ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 288 ITEM: BOX BOUNDS xy xz yz pp pp pp -4.6661029999999997e+00 9.8937100000000004e+00 -4.6661029999999997e+00 0.0000000000000000e+00 2.5149094000000002e+01 0.0000000000000000e+00 0.0000000000000000e+00 2.3100000000000001e+01 0.0000000000000000e+00 ITEM: ATOMS id mol type q xs ys zs 2 2 2 2.0001 0.00437219 0.499056 0.586445 5 5 2 2.0001 0.500345 0.499962 0.434813 7 7 2 2.0001 0.977797 0.250408 0.571906 9 9 2 2.0001 0.479067 0.256496 0.417341 10 10 2 2.0001 0.478935 0.256675 0.724638 13 13 5 1.6388 0.843878 0.133217 0.416477 14 14 5 1.6388 0.844914 0.131638 0.739576 15 15 5 1.6388 0.112193 0.371058 0.408698 16 16 5 1.6388 0.114606 0.369487 0.732165 21 21 5 1.6388 0.328902 0.135751 0.573262 22 22 5 1.6388 0.625692 0.376615 0.573376 25 21 4 -0.9097 0.224016 0.142989 0.632395 26 22 4 -0.9097 0.730306 0.367311 0.631917 29 13 4 -0.9097 0.743805 0.14223 0.476714 30 14 4 -0.9097 0.732389 0.141082 0.795333 31 15 4 -0.9097 0.211333 0.36533 0.470161 32 16 4 -0.9097 0.226072 0.362853 0.78923 37 13 4 -0.9097 0.979186 0.187376 0.410051 38 14 4 -0.9097 0.980716 0.185916 0.737036 39 15 4 -0.9097 0.986235 0.313829 0.401423 40 16 4 -0.9097 0.985147 0.313024 0.728995 45 21 4 -0.9097 0.462269 0.190701 0.569269 46 22 4 -0.9097 0.489787 0.322635 0.568474 49 13 4 -0.9097 0.910266 0.0748314 0.425006 50 14 4 -0.9097 0.909691 0.0735018 0.752508 51 15 4 -0.9097 0.0334511 0.426644 0.415738 52 16 4 -0.9097 0.0410539 0.425817 0.743568 57 21 4 -0.9097 0.397498 0.0780067 0.581754 58 22 4 -0.9097 0.560808 0.435067 0.583542 61 13 4 -0.9097 0.742388 0.128468 0.354053 62 14 4 -0.9097 0.757015 0.126087 0.673546 63 15 4 -0.9097 0.217673 0.378426 0.3474 64 16 4 -0.9097 0.206094 0.376233 0.667005 69 21 4 -0.9097 0.231894 0.131296 0.509657 70 22 4 -0.9097 0.72197 0.38145 0.509592 73 25 3 -0.856 0.0382801 0.0585768 0.653001 74 26 3 -0.856 0.917215 0.450721 0.648623 77 29 3 -0.856 0.540528 0.0593838 0.492833 78 30 3 -0.856 0.525932 0.05914 0.80506 79 31 3 -0.856 0.404333 0.447571 0.495823 80 32 3 -0.856 0.415202 0.448122 0.807313 85 25 1 0.428 0.1209 0.0890971 0.642988 86 26 1 0.428 0.82812 0.423336 0.63831 89 29 1 0.428 0.621533 0.0913583 0.485745 90 30 1 0.428 0.60948 0.0891056 0.794336 91 31 1 0.428 0.320231 0.417282 0.487129 92 32 1 0.428 0.329279 0.419297 0.796468 97 25 1 0.428 0.981129 0.0710769 0.686884 98 26 1 0.428 0.966934 0.436006 0.683485 101 29 1 0.428 0.474443 0.0702173 0.524253 102 30 1 0.428 0.470764 0.0723425 0.839262 103 31 1 0.428 0.45601 0.437286 0.532491 104 32 1 0.428 0.462711 0.435589 0.84416 109 37 3 -0.856 0.518879 0.0541417 0.362479 110 38 3 -0.856 0.526895 0.0535673 0.672347 111 39 3 -0.856 0.450578 0.445119 0.367152 112 40 3 -0.856 0.436877 0.446269 0.681404 117 45 3 -0.856 0.0286211 0.0515106 0.522492 118 46 3 -0.856 0.954127 0.445313 0.523049 121 37 1 0.428 0.464822 0.0689047 0.328896 122 38 1 0.428 0.463951 0.0673823 0.64157 123 39 1 0.428 0.499676 0.436588 0.32888 124 40 1 0.428 0.504079 0.439329 0.648301 129 45 1 0.428 0.958563 0.0619796 0.492421 130 46 1 0.428 0.00908758 0.434626 0.487408 133 37 1 0.428 0.610219 0.0811828 0.370604 134 38 1 0.428 0.616497 0.0821281 0.677904 135 39 1 0.428 0.360396 0.416801 0.372849 136 40 1 0.428 0.351034 0.415354 0.681528 141 45 1 0.428 0.110901 0.0834732 0.527364 142 46 1 0.428 0.86316 0.417311 0.5279 145 49 3 -0.856 0.801816 0.00920773 0.596035 146 50 3 -0.856 0.189863 0.467975 0.604676 149 53 3 -0.856 0.293581 0.00754834 0.438577 150 54 3 -0.856 0.292851 0.00706956 0.745333 151 55 3 -0.856 0.685582 0.469366 0.450504 152 56 3 -0.856 0.685595 0.466986 0.759247 157 49 1 0.428 0.731142 0.0337533 0.606793 158 50 1 0.428 0.184022 0.434482 0.631475 161 53 1 0.428 0.221107 0.0322836 0.445472 162 54 1 0.428 0.221198 0.0321546 0.752189 163 55 1 0.428 0.676142 0.436818 0.47886 164 56 1 0.428 0.68221 0.433948 0.786585 170 50 1 0.428 0.293582 0.484492 0.597164 171 51 1 0.428 0.259227 0.0322112 0.584748 175 55 1 0.428 0.790013 0.482893 0.44113 176 56 1 0.428 0.788293 0.482273 0.748349 177 57 1 0.428 0.762476 0.0299336 0.435342 178 58 1 0.428 0.762265 0.0301265 0.74027 181 61 3 -0.856 0.868406 0.290137 0.625944 182 62 3 -0.856 0.0745638 0.216321 0.633117 185 65 3 -0.856 0.370223 0.29223 0.471359 186 66 3 -0.856 0.389533 0.294191 0.789788 187 67 3 -0.856 0.589894 0.21803 0.472716 188 68 3 -0.856 0.576129 0.215528 0.788923 193 61 1 0.428 0.801779 0.317377 0.62112 194 62 1 0.428 0.152608 0.19363 0.630369 197 65 1 0.428 0.298043 0.317625 0.472 198 66 1 0.428 0.310103 0.315241 0.78126 199 67 1 0.428 0.653076 0.189283 0.470838 200 68 1 0.428 0.645649 0.189972 0.780522 205 61 1 0.428 0.92917 0.300102 0.66295 206 62 1 0.428 0.0175552 0.205911 0.671043 209 65 1 0.428 0.430585 0.298595 0.508926 210 66 1 0.428 0.436575 0.307289 0.829266 211 67 1 0.428 0.528027 0.21144 0.509808 212 68 1 0.428 0.523196 0.203855 0.827581 217 73 3 -0.856 0.386627 0.29991 0.352209 218 74 3 -0.856 0.373988 0.298536 0.66775 219 75 3 -0.856 0.574823 0.223639 0.345009 220 76 3 -0.856 0.591124 0.228079 0.66028 225 81 3 -0.856 0.877007 0.278147 0.501239 226 82 3 -0.856 0.0754439 0.206136 0.517891 229 73 1 0.428 0.43829 0.307642 0.312528 230 74 1 0.428 0.435313 0.301733 0.63042 231 75 1 0.428 0.511794 0.206843 0.310697 232 76 1 0.428 0.511025 0.210637 0.63275 237 81 1 0.428 0.950718 0.293985 0.470171 238 82 1 0.428 0.0231226 0.198443 0.478401 241 73 1 0.428 0.307963 0.322389 0.35478 242 74 1 0.428 0.300876 0.323337 0.663471 243 75 1 0.428 0.678291 0.224672 0.333962 244 76 1 0.428 0.685759 0.225195 0.641025 249 81 1 0.428 0.778557 0.280484 0.485574 250 82 1 0.428 0.148204 0.181156 0.521657 253 85 3 -0.856 0.325625 0.186297 0.415473 254 86 3 -0.856 0.32712 0.18734 0.730983 255 87 3 -0.856 0.645385 0.322444 0.418333 256 88 3 -0.856 0.646196 0.324394 0.733361 261 93 3 -0.856 0.811875 0.185417 0.578973 262 94 3 -0.856 0.12872 0.319541 0.571588 265 85 1 0.428 0.288655 0.165355 0.377905 266 86 1 0.428 0.301658 0.168708 0.690986 267 87 1 0.428 0.679056 0.346294 0.382281 268 88 1 0.428 0.674256 0.345051 0.694718 273 93 1 0.428 0.774407 0.162199 0.54304 274 94 1 0.428 0.15508 0.338112 0.531659 277 93 1 0.428 0.791066 0.162551 0.616657 278 94 1 0.428 0.160868 0.346653 0.605057 281 85 1 0.428 0.287839 0.163936 0.451962 282 86 1 0.428 0.283598 0.161927 0.764434 283 87 1 0.428 0.661866 0.345614 0.455982 284 88 1 0.428 0.671165 0.350368 0.768524 1 1 2 2.0001 0.00604835 0.999563 0.589936 3 3 2 2.0001 0.500532 0.999504 0.434165 4 4 2 2.0001 0.500632 0.999601 0.741181 6 6 2 2.0001 0.501112 0.500348 0.742255 8 8 2 2.0001 0.0158178 0.746426 0.604319 11 11 2 2.0001 0.516914 0.746893 0.450432 12 12 2 2.0001 0.517073 0.746932 0.757704 17 17 5 1.6388 0.161204 0.863466 0.437203 18 18 5 1.6388 0.162245 0.863178 0.760374 19 19 5 1.6388 0.891913 0.627367 0.442752 20 20 5 1.6388 0.895187 0.625602 0.766727 23 23 5 1.6388 0.674131 0.86605 0.598995 24 24 5 1.6388 0.377154 0.625772 0.605194 27 23 4 -0.9097 0.777549 0.858741 0.539388 28 24 4 -0.9097 0.270227 0.633115 0.546824 33 17 4 -0.9097 0.266991 0.85678 0.378091 34 18 4 -0.9097 0.259983 0.857617 0.698426 35 19 4 -0.9097 0.776561 0.634688 0.387378 36 20 4 -0.9097 0.792901 0.633232 0.706777 41 17 4 -0.9097 0.0248626 0.809368 0.439111 42 18 4 -0.9097 0.0283387 0.808326 0.764912 43 19 4 -0.9097 0.0185192 0.684681 0.446848 44 20 4 -0.9097 0.0178817 0.68347 0.776355 47 23 4 -0.9097 0.537625 0.812235 0.602127 48 24 4 -0.9097 0.506639 0.681988 0.610418 53 17 4 -0.9097 0.0965328 0.922373 0.430291 54 18 4 -0.9097 0.0940297 0.921513 0.756529 55 19 4 -0.9097 0.968714 0.572415 0.428016 56 20 4 -0.9097 0.978026 0.571642 0.755291 59 23 4 -0.9097 0.610039 0.924965 0.592086 60 24 4 -0.9097 0.450813 0.569452 0.594462 65 17 4 -0.9097 0.256255 0.865327 0.501203 66 18 4 -0.9097 0.266492 0.865241 0.821737 67 19 4 -0.9097 0.803896 0.617714 0.508633 68 20 4 -0.9097 0.792029 0.614074 0.82855 71 23 4 -0.9097 0.771254 0.868265 0.662375 72 24 4 -0.9097 0.280816 0.618523 0.66902 75 27 3 -0.856 0.974211 0.941001 0.52846 76 28 3 -0.856 0.0932914 0.548214 0.523796 81 33 3 -0.856 0.472555 0.939422 0.370302 82 34 3 -0.856 0.462093 0.939424 0.681163 83 35 3 -0.856 0.584841 0.550596 0.368727 84 36 3 -0.856 0.599179 0.550765 0.682164 87 27 1 0.428 0.889175 0.910952 0.536624 88 28 1 0.428 0.179969 0.576515 0.534904 93 33 1 0.428 0.389697 0.908733 0.379716 94 34 1 0.428 0.380469 0.907626 0.687845 95 35 1 0.428 0.672383 0.57808 0.38087 96 36 1 0.428 0.684262 0.580557 0.691129 99 27 1 0.428 0.0340539 0.92841 0.495595 100 28 1 0.428 0.0429706 0.562558 0.488876 105 33 1 0.428 0.529913 0.927537 0.336055 106 34 1 0.428 0.527333 0.928852 0.64925 107 35 1 0.428 0.540425 0.564883 0.332039 108 36 1 0.428 0.548437 0.561652 0.64553 113 41 3 -0.856 0.471514 0.944566 0.501988 114 42 3 -0.856 0.481118 0.944098 0.812604 115 43 3 -0.856 0.563027 0.553503 0.495756 116 44 3 -0.856 0.5494 0.554963 0.81014 119 47 3 -0.856 0.982243 0.94551 0.657734 120 48 3 -0.856 0.0556851 0.552458 0.64865 125 41 1 0.428 0.540693 0.935063 0.532895 126 42 1 0.428 0.540647 0.932901 0.846504 127 43 1 0.428 0.498226 0.562499 0.528835 128 44 1 0.428 0.50438 0.565271 0.848696 131 47 1 0.428 0.0455626 0.933424 0.689615 132 48 1 0.428 0.997563 0.562933 0.683421 137 41 1 0.428 0.387996 0.912943 0.498652 138 42 1 0.428 0.395118 0.91399 0.805938 139 43 1 0.428 0.652574 0.582719 0.495084 140 44 1 0.428 0.642227 0.581486 0.80316 143 47 1 0.428 0.896827 0.915196 0.651167 144 48 1 0.428 0.145717 0.581138 0.644534 147 51 3 -0.856 0.212791 0.991867 0.58515 148 52 3 -0.856 0.817635 0.527773 0.570671 153 57 3 -0.856 0.707682 0.990896 0.430913 154 58 3 -0.856 0.707729 0.990905 0.737691 155 59 3 -0.856 0.316452 0.533475 0.417393 156 60 3 -0.856 0.316497 0.530757 0.726437 159 51 1 0.428 0.288855 0.968508 0.579375 160 52 1 0.428 0.827309 0.561243 0.543633 165 57 1 0.428 0.777494 0.965066 0.424081 166 58 1 0.428 0.777456 0.965051 0.730814 167 59 1 0.428 0.320398 0.566478 0.389959 168 60 1 0.428 0.327451 0.563086 0.697732 169 49 1 0.428 0.749289 0.969815 0.592048 172 52 1 0.428 0.71299 0.513392 0.578809 173 53 1 0.428 0.242913 0.967693 0.438495 174 54 1 0.428 0.240767 0.967426 0.743854 179 59 1 0.428 0.21398 0.519313 0.429534 180 60 1 0.428 0.212053 0.518709 0.73679 183 63 3 -0.856 0.121585 0.705969 0.552492 184 64 3 -0.856 0.916143 0.780812 0.541554 189 69 3 -0.856 0.612646 0.704055 0.391519 190 70 3 -0.856 0.63051 0.705543 0.709037 191 71 3 -0.856 0.42688 0.783848 0.380896 192 72 3 -0.856 0.412685 0.781338 0.69749 195 63 1 0.428 0.19708 0.682229 0.55628 196 64 1 0.428 0.845932 0.8069 0.544158 201 69 1 0.428 0.689145 0.681381 0.399202 202 70 1 0.428 0.701056 0.679502 0.709238 203 71 1 0.428 0.352577 0.807526 0.388649 204 72 1 0.428 0.344669 0.808386 0.697252 207 63 1 0.428 0.0645816 0.695399 0.514604 208 64 1 0.428 0.976 0.789477 0.504078 213 69 1 0.428 0.564408 0.692546 0.351835 214 70 1 0.428 0.570076 0.698862 0.671544 215 71 1 0.428 0.478515 0.795972 0.342071 216 72 1 0.428 0.473554 0.787 0.660048 221 77 3 -0.856 0.622938 0.718505 0.516973 222 78 3 -0.856 0.608028 0.714839 0.832378 223 79 3 -0.856 0.412878 0.789422 0.503273 224 80 3 -0.856 0.425301 0.790896 0.819073 227 83 3 -0.856 0.115457 0.716523 0.67382 228 84 3 -0.856 0.915245 0.789584 0.659536 233 77 1 0.428 0.544907 0.704921 0.547074 234 78 1 0.428 0.547377 0.700446 0.868309 235 79 1 0.428 0.466477 0.794704 0.542607 236 80 1 0.428 0.472902 0.801222 0.85916 239 83 1 0.428 0.0443886 0.702591 0.7066 240 84 1 0.428 0.9692 0.797015 0.698665 245 77 1 0.428 0.717094 0.711319 0.533228 246 78 1 0.428 0.710481 0.711214 0.840304 247 79 1 0.428 0.343481 0.815882 0.50145 248 80 1 0.428 0.351982 0.815001 0.811282 251 83 1 0.428 0.213107 0.709764 0.686093 252 84 1 0.428 0.844922 0.81556 0.65593 257 89 3 -0.856 0.674676 0.815307 0.440991 258 90 3 -0.856 0.675722 0.815647 0.757171 259 91 3 -0.856 0.355682 0.677636 0.446166 260 92 3 -0.856 0.355466 0.678445 0.760365 263 95 3 -0.856 0.171023 0.813252 0.597985 264 96 3 -0.856 0.856333 0.678349 0.60286 269 89 1 0.428 0.704996 0.834526 0.480231 270 90 1 0.428 0.716119 0.837296 0.793818 271 91 1 0.428 0.332333 0.658536 0.486052 272 92 1 0.428 0.326019 0.656618 0.798231 275 95 1 0.428 0.205168 0.833615 0.636147 276 96 1 0.428 0.830966 0.658432 0.642141 279 95 1 0.428 0.208371 0.836792 0.562278 280 96 1 0.428 0.833571 0.651283 0.568614 285 89 1 0.428 0.715211 0.839968 0.406467 286 90 1 0.428 0.708578 0.837615 0.719825 287 91 1 0.428 0.330512 0.649907 0.412579 288 92 1 0.428 0.336996 0.653064 0.724474 ITEM: TIMESTEP 204 ITEM: NUMBER OF ATOMS 288 ITEM: BOX BOUNDS xy xz yz pp pp pp -4.6661029999999997e+00 9.8937100000000004e+00 -4.6661029999999997e+00 0.0000000000000000e+00 2.5149094000000002e+01 0.0000000000000000e+00 0.0000000000000000e+00 2.3100000000000001e+01 0.0000000000000000e+00 ITEM: ATOMS id mol type q xs ys zs 179 59 1 0.428 0.206463 0.46971 0.447626 284 88 1 0.428 0.785513 0.322984 0.743657 7 7 2 2.0001 0.993216 0.24915 0.588136 9 9 2 2.0001 0.498414 0.249766 0.43422 10 10 2 2.0001 0.511829 0.254571 0.728134 13 13 5 1.6388 0.827209 0.132117 0.448091 14 14 5 1.6388 0.820923 0.118006 0.718391 15 15 5 1.6388 0.169195 0.365106 0.44542 16 16 5 1.6388 0.181812 0.373545 0.720938 21 21 5 1.6388 0.328379 0.134246 0.58507 22 22 5 1.6388 0.673439 0.37057 0.582669 25 21 4 -0.9097 0.244776 0.138767 0.63993 26 22 4 -0.9097 0.757715 0.366226 0.637724 29 13 4 -0.9097 0.747493 0.143102 0.502176 30 14 4 -0.9097 0.713169 0.128848 0.762418 31 15 4 -0.9097 0.254953 0.357924 0.499013 32 16 4 -0.9097 0.277966 0.365055 0.770664 37 13 4 -0.9097 0.962255 0.170127 0.444392 38 14 4 -0.9097 0.946887 0.160712 0.716934 39 15 4 -0.9097 0.0359011 0.32581 0.445853 40 16 4 -0.9097 0.0476865 0.334834 0.719416 45 21 4 -0.9097 0.455061 0.176699 0.584499 46 22 4 -0.9097 0.545215 0.328914 0.583251 49 13 4 -0.9097 0.855639 0.0761718 0.455501 50 14 4 -0.9097 0.863175 0.0646615 0.728866 51 15 4 -0.9097 0.137769 0.420801 0.450004 52 16 4 -0.9097 0.151329 0.429568 0.721091 57 21 4 -0.9097 0.376603 0.080937 0.584712 58 22 4 -0.9097 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