ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 216 ITEM: BOX BOUNDS pp pp pp 0.0000000000000000e+00 1.2521400000000000e+01 0.0000000000000000e+00 1.2521400000000000e+01 0.0000000000000000e+00 1.0665200000000000e+01 ITEM: ATOMS id mol type q xs ys zs 2 2 4 0.551918 0.193149 0.197033 0.141009 87 87 4 0.529235 0.456707 0.0105099 0.485061 4 4 3 -0.51 0.340304 0.135978 0.0112576 7 7 4 0.478719 0.00844214 0.00489983 0.250001 8 8 4 0.653756 0.103962 0.164158 0.356595 9 9 3 -0.552115 0.113609 0.104658 0.219523 10 10 3 -0.564729 0.361956 0.0879268 0.400854 12 12 1 0.00739194 0.246864 0.17869 0.298621 59 59 3 -0.609813 0.161739 0.01116 0.452823 81 81 3 -0.667404 0.432424 0.1026 0.213186 79 79 4 0.564383 0.310368 0.0317174 0.249567 80 80 4 0.60528 0.485639 0.231508 0.403196 6 6 1 0.0648546 0.235911 0.225693 0.0103842 15 15 1 0.0386144 0.0312911 0.143989 0.488058 85 85 4 0.859943 0.291177 0.00646735 0.503728 14 14 4 0.729563 0.142 0.144951 0.640095 91 91 4 0.737431 0.340202 0.0324189 0.792899 16 16 2 -0.387017 0.210245 0.00848576 0.684114 93 93 1 -0.0640055 0.404814 0.127916 0.761411 18 18 3 -0.608451 0.228974 0.212891 0.544249 20 20 4 1.07107 0.149218 0.138151 0.89213 21 21 3 -0.529936 0.0546563 0.109132 0.772682 22 22 3 -0.577152 0.254031 0.0390687 0.912667 24 24 3 -0.588663 0.204146 0.221138 0.763475 75 75 1 0.191366 0.44311 0.107795 0.993201 89 89 3 -0.545574 0.392099 0.160758 0.605446 3 3 3 -0.594903 0.0636939 0.0886007 0.999713 5 5 3 -0.532213 0.0802822 0.275612 0.120196 11 11 3 -0.632627 0.102799 0.281434 0.340071 28 28 3 -0.575114 0.258848 0.390807 0.110742 111 111 3 -0.640825 0.430839 0.436545 0.46657 33 33 3 -0.543771 0.0742391 0.444844 0.223648 34 34 3 -0.571066 0.250944 0.409676 0.373846 83 83 1 -0.0454775 0.33815 0.262066 0.386099 77 77 3 -0.571979 0.402344 0.283774 0.123404 103 103 4 0.825775 0.332887 0.353621 0.250586 105 105 3 -0.502328 0.461527 0.416908 0.2401 32 32 4 0.95215 0.135954 0.494841 0.360355 26 26 4 1.07119 0.164351 0.498018 0.114424 23 23 3 -0.559107 0.0698725 0.256686 0.886138 27 27 3 -0.580625 0.0817475 0.434797 0.997361 39 39 1 -0.188289 0.13222 0.41982 0.517809 40 40 3 -0.631829 0.300342 0.413361 0.63504 44 44 4 1.14879 0.137667 0.486813 0.851555 45 45 3 -0.656271 0.0745875 0.4102 0.771719 46 46 3 -0.596215 0.246831 0.393086 0.879238 95 95 1 -0.212394 0.379464 0.268842 0.83643 97 97 4 0.673927 0.345688 0.344837 0.989901 99 99 1 -0.0963303 0.389884 0.480611 0.929501 110 110 4 0.948235 0.42951 0.465749 0.605329 115 115 4 0.793487 0.293972 0.323151 0.75314 96 96 1 0.0435168 0.480205 0.279686 0.733469 17 17 1 -0.154876 0.0368669 0.262151 0.587137 37 37 4 0.363607 0.0295436 0.367711 0.537009 109 109 4 0.845565 0.257029 0.326598 0.512686 127 127 4 1.31642 0.336576 0.644604 0.237908 29 29 3 -0.526411 0.0744965 0.60503 0.123381 107 107 3 -0.669111 0.412751 0.604366 0.375498 35 35 3 -0.563955 0.0807701 0.619447 0.367188 36 36 3 -0.540139 0.20959 0.573707 0.251581 101 101 3 -0.661222 0.371113 0.551032 0.152822 58 58 3 -0.549673 0.290503 0.735702 0.366392 52 52 3 -0.627891 0.266064 0.734198 0.143587 30 30 1 0.0228233 0.228768 0.565966 0.984561 38 38 4 0.503975 0.13432 0.544509 0.59329 47 47 3 -0.526668 0.122917 0.621407 0.917154 48 48 3 -0.535357 0.225313 0.553168 0.741954 61 61 4 0.756637 0.025106 0.667056 0.517051 64 64 3 -0.500069 0.284882 0.730599 0.644599 139 139 4 0.942931 0.330754 0.639516 0.758024 113 113 3 -0.641279 0.41265 0.599936 0.628951 119 119 1 -0.135631 0.330859 0.577378 0.91123 133 133 4 1.33714 0.342134 0.669411 0.501186 63 63 3 -0.555103 0.137726 0.740936 0.506742 69 69 3 -0.513621 0.124139 0.74754 0.765115 121 121 4 0.771118 0.322214 0.697063 0.99154 42 42 3 -0.529098 0.259287 0.583142 0.513557 49 49 4 0.948007 0.0152996 0.688244 0.99939 13 13 4 0.50901 0.0470852 0.941165 0.460318 50 50 4 1.08795 0.166304 0.829445 0.15766 51 51 3 -0.553582 0.109416 0.781339 0.00751931 53 53 3 -0.53445 0.0699247 0.920706 0.126888 54 54 3 -0.524388 0.245671 0.882167 0.0229113 56 56 4 0.793777 0.176583 0.823402 0.365634 57 57 3 -0.619151 0.0692922 0.777383 0.268296 60 60 2 -0.522407 0.25503 0.917727 0.267655 131 131 1 -0.0406301 0.469919 0.91495 0.356911 123 123 3 -0.620075 0.442862 0.761679 0.0061754 73 73 4 0.560691 0.317718 0.994251 0.0526508 129 129 3 -0.573052 0.430936 0.759469 0.234456 62 62 4 1.01374 0.176378 0.819446 0.634196 140 140 4 1.04817 0.498134 0.830927 0.869862 65 65 3 -0.511153 0.0567892 0.892669 0.620761 66 66 3 -0.493348 0.257933 0.865647 0.50904 68 68 4 0.954292 0.175685 0.845892 0.879431 143 143 3 -0.541024 0.39981 0.932225 0.855276 71 71 3 -0.50007 0.0673431 0.938188 0.856096 72 72 1 0.143928 0.265867 0.911049 0.750347 141 141 3 -0.470629 0.44823 0.786129 0.733356 125 125 1 0.133126 0.446999 0.992234 0.977449 135 135 3 -0.558712 0.443886 0.77376 0.520091 137 137 3 -0.453217 0.40284 0.950038 0.588991 70 70 3 -0.540438 0.287815 0.754948 0.845443 74 74 4 1.18156 0.501943 0.181417 0.144166 76 76 3 -0.655776 0.603293 0.0786254 0.123087 82 82 1 -0.140977 0.578598 0.10793 0.407761 84 84 2 -0.258799 0.741768 0.143435 0.294734 156 156 3 -0.654717 0.925298 0.218469 0.232599 146 146 4 0.974115 0.831949 0.158715 0.144511 147 147 3 -0.647842 0.7467 0.100999 0.0185219 148 148 1 -0.0766799 0.916615 0.0592853 0.137927 150 150 3 -0.54697 0.903524 0.213267 0.0106918 151 151 4 0.701762 0.631976 0.0419768 0.271087 152 152 4 0.0928592 0.788707 0.233353 0.42178 153 153 3 -0.575266 0.837112 0.080529 0.388713 154 154 1 0.475056 0.900264 0.0180917 0.393266 155 155 3 -0.65544 0.572327 0.246445 0.261585 162 162 1 0.103306 0.907006 0.234489 0.490412 168 168 3 -0.57154 0.892202 0.233483 0.790277 86 86 4 0.73483 0.506193 0.167207 0.624243 88 88 3 -0.628199 0.604501 0.0904253 0.632697 92 92 4 0.595339 0.536911 0.193443 0.858033 94 94 3 -0.69053 0.571324 0.078872 0.849361 158 158 4 0.538602 0.79823 0.154651 0.582712 159 159 1 0.0679189 0.665893 0.0917519 0.500522 160 160 2 -0.365246 0.971336 0.0833257 0.554384 166 166 3 -0.508323 0.902081 0.0382506 0.868569 163 163 4 1.34336 0.659652 0.0138323 0.758425 164 164 4 1.17249 0.814182 0.150401 0.88388 165 165 3 -0.532391 0.785723 0.0918755 0.726896 25 25 4 1.08877 0.996751 0.32006 0.000621661 183 183 3 -0.616069 0.74447 0.427275 0.496354 100 100 3 -0.57095 0.613899 0.412281 0.115945 104 104 4 1.14615 0.51362 0.499004 0.367632 106 106 3 -0.549679 0.61205 0.43415 0.342148 149 149 3 -0.578246 0.761554 0.280649 0.104902 31 31 4 1.31352 0.988622 0.324698 0.246649 172 172 3 -0.552554 0.929387 0.398554 0.112936 175 175 4 0.969038 0.680192 0.329332 0.248158 176 176 4 1.27048 0.837672 0.490714 0.391674 177 177 3 -0.53207 0.793608 0.412841 0.248982 178 178 3 -0.617489 0.923466 0.384038 0.370788 169 169 4 1.05505 0.66524 0.32965 0.00164498 78 78 3 -0.652915 0.5519 0.253711 0.0121396 43 43 4 0.991042 0.984441 0.303384 0.755057 190 190 1 -0.0346584 0.897903 0.396838 0.906962 112 112 1 0.136947 0.613497 0.402988 0.636749 117 117 2 -0.457744 0.515713 0.370593 0.687742 118 118 3 -0.60108 0.631322 0.421222 0.879244 161 161 3 -0.563519 0.727201 0.265566 0.656191 167 167 3 -0.610093 0.716242 0.266629 0.865016 189 189 1 -0.0144022 0.808934 0.467374 0.796013 171 171 1 0.0446665 0.795742 0.42547 0.975147 184 184 3 -0.632523 0.899059 0.381549 0.65736 187 187 4 0.759786 0.707311 0.367622 0.760516 90 90 2 -0.497781 0.555819 0.275302 0.508054 181 181 4 0.689085 0.693354 0.323966 0.52348 41 41 3 -0.697232 0.945695 0.543705 0.491635 55 55 4 1.13157 0.991713 0.655698 0.243211 98 98 4 1.01712 0.507561 0.511794 0.120279 201 201 3 -0.676477 0.788361 0.747687 0.252768 108 108 3 -0.625373 0.553345 0.595805 0.24663 124 124 3 -0.637743 0.620278 0.741969 0.145075 130 130 2 -0.404067 0.623678 0.73863 0.406296 170 170 4 1.09924 0.831122 0.507293 0.121541 173 173 3 -0.616997 0.716064 0.586205 0.128855 179 179 3 -0.611422 0.742995 0.576004 0.343304 180 180 3 -0.601796 0.912173 0.550167 0.251853 195 195 3 -0.632444 0.79489 0.73122 0.00260304 193 193 4 1.0568 0.668805 0.673603 0.00169433 196 196 3 -0.575812 0.943207 0.74516 0.129368 199 199 4 1.31204 0.678544 0.661638 0.263843 202 202 1 0.0297281 0.917833 0.696811 0.390214 174 174 3 -0.587246 0.921424 0.574518 0.0157486 67 67 4 0.609888 0.985283 0.708366 0.794908 114 114 1 -0.0570796 0.57625 0.514035 0.545881 116 116 4 0.645461 0.515149 0.506587 0.871286 120 120 3 -0.611039 0.55497 0.585978 0.756592 136 136 1 -0.159562 0.674051 0.738315 0.63856 213 213 2 -0.43747 0.807103 0.688131 0.772014 211 211 4 0.804092 0.653 0.650059 0.789694 182 182 4 1.07696 0.888385 0.515078 0.633933 185 185 3 -0.546584 0.785461 0.567191 0.645231 188 188 4 0.555656 0.894498 0.565044 0.867462 191 191 3 -0.535781 0.708239 0.570601 0.907741 192 192 3 -0.675717 0.97543 0.570619 0.73926 205 205 4 0.352516 0.622343 0.625174 0.526837 102 102 2 -0.511297 0.520441 0.589844 0.995099 186 186 3 -0.422218 0.822417 0.680025 0.508905 1 1 4 1.11187 0.994474 0.990518 0.0017899 122 122 4 0.782662 0.512999 0.818794 0.125678 126 126 1 -0.258703 0.543383 0.930997 0.0233851 132 132 1 -0.0138994 0.506079 0.932341 0.236116 194 194 4 1.32561 0.828235 0.833264 0.121031 128 128 4 0.713427 0.503724 0.783947 0.372155 197 197 3 -0.756317 0.733723 0.907865 0.110706 145 145 4 1.11404 0.673428 0.983654 0.0260192 200 200 4 0.887728 0.855556 0.82997 0.352479 210 210 3 -0.606604 0.903725 0.911042 0.47716 203 203 3 -0.634158 0.666017 0.93502 0.320998 204 204 3 -0.661645 0.89827 0.911975 0.237401 207 207 3 -0.531565 0.767424 0.837204 0.481256 157 157 4 0.86401 0.700694 0.956838 0.455348 19 19 4 0.943739 0.975253 0.986785 0.726867 134 134 4 0.953938 0.548866 0.804649 0.631761 138 138 3 -0.517132 0.607495 0.902963 0.546071 216 216 1 0.307894 0.865944 0.917912 0.639841 144 144 3 -0.550908 0.565816 0.907 0.751019 208 208 3 -0.501834 0.953585 0.752446 0.632871 206 206 4 0.870785 0.81717 0.767226 0.609132 209 209 3 -0.559378 0.732968 0.944573 0.682493 212 212 4 0.897895 0.81357 0.828048 0.87441 214 214 3 -0.527578 0.926025 0.867562 0.780117 215 215 3 -0.644678 0.73231 0.939382 0.886411 142 142 3 -0.713151 0.6206 0.763593 0.884113 198 198 3 -0.589874 0.91167 0.870143 0.986551 ITEM: TIMESTEP 10000 ITEM: NUMBER OF ATOMS 216 ITEM: BOX BOUNDS pp pp pp -1.4408327023785787e+00 1.3962232702378687e+01 -1.4408327023785787e+00 1.3962232702378687e+01 -1.2272404792921092e+00 1.1892440479292226e+01 ITEM: ATOMS id mol type q xs ys zs 83 83 1 0.201619 0.250738 0.223847 0.355033 74 74 4 1.35796 0.459608 0.167514 0.173134 79 79 4 0.698797 0.33501 0.026746 0.250943 81 81 3 -0.752269 0.391618 0.107672 0.221735 154 154 1 0.475625 0.0429845 0.0799555 0.385801 9 9 3 -0.485083 0.090167 0.12078 0.340889 10 10 3 -0.508056 0.283963 0.0304702 0.401994 12 12 1 0.205185 0.275536 0.137222 0.350981 78 78 3 -0.653257 0.477291 0.13831 0.0630378 2 2 4 0.436608 0.18798 0.235537 0.0264347 23 23 3 -0.483032 0.0751893 0.198706 0.91643 14 14 4 0.80485 0.137871 0.146484 0.704164 4 4 3 -0.506615 0.363001 0.204886 0.928757 16 16 2 -0.459813 0.220726 0.0800246 0.713861 24 24 3 -0.485028 0.200572 0.238671 0.802734 18 18 3 -0.560488 0.121656 0.201592 0.601219 20 20 4 0.795463 0.102036 0.0753627 0.920206 21 21 3 -0.407337 0.0385104 0.0896941 0.783514 22 22 3 -0.505491 0.228999 0.0248004 0.933388 75 75 1 0.46664 0.42115 0.167107 0.95653 91 91 4 0.629214 0.271756 0.00793654 0.777893 3 3 3 -0.550385 0.0265049 0.0444763 0.999103 105 105 3 -0.552169 0.292098 0.483099 0.261245 31 31 4 0.96804 0.0535285 0.300848 0.186156 28 28 3 -0.630448 0.343649 0.410547 0.121276 111 111 3 -0.583416 0.398658 0.44176 0.451011 33 33 3 -0.716554 0.0596649 0.401333 0.162404 34 34 3 -0.490723 0.237188 0.266244 0.469935 97 97 4 0.695398 0.362492 0.316717 0.0855304 5 5 3 -0.572738 0.12225 0.271361 0.101257 39 39 1 -0.0675701 0.0499321 0.385869 0.478765 25 25 4 0.972787 0.0260766 0.465256 0.0828534 6 6 1 -0.0594272 0.297477 0.255186 0.014033 77 77 3 -0.650991 0.426537 0.269344 0.159908 104 104 4 0.964561 0.366818 0.49904 0.34438 32 32 4 0.219921 0.037361 0.467188 0.583351 110 110 4 0.877328 0.430155 0.456311 0.569828 109 109 4 0.922675 0.152093 0.282129 0.529177 40 40 3 -0.507344 0.214553 0.312396 0.620361 43 43 4 0.624011 0.120978 0.276286 0.863111 45 45 3 -0.490522 0.0561544 0.44632 0.746306 46 46 3 -0.521175 0.2818 0.375124 0.776843 27 27 3 -0.578111 0.0445693 0.4354 0.96512 26 26 4 0.589115 0.30192 0.465576 0.836707 115 115 4 0.675844 0.294939 0.295483 0.699985 119 119 1 -0.101695 0.397258 0.498148 0.885867 93 93 1 0.254125 0.398553 0.255595 0.654961 89 89 3 -0.403839 0.470566 0.256673 0.654521 127 127 4 0.837106 0.372309 0.673285 0.252861 29 29 3 -0.574398 0.0291819 0.667907 0.118861 107 107 3 -0.527762 0.333435 0.590693 0.376859 35 35 3 -0.620679 0.021359 0.637696 0.332295 36 36 3 -0.546809 0.316677 0.586966 0.151311 101 101 3 -0.57261 0.468233 0.578054 0.267298 121 121 4 0.673563 0.270052 0.719975 0.0348228 47 47 3 -0.414547 0.155681 0.645585 0.0191539 103 103 4 0.840724 0.281545 0.490839 0.136752 55 55 4 0.995067 0.00653233 0.610175 0.216761 30 30 1 0.134577 0.256147 0.6106 0.0362701 61 61 4 0.935024 0.00424208 0.684812 0.438929 63 63 3 -0.606441 0.0723955 0.758067 0.479823 58 58 3 -0.511757 0.329262 0.748095 0.323024 113 113 3 -0.606635 0.362848 0.534344 0.58639 38 38 4 0.891996 0.155524 0.527967 0.691369 99 99 1 0.123575 0.461064 0.517183 0.9501 133 133 4 1.2049 0.284963 0.586424 0.539261 42 42 3 -0.666885 0.207329 0.539757 0.591961 48 48 3 -0.517847 0.225911 0.522584 0.777268 51 51 3 -0.583511 0.0646346 0.753639 0.849446 64 64 3 -0.685242 0.287689 0.671874 0.604835 41 41 3 -0.481454 0.0195539 0.59199 0.535345 49 49 4 1.1174 0.0302408 0.699713 1.00019 123 123 3 -0.539863 0.409186 0.749141 0.0260398 50 50 4 0.811165 0.195073 0.875151 0.174514 87 87 4 0.322638 0.456829 0.9581 0.370178 53 53 3 -0.500085 0.108621 0.90425 0.234308 7 7 4 0.422498 0.0359441 0.970281 0.264265 56 56 4 0.699479 0.294896 0.843718 0.328407 57 57 3 -0.351607 0.19763 0.810836 0.309334 60 60 2 -0.586484 0.305612 0.930115 0.220036 129 129 3 -0.554558 0.464207 0.77728 0.220973 52 52 3 -0.533291 0.222855 0.790658 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