0.852 0.862 3.058 0.977 -0.427 + 19 3 2 12 13 0 0.262 1.231 1.504 2.000 -0.395 + 20 3 2 7 13 0 0.269 1.232 1.511 2.000 -0.426 + 21 3 2 8 15 0 0.236 1.245 1.491 2.000 -0.389 + 22 3 2 9 15 0 0.232 1.247 1.489 2.000 -0.415 + 23 3 2 10 17 0 0.291 1.206 1.508 2.000 -0.397 + 24 3 2 11 17 0 0.273 1.224 1.507 2.000 -0.422 + 25 1 3 30 26 37 0 1.328 1.321 1.129 3.783 0.000 -0.075 + 26 1 3 25 27 38 0 1.321 1.341 1.325 3.987 0.000 0.190 + 27 1 3 26 28 39 0 1.341 1.333 1.103 3.783 0.000 -0.063 + 28 1 3 27 29 40 0 1.333 1.303 1.350 3.985 0.000 0.194 + 29 1 3 28 30 41 0 1.303 1.313 1.161 3.784 0.000 -0.066 + 30 1 3 25 29 42 0 1.328 1.313 1.344 3.985 0.000 0.188 + 31 2 2 44 38 0 0.269 0.855 1.123 0.000 0.366 + 32 2 2 38 45 0 0.878 0.236 1.114 0.000 0.387 + 33 2 2 40 46 0 0.885 0.232 1.116 0.000 0.380 + 34 2 2 47 40 0 0.291 0.827 1.118 0.000 0.385 + 35 2 2 42 48 0 0.852 0.273 1.124 0.000 0.377 + 36 2 2 42 43 0 0.862 0.262 1.125 0.000 0.387 + 37 4 3 25 43 44 0 1.129 1.231 1.232 3.591 0.083 0.362 + 38 4 3 26 32 31 0 1.325 0.878 0.855 3.058 0.977 -0.457 + 39 4 3 27 45 46 0 1.103 1.245 1.247 3.595 0.081 0.390 + 40 4 3 28 33 34 0 1.350 0.885 0.827 3.061 0.974 -0.433 + 41 4 3 29 47 48 0 1.161 1.206 1.224 3.591 0.084 0.359 + 42 4 3 30 35 36 0 1.344 0.852 0.862 3.058 0.977 -0.427 + 43 3 2 36 37 0 0.262 1.231 1.504 2.000 -0.395 + 44 3 2 31 37 0 0.269 1.232 1.511 2.000 -0.426 + 45 3 2 32 39 0 0.236 1.245 1.491 2.000 -0.389 + 46 3 2 33 39 0 0.232 1.247 1.489 2.000 -0.415 + 47 3 2 34 41 0 0.291 1.206 1.508 2.000 -0.397 + 48 3 2 35 41 0 0.273 1.224 1.507 2.000 -0.422 + 49 1 3 50 54 61 0 1.321 1.328 1.129 3.783 0.000 -0.075 + 50 1 3 49 51 62 0 1.321 1.341 1.325 3.987 0.000 0.190 + 51 1 3 50 52 63 0 1.341 1.333 1.103 3.783 0.000 -0.063 + 52 1 3 51 53 64 0 1.333 1.303 1.350 3.985 0.000 0.194 + 53 1 3 52 54 65 0 1.303 1.313 1.161 3.784 0.000 -0.066 + 54 1 3 49 53 66 0 1.328 1.313 1.344 3.985 0.000 0.188 + 55 2 2 62 68 0 0.855 0.269 1.123 0.000 0.366 + 56 2 2 62 69 0 0.878 0.236 1.114 0.000 0.387 + 57 2 2 64 70 0 0.885 0.232 1.116 0.000 0.380 + 58 2 2 64 71 0 0.827 0.291 1.118 0.000 0.385 + 59 2 2 66 72 0 0.852 0.273 1.124 0.000 0.377 + 60 2 2 66 67 0 0.862 0.262 1.125 0.000 0.387 + 62 4 3 50 55 56 0 1.325 0.855 0.878 3.058 0.977 -0.457 + 63 4 3 51 69 70 0 1.103 1.245 1.247 3.595 0.081 0.390 + 64 4 3 52 57 58 0 1.350 0.885 0.827 3.061 0.974 -0.433 + 65 4 3 53 71 72 0 1.161 1.206 1.224 3.591 0.084 0.359 + 66 4 3 54 59 60 0 1.344 0.852 0.862 3.058 0.977 -0.427 + 69 3 2 56 63 0 0.236 1.245 1.491 2.000 -0.389 + 70 3 2 57 63 0 0.232 1.247 1.489 2.000 -0.415 + 71 3 2 58 65 0 0.291 1.206 1.508 2.000 -0.397 + 72 3 2 59 65 0 0.273 1.224 1.507 2.000 -0.422 + 73 1 3 78 74 85 0 1.328 1.321 1.129 3.783 0.000 -0.075 + 74 1 3 73 75 86 0 1.321 1.341 1.325 3.987 0.000 0.190 + 75 1 3 74 76 87 0 1.341 1.333 1.103 3.783 0.000 -0.063 + 76 1 3 75 77 88 0 1.333 1.303 1.350 3.985 0.000 0.194 + 77 1 3 76 78 89 0 1.303 1.313 1.161 3.784 0.000 -0.066 + 78 1 3 73 77 90 0 1.328 1.313 1.344 3.985 0.000 0.188 + 79 2 2 92 86 0 0.269 0.855 1.123 0.000 0.366 + 80 2 2 86 93 0 0.878 0.236 1.114 0.000 0.387 + 81 2 2 88 94 0 0.885 0.232 1.116 0.000 0.380 + 82 2 2 95 88 0 0.291 0.827 1.118 0.000 0.385 + 83 2 2 90 96 0 0.852 0.273 1.124 0.000 0.377 + 84 2 2 90 91 0 0.862 0.262 1.125 0.000 0.387 + 85 4 3 73 91 92 0 1.129 1.231 1.232 3.591 0.083 0.362 + 86 4 3 74 80 79 0 1.325 0.878 0.855 3.058 0.977 -0.457 + 87 4 3 75 93 94 0 1.103 1.245 1.247 3.595 0.081 0.390 + 88 4 3 76 81 82 0 1.350 0.885 0.827 3.061 0.974 -0.433 + 89 4 3 77 95 96 0 1.161 1.206 1.224 3.591 0.084 0.359 + 90 4 3 78 83 84 0 1.344 0.852 0.862 3.058 0.977 -0.427 + 91 3 2 84 85 0 0.262 1.231 1.504 2.000 -0.395 + 92 3 2 79 85 0 0.269 1.232 1.511 2.000 -0.426 + 93 3 2 80 87 0 0.236 1.245 1.491 2.000 -0.389 + 94 3 2 81 87 0 0.232 1.247 1.489 2.000 -0.415 + 95 3 2 82 89 0 0.291 1.206 1.508 2.000 -0.397 + 96 3 2 83 89 0 0.273 1.224 1.507 2.000 -0.422 + 97 1 3 109 98 102 0 1.129 1.321 1.328 3.783 0.000 -0.075 + 98 1 3 99 97 110 0 1.341 1.321 1.325 3.987 0.000 0.190 + 99 1 3 98 100 111 0 1.341 1.333 1.103 3.783 0.000 -0.063 + 100 1 3 99 101 112 0 1.333 1.303 1.350 3.985 0.000 0.194 + 101 1 3 100 113 102 0 1.303 1.161 1.313 3.784 0.000 -0.066 + 102 1 3 101 114 97 0 1.313 1.344 1.328 3.985 0.000 0.188 + 103 2 2 110 116 0 0.855 0.269 1.123 0.000 0.366 + 104 2 2 110 117 0 0.878 0.236 1.114 0.000 0.387 + 105 2 2 112 118 0 0.885 0.232 1.116 0.000 0.380 + 106 2 2 119 112 0 0.291 0.827 1.118 0.000 0.385 + 107 2 2 114 120 0 0.852 0.273 1.124 0.000 0.377 + 108 2 2 114 115 0 0.862 0.262 1.125 0.000 0.387 + 109 4 3 97 116 115 0 1.129 1.232 1.231 3.591 0.083 0.362 + 110 4 3 103 104 98 0 0.855 0.878 1.325 3.058 0.977 -0.457 + 111 4 3 99 117 118 0 1.103 1.245 1.247 3.595 0.081 0.390 + 112 4 3 100 105 106 0 1.350 0.885 0.827 3.061 0.974 -0.433 + 113 4 3 101 119 120 0 1.161 1.206 1.224 3.591 0.084 0.359 + 114 4 3 102 107 108 0 1.344 0.852 0.862 3.058 0.977 -0.427 + 115 3 2 109 108 0 1.231 0.262 1.504 2.000 -0.395 + 116 3 2 103 109 0 0.269 1.232 1.511 2.000 -0.426 + 117 3 2 111 104 0 1.245 0.236 1.491 2.000 -0.389 + 118 3 2 105 111 0 0.232 1.247 1.489 2.000 -0.415 + 119 3 2 106 113 0 0.291 1.206 1.508 2.000 -0.397 + 120 3 2 107 113 0 0.273 1.224 1.507 2.000 -0.422 + 121 1 3 126 122 133 0 1.328 1.321 1.129 3.783 0.000 -0.075 + 122 1 3 121 123 134 0 1.321 1.341 1.325 3.987 0.000 0.190 + 123 1 3 122 124 135 0 1.341 1.333 1.103 3.783 0.000 -0.063 + 124 1 3 123 125 136 0 1.333 1.303 1.350 3.985 0.000 0.194 + 125 1 3 124 126 137 0 1.303 1.313 1.161 3.784 0.000 -0.066 + 126 1 3 121 125 138 0 1.328 1.313 1.344 3.985 0.000 0.188 + 127 2 2 134 140 0 0.855 0.269 1.123 0.000 0.366 + 128 2 2 134 141 0 0.878 0.236 1.114 0.000 0.387 + 129 2 2 136 142 0 0.885 0.232 1.116 0.000 0.380 + 130 2 2 143 136 0 0.291 0.827 1.118 0.000 0.385 + 131 2 2 138 144 0 0.852 0.273 1.124 0.000 0.377 + 132 2 2 138 139 0 0.862 0.262 1.125 0.000 0.387 + 133 4 3 121 139 140 0 1.129 1.231 1.232 3.591 0.083 0.362 + 134 4 3 122 127 128 0 1.325 0.855 0.878 3.058 0.977 -0.457 + 135 4 3 123 141 142 0 1.103 1.245 1.247 3.595 0.081 0.390 + 136 4 3 124 129 130 0 1.350 0.885 0.827 3.061 0.974 -0.433 + 137 4 3 125 143 144 0 1.161 1.206 1.224 3.591 0.084 0.359 + 138 4 3 126 131 132 0 1.344 0.852 0.862 3.058 0.977 -0.427 + 139 3 2 132 133 0 0.262 1.231 1.504 2.000 -0.395 + 140 3 2 127 133 0 0.269 1.232 1.511 2.000 -0.426 + 141 3 2 128 135 0 0.236 1.245 1.491 2.000 -0.389 + 142 3 2 129 135 0 0.232 1.247 1.489 2.000 -0.415 + 143 3 2 130 137 0 0.291 1.206 1.508 2.000 -0.397 + 144 3 2 131 137 0 0.273 1.224 1.507 2.000 -0.422 + 145 1 3 157 146 150 0 1.129 1.321 1.328 3.783 0.000 -0.075 + 146 1 3 147 145 158 0 1.341 1.321 1.325 3.987 0.000 0.190 + 147 1 3 146 148 159 0 1.341 1.333 1.103 3.783 0.000 -0.063 + 148 1 3 147 149 160 0 1.333 1.303 1.350 3.985 0.000 0.194 + 149 1 3 148 161 150 0 1.303 1.161 1.313 3.784 0.000 -0.066 + 150 1 3 149 162 145 0 1.313 1.344 1.328 3.985 0.000 0.188 + 151 2 2 158 164 0 0.855 0.269 1.123 0.000 0.366 + 152 2 2 158 165 0 0.878 0.236 1.114 0.000 0.387 + 153 2 2 160 166 0 0.885 0.232 1.116 0.000 0.380 + 154 2 2 167 160 0 0.291 0.827 1.118 0.000 0.385 + 155 2 2 168 162 0 0.273 0.852 1.124 0.000 0.377 + 156 2 2 162 163 0 0.862 0.262 1.125 0.000 0.387 + 158 4 3 151 152 146 0 0.855 0.878 1.325 3.058 0.977 -0.457 + 159 4 3 147 165 166 0 1.103 1.245 1.247 3.595 0.081 0.390 + 160 4 3 148 153 154 0 1.350 0.885 0.827 3.061 0.974 -0.433 + 161 4 3 149 167 168 0 1.161 1.206 1.224 3.591 0.084 0.359 + 162 4 3 150 155 156 0 1.344 0.852 0.862 3.058 0.977 -0.427 + 165 3 2 159 152 0 1.245 0.236 1.491 2.000 -0.389 + 166 3 2 153 159 0 0.232 1.247 1.489 2.000 -0.415 + 167 3 2 154 161 0 0.291 1.206 1.508 2.000 -0.397 + 168 3 2 155 161 0 0.273 1.224 1.507 2.000 -0.422 + 169 1 3 174 170 181 0 1.328 1.321 1.129 3.783 0.000 -0.075 + 170 1 3 169 171 182 0 1.321 1.341 1.325 3.987 0.000 0.190 + 171 1 3 170 172 183 0 1.341 1.333 1.103 3.783 0.000 -0.063 + 172 1 3 171 173 184 0 1.333 1.303 1.350 3.985 0.000 0.194 + 173 1 3 172 174 185 0 1.303 1.313 1.161 3.784 0.000 -0.066 + 174 1 3 169 173 186 0 1.328 1.313 1.344 3.985 0.000 0.188 + 175 2 2 182 188 0 0.855 0.269 1.123 0.000 0.366 + 176 2 2 182 189 0 0.878 0.236 1.114 0.000 0.387 + 177 2 2 184 190 0 0.885 0.232 1.116 0.000 0.380 + 178 2 2 191 184 0 0.291 0.827 1.118 0.000 0.385 + 179 2 2 186 192 0 0.852 0.273 1.124 0.000 0.377 + 180 2 2 186 187 0 0.862 0.262 1.125 0.000 0.387 + 181 4 3 169 187 188 0 1.129 1.231 1.232 3.591 0.083 0.362 + 182 4 3 170 175 176 0 1.325 0.855 0.878 3.058 0.977 -0.457 + 183 4 3 171 189 190 0 1.103 1.245 1.247 3.595 0.081 0.390 + 184 4 3 172 177 178 0 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