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 0.59098 0.170878 0.178138 0.14207 3 3 3 -0.567652 0.0860127 0.0983193 0.0162919 4 4 3 -0.562315 0.335184 0.142169 0.0255237 7 7 4 0.585076 0.00678942 0.00161899 0.254407 8 8 4 0.815784 0.136919 0.164388 0.388758 9 9 3 -0.596538 0.0924944 0.105766 0.250442 10 10 3 -0.628845 0.355824 0.0453654 0.417002 12 12 1 -0.143847 0.257757 0.184992 0.29015 59 59 3 -0.682179 0.167028 0.0409238 0.459215 73 73 4 0.611307 0.295058 0.0110839 0.0412232 79 79 4 0.562333 0.307521 0.043125 0.256146 80 80 4 0.61834 0.490449 0.20181 0.370225 81 81 3 -0.605446 0.4373 0.105035 0.233305 83 83 1 -0.111406 0.347979 0.249695 0.35759 6 6 1 0.0348592 0.250236 0.217417 0.997785 14 14 4 1.00189 0.142569 0.14289 0.636447 15 15 1 0.0910477 0.0155693 0.152373 0.501211 16 16 2 -0.606499 0.226728 0.0321728 0.666811 17 17 1 -0.202717 0.021681 0.241001 0.596848 18 18 3 -0.655495 0.209085 0.215238 0.525542 20 20 4 1.06709 0.151108 0.152712 0.890481 21 21 3 -0.603817 0.0666983 0.0948981 0.756685 22 22 3 -0.574633 0.242716 0.04861 0.889777 24 24 3 -0.699144 0.199592 0.218702 0.746154 75 75 1 0.0248452 0.442013 0.109282 0.984652 89 89 3 -0.470561 0.396877 0.160029 0.614397 91 91 4 0.84056 0.333403 0.0101331 0.771022 93 93 1 0.0543416 0.409353 0.140187 0.75326 5 5 3 -0.629685 0.06984 0.270494 0.127757 11 11 3 -0.727779 0.0753923 0.283465 0.360679 28 28 3 -0.608453 0.264178 0.401442 0.117436 31 31 4 1.45719 0.00317472 0.338555 0.246037 33 33 3 -0.644877 0.0960624 0.444009 0.238314 34 34 3 -0.664593 0.263201 0.414632 0.340114 37 37 4 0.699933 0.0145795 0.354377 0.494056 77 77 3 -0.608153 0.411303 0.291429 0.10979 103 103 4 1.0122 0.343533 0.350833 0.235834 105 105 3 -0.623417 0.442754 0.441573 0.241321 109 109 4 0.838763 0.262509 0.336018 0.470759 111 111 3 -0.615032 0.420561 0.419865 0.457925 23 23 3 -0.65272 0.0586608 0.259174 0.881702 27 27 3 -0.669894 0.0893101 0.431466 0.994427 39 39 1 -0.261809 0.13509 0.423401 0.505794 40 40 3 -0.629581 0.314486 0.37914 0.621267 44 44 4 1.24395 0.144524 0.478063 0.856489 45 45 3 -0.64278 0.0738915 0.416867 0.753113 46 46 3 -0.724675 0.23931 0.384558 0.861385 95 95 1 -0.236818 0.402906 0.259073 0.811974 97 97 4 0.648147 0.330922 0.340325 0.989684 99 99 1 -0.126517 0.398546 0.467051 0.934319 110 110 4 0.956731 0.433603 0.465427 0.597754 115 115 4 0.989239 0.287605 0.312954 0.748445 26 26 4 1.12133 0.161758 0.504254 0.117833 29 29 3 -0.547435 0.0650028 0.607644 0.126234 32 32 4 1.17922 0.164704 0.505555 0.364713 35 35 3 -0.657854 0.0686446 0.601404 0.368381 36 36 3 -0.641975 0.227897 0.57399 0.245001 42 42 3 -0.641232 0.240327 0.575462 0.489429 49 49 4 0.993296 0.0129396 0.681371 0.00429228 52 52 3 -0.667913 0.271776 0.738427 0.13547 58 58 3 -0.66977 0.287399 0.734165 0.376807 101 101 3 -0.692737 0.387825 0.593646 0.126789 107 107 3 -0.688959 0.413141 0.604722 0.383543 121 121 4 0.982244 0.332333 0.682573 0.0111268 127 127 4 1.39421 0.33178 0.659974 0.25123 129 129 3 -0.640799 0.441916 0.744973 0.234798 30 30 1 0.00650601 0.229948 0.570892 0.981325 38 38 4 0.619158 0.139261 0.541111 0.597005 47 47 3 -0.545633 0.129097 0.603818 0.913085 48 48 3 -0.562281 0.210555 0.550454 0.730524 61 61 4 0.84442 0.0168751 0.661207 0.506601 64 64 3 -0.644929 0.277041 0.720686 0.63775 70 70 3 -0.59882 0.278209 0.741265 0.873407 113 113 3 -0.670882 0.387199 0.583095 0.637992 119 119 1 -0.111687 0.332075 0.552526 0.904177 133 133 4 1.3819 0.338352 0.664001 0.507931 139 139 4 1.02349 0.32001 0.64885 0.762704 13 13 4 0.58343 0.0583879 0.943586 0.47569 50 50 4 1.23146 0.171877 0.840963 0.140437 51 51 3 -0.597222 0.111791 0.774691 0.00762639 53 53 3 -0.61816 0.068422 0.930673 0.133102 54 54 3 -0.617632 0.239326 0.893566 0.0120513 56 56 4 0.995801 0.180757 0.828336 0.37503 57 57 3 -0.644357 0.106351 0.768033 0.259746 60 60 2 -0.593723 0.239842 0.914373 0.264067 87 87 4 0.728022 0.480788 0.994387 0.476451 123 123 3 -0.594838 0.438117 0.762915 0.00207732 128 128 4 0.880704 0.494542 0.769409 0.377942 131 131 1 -0.0857761 0.473047 0.906247 0.348087 62 62 4 1.10193 0.177647 0.816485 0.63393 63 63 3 -0.617404 0.120892 0.754456 0.50461 65 65 3 -0.589532 0.0668118 0.906875 0.630106 66 66 3 -0.698136 0.24912 0.874797 0.506715 68 68 4 1.07646 0.170258 0.844305 0.879785 69 69 3 -0.62146 0.109677 0.756798 0.762187 71 71 3 -0.579912 0.063134 0.932243 0.882499 72 72 1 -0.0784538 0.236908 0.908528 0.740985 85 85 4 1.19748 0.28534 0.998015 0.531302 125 125 1 0.184279 0.438915 0.992483 0.991996 135 135 3 -0.665638 0.445704 0.753381 0.525684 137 137 3 -0.5502 0.406837 0.965404 0.60559 141 141 3 -0.544007 0.450666 0.762931 0.755735 143 143 3 -0.586595 0.407422 0.939627 0.870207 74 74 4 1.10335 0.50363 0.177481 0.119018 76 76 3 -0.68214 0.603672 0.0836942 0.12353 82 82 1 -0.212211 0.58106 0.0891906 0.41974 84 84 2 -0.43428 0.738913 0.135434 0.259674 145 145 4 1.12003 0.662578 0.00108039 0.0133378 146 146 4 1.03489 0.821508 0.162894 0.135565 147 147 3 -0.64019 0.761765 0.101643 0.00230047 148 148 1 -0.0647231 0.914739 0.0494443 0.141906 150 150 3 -0.666154 0.901478 0.21749 0.0112246 151 151 4 0.782975 0.645635 0.0314375 0.265076 152 152 4 0.4838 0.811573 0.208962 0.371655 153 153 3 -0.575623 0.838617 0.0778444 0.413506 154 154 1 0.580264 0.927136 0.0254475 0.42406 156 156 3 -0.596732 0.899627 0.238106 0.253782 78 78 3 -0.591073 0.570776 0.247644 0.995043 86 86 4 0.646784 0.521446 0.200566 0.623478 88 88 3 -0.581381 0.602576 0.089908 0.642979 92 92 4 0.532961 0.520828 0.178073 0.869488 94 94 3 -0.659708 0.609892 0.076013 0.875022 158 158 4 0.651308 0.796852 0.168744 0.616051 159 159 1 0.0753183 0.668372 0.093615 0.525887 160 160 2 -0.468735 0.984559 0.0515652 0.53676 162 162 1 -0.0105703 0.918347 0.218517 0.525791 163 163 4 1.40315 0.666671 0.00368617 0.763726 164 164 4 1.36575 0.833968 0.1581 0.883672 165 165 3 -0.618378 0.77134 0.101302 0.751193 166 166 3 -0.61644 0.922193 0.0497993 0.878254 168 168 3 -0.635298 0.889302 0.233866 0.770899 25 25 4 1.14123 0.997912 0.323699 0.00459476 90 90 2 -0.503936 0.558729 0.269986 0.497049 100 100 3 -0.674423 0.606379 0.411358 0.110478 104 104 4 1.11573 0.50843 0.493501 0.376416 106 106 3 -0.654254 0.616482 0.403003 0.358129 149 149 3 -0.679565 0.734707 0.276743 0.115152 155 155 3 -0.628051 0.559674 0.251544 0.242321 172 172 3 -0.694727 0.937646 0.39652 0.124598 175 175 4 1.20502 0.665183 0.343334 0.229305 176 176 4 1.38401 0.838736 0.492004 0.370964 177 177 3 -0.660941 0.777831 0.423627 0.242575 178 178 3 -0.702888 0.939136 0.398011 0.370527 181 181 4 0.711222 0.680026 0.334568 0.481501 183 183 3 -0.621143 0.779044 0.426975 0.495565 43 43 4 1.01432 0.995207 0.309757 0.745273 96 96 1 0.101357 0.505366 0.294226 0.746162 112 112 1 0.177586 0.603748 0.438762 0.642325 117 117 2 -0.500394 0.509896 0.401991 0.704671 118 118 3 -0.693159 0.61948 0.411286 0.878325 161 161 3 -0.603792 0.726202 0.282658 0.632846 167 167 3 -0.57466 0.722178 0.261463 0.865078 169 169 4 1.16995 0.673983 0.33483 0.991983 171 171 1 -0.0804601 0.801872 0.418548 0.969795 184 184 3 -0.654574 0.927593 0.391272 0.634505 187 187 4 0.722095 0.702884 0.366449 0.756685 189 189 1 -0.104282 0.818142 0.439819 0.825017 190 190 1 0.00647543 0.889814 0.385503 0.905936 41 41 3 -0.656808 0.925458 0.543931 0.49862 55 55 4 1.11072 0.993216 0.666936 0.255921 98 98 4 1.24658 0.50454 0.515738 0.12823 102 102 2 -0.779171 0.554178 0.581634 0.00698234 108 108 3 -0.669412 0.566512 0.566812 0.252523 124 124 3 -0.704078 0.614327 0.736646 0.136946 130 130 2 -0.623149 0.61122 0.712582 0.388746 170 170 4 1.14918 0.839606 0.500226 0.117414 173 173 3 -0.681455 0.734978 0.596753 0.129108 179 179 3 -0.658429 0.730182 0.573281 0.367826 180 180 3 -0.650054 0.899937 0.560132 0.245995 186 186 3 -0.434764 0.821629 0.683763 0.485861 193 193 4 1.4284 0.661267 0.666224 0.0141081 196 196 3 -0.61828 0.939344 0.737288 0.129575 199 199 4 1.35901 0.675571 0.659775 0.260418 202 202 1 -0.0669092 0.919697 0.727587 0.399299 67 67 4 0.815813 0.981968 0.713561 0.781521 114 114 1 -0.169624 0.579776 0.515001 0.547046 116 116 4 0.931779 0.527991 0.5074 0.881316 120 120 3 -0.594135 0.551666 0.588279 0.769723 136 136 1 -0.299179 0.654795 0.729651 0.632491 142 142 3 -0.703241 0.614839 0.748851 0.890627 174 174 3 -0.631595 0.905851 0.583515 0.993085 182 182 4 1.1194 0.866837 0.505023 0.627945 185 185 3 -0.669544 0.759379 0.570398 0.656668 188 188 4 0.860002 0.844987 0.583156 0.850354 191 191 3 -0.692077 0.716517 0.590787 0.8955 192 192 3 -0.643166 0.953209 0.575317 0.752308 205 205 4 0.717016 0.670147 0.633513 0.504983 208 208 3 -0.565419 0.956112 0.729144 0.629467 211 211 4 0.910439 0.661326 0.66162 0.773249 213 213 2 -0.722594 0.817126 0.71981 0.79026 1 1 4 1.13842 0.990722 0.990845 0.00650039 122 122 4 0.778299 0.513523 0.823934 0.129485 126 126 1 -0.302649 0.537731 0.924591 0.00983863 132 132 1 -0.102762 0.539732 0.921339 0.25406 194 194 4 1.38878 0.827413 0.830557 0.126684 195 195 3 -0.76281 0.770999 0.755376 0.0101712 197 197 3 -0.612131 0.730192 0.931657 0.120315 198 198 3 -0.700633 0.897252 0.881262 0.000782639 200 200 4 1.15463 0.833162 0.843607 0.362181 201 201 3 -0.730622 0.770443 0.765936 0.252326 203 203 3 -0.596732 0.71918 0.944755 0.34846 204 204 3 -0.679364 0.891577 0.906675 0.23865 207 207 3 -0.64712 0.756205 0.83688 0.490579 210 210 3 -0.66637 0.913243 0.920101 0.457084 19 19 4 1.07149 0.987766 0.983606 0.744996 134 134 4 1.04574 0.535868 0.80743 0.6399 138 138 3 -0.673865 0.575387 0.90429 0.534715 140 140 4 1.10165 0.504506 0.836147 0.878015 144 144 3 -0.67149 0.570027 0.904334 0.75376 157 157 4 1.00241 0.69716 0.95074 0.502615 206 206 4 0.795995 0.810565 0.764149 0.614874 209 209 3 -0.699259 0.745847 0.940629 0.661156 212 212 4 1.2728 0.814305 0.829862 0.89055 214 214 3 -0.681797 0.90828 0.874302 0.788045 215 215 3 -0.723179 0.729293 0.933168 0.88225 216 216 1 0.414512 0.86069 0.904669 0.66592 ITEM: TIMESTEP 1000 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 0.55191 0.193149 0.197033 0.141009 3 3 3 -0.594894 0.0636939 0.0886007 -0.000287173 4 4 3 -0.510002 0.340304 0.135978 0.0112576 7 7 4 0.478706 0.00844214 0.00489983 0.250001 8 8 4 0.653765 0.103962 0.164158 0.356595 9 9 3 -0.552116 0.113609 0.104658 0.219523 10 10 3 -0.564731 0.361956 0.0879268 0.400854 12 12 1 0.00740438 0.246864 0.17869 0.298621 59 59 3 -0.609812 0.161739 0.01116 0.452823 73 73 4 0.560698 0.317718 -0.0057487 0.0526508 79 79 4 0.564379 0.310368 0.0317174 0.249567 80 80 4 0.605298 0.485639 0.231508 0.403196 81 81 3 -0.6674 0.432424 0.1026 0.213186 83 83 1 -0.045488 0.33815 0.262066 0.386099 6 6 1 0.0648616 0.235911 0.225693 1.01038 14 14 4 0.729554 0.142 0.144951 0.640095 15 15 1 0.0386036 0.0312911 0.143989 0.488058 16 16 2 -0.387011 0.210245 0.00848576 0.684114 17 17 1 -0.15486 0.0368669 0.262151 0.587137 18 18 3 -0.608451 0.228974 0.212891 0.544249 20 20 4 1.07105 0.149218 0.138151 0.89213 21 21 3 -0.529927 0.0546563 0.109132 0.772682 22 22 3 -0.577148 0.254031 0.0390687 0.912667 24 24 3 -0.588659 0.204146 0.221138 0.763475 75 75 1 0.191365 0.44311 0.107795 0.993201 89 89 3 -0.545582 0.392099 0.160758 0.605446 91 91 4 0.737419 0.340202 0.0324189 0.792899 93 93 1 -0.0639918 0.404814 0.127916 0.761411 5 5 3 -0.53221 0.0802822 0.275612 0.120196 11 11 3 -0.632625 0.102799 0.281434 0.340071 28 28 3 -0.575114 0.258848 0.390807 0.110742 31 31 4 1.3135 -0.0113785 0.324698 0.246649 33 33 3 -0.54377 0.0742391 0.444844 0.223648 34 34 3 -0.57107 0.250944 0.409676 0.373846 37 37 4 0.363585 0.0295436 0.367711 0.537009 77 77 3 -0.571976 0.402344 0.283774 0.123404 103 103 4 0.825773 0.332887 0.353621 0.250586 105 105 3 -0.502335 0.461527 0.416908 0.2401 109 109 4 0.84556 0.257029 0.326598 0.512686 111 111 3 -0.640825 0.430839 0.436545 0.46657 23 23 3 -0.5591 0.0698725 0.256686 0.886138 27 27 3 -0.58062 0.0817475 0.434797 0.997361 39 39 1 -0.188274 0.13222 0.41982 0.517809 40 40 3 -0.631826 0.300342 0.413361 0.63504 44 44 4 1.14878 0.137667 0.486813 0.851555 45 45 3 -0.656263 0.0745875 0.4102 0.771719 46 46 3 -0.596219 0.246831 0.393086 0.879238 95 95 1 -0.212395 0.379464 0.268842 0.83643 97 97 4 0.673921 0.345688 0.344837 0.989901 99 99 1 -0.0963192 0.389884 0.480611 0.929501 110 110 4 0.948218 0.42951 0.465749 0.605329 115 115 4 0.793487 0.293972 0.323151 0.75314 26 26 4 1.07119 0.164351 0.498018 0.114424 29 29 3 -0.526413 0.0744965 0.60503 0.123381 32 32 4 0.952157 0.135954 0.494841 0.360355 35 35 3 -0.563956 0.0807701 0.619447 0.367188 36 36 3 -0.540137 0.20959 0.573707 0.251581 42 42 3 -0.529098 0.259287 0.583142 0.513557 49 49 4 0.948005 0.0152996 0.688244 -0.000610064 52 52 3 -0.627887 0.266064 0.734198 0.143587 58 58 3 -0.549666 0.290503 0.735702 0.366392 101 101 3 -0.66121 0.371113 0.551032 0.152822 107 107 3 -0.669101 0.412751 0.604366 0.375498 121 121 4 0.771112 0.322214 0.697063 -0.00846039 127 127 4 1.31641 0.336576 0.644604 0.237908 129 129 3 -0.573046 0.430936 0.759469 0.234456 30 30 1 0.0228234 0.228768 0.565966 0.984561 38 38 4 0.503966 0.13432 0.544509 0.59329 47 47 3 -0.526665 0.122917 0.621407 0.917154 48 48 3 -0.535351 0.225313 0.553168 0.741954 61 61 4 0.756639 0.025106 0.667056 0.517051 64 64 3 -0.50007 0.284882 0.730599 0.644599 70 70 3 -0.540433 0.287815 0.754948 0.845443 113 113 3 -0.641275 0.41265 0.599936 0.628951 119 119 1 -0.135631 0.330859 0.577378 0.91123 133 133 4 1.33713 0.342134 0.669411 0.501186 139 139 4 0.942933 0.330754 0.639516 0.758024 13 13 4 0.509003 0.0470852 0.941165 0.460318 50 50 4 1.08794 0.166304 0.829445 0.15766 51 51 3 -0.553584 0.109416 0.781339 0.00751931 53 53 3 -0.534447 0.0699247 0.920706 0.126888 54 54 3 -0.524395 0.245671 0.882167 0.0229113 56 56 4 0.793779 0.176583 0.823402 0.365634 57 57 3 -0.619153 0.0692922 0.777383 0.268296 60 60 2 -0.522403 0.25503 0.917727 0.267655 87 87 4 0.529234 0.456707 1.01051 0.485061 123 123 3 -0.620074 0.442862 0.761679 0.0061754 128 128 4 0.713424 0.503724 0.783947 0.372155 131 131 1 -0.0406356 0.469919 0.91495 0.356911 62 62 4 1.01375 0.176378 0.819446 0.634196 63 63 3 -0.555104 0.137726 0.740936 0.506742 65 65 3 -0.511156 0.0567892 0.892669 0.620761 66 66 3 -0.493353 0.257933 0.865647 0.50904 68 68 4 0.954293 0.175685 0.845892 0.879431 69 69 3 -0.513629 0.124139 0.74754 0.765115 71 71 3 -0.500065 0.0673431 0.938188 0.856096 72 72 1 0.143928 0.265867 0.911049 0.750347 85 85 4 0.85995 0.291177 1.00647 0.503728 125 125 1 0.133115 0.446999 0.992234 0.977449 135 135 3 -0.558712 0.443886 0.77376 0.520091 137 137 3 -0.453214 0.40284 0.950038 0.588991 141 141 3 -0.470626 0.44823 0.786129 0.733356 143 143 3 -0.541018 0.39981 0.932225 0.855276 74 74 4 1.18155 0.501943 0.181417 0.144166 76 76 3 -0.655778 0.603293 0.0786254 0.123087 82 82 1 -0.140986 0.578598 0.10793 0.407761 84 84 2 -0.258786 0.741768 0.143435 0.294734 145 145 4 1.11404 0.673428 -0.0163456 0.0260192 146 146 4 0.974095 0.831949 0.158715 0.144511 147 147 3 -0.647833 0.7467 0.100999 0.0185219 148 148 1 -0.0766594 0.916615 0.0592853 0.137927 150 150 3 -0.546966 0.903524 0.213267 0.0106918 151 151 4 0.701764 0.631976 0.0419768 0.271087 152 152 4 0.0928468 0.788707 0.233353 0.42178 153 153 3 -0.575271 0.837112 0.080529 0.388713 154 154 1 0.475058 0.900264 0.0180917 0.393266 156 156 3 -0.654709 0.925298 0.218469 0.232599 78 78 3 -0.652918 0.5519 0.253711 1.01214 86 86 4 0.734851 0.506193 0.167207 0.624243 88 88 3 -0.628201 0.604501 0.0904253 0.632697 92 92 4 0.595338 0.536911 0.193443 0.858033 94 94 3 -0.690534 0.571324 0.078872 0.849361 158 158 4 0.538606 0.79823 0.154651 0.582712 159 159 1 0.067925 0.665893 0.0917519 0.500522 160 160 2 -0.365243 0.971336 0.0833257 0.554384 162 162 1 0.10331 0.907006 0.234489 0.490412 163 163 4 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