ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 288 ITEM: BOX BOUNDS xy xz yz pp pp pp -4.3424820000000004e+00 9.7510600000000007e+00 -4.3424820000000004e+00 0.0000000000000000e+00 2.4069413000000001e+01 0.0000000000000000e+00 0.0000000000000000e+00 2.6515979999999999e+01 0.0000000000000000e+00 ITEM: ATOMS id mol type q xs ys zs 3 3 2 2.0001 0.500018 2.12718e-05 0.372608 5 5 2 2.0001 0.500044 0.499978 0.372602 7 7 2 2.0001 0.999156 0.250201 0.476926 9 9 2 2.0001 0.499144 0.250192 0.349471 11 11 2 2.0001 0.500937 0.749797 0.395731 13 13 5 1.6388 0.849771 0.125734 0.353194 15 15 5 1.6388 0.148682 0.374657 0.353367 17 17 5 1.6388 0.150266 0.874281 0.391993 19 19 5 1.6388 0.851441 0.625349 0.391839 21 21 5 1.6388 0.349779 0.125731 0.480624 22 22 5 1.6388 0.648681 0.374648 0.48079 27 23 4 -0.9097 0.74102 0.861061 0.475494 28 24 4 -0.9097 0.260467 0.63853 0.475235 29 13 4 -0.9097 0.759091 0.138941 0.397155 31 15 4 -0.9097 0.239658 0.361484 0.397407 33 17 4 -0.9097 0.240979 0.861067 0.348042 35 19 4 -0.9097 0.760481 0.638511 0.347791 37 13 4 -0.9097 0.9761 0.170745 0.347084 39 15 4 -0.9097 0.0226021 0.329523 0.347083 41 17 4 -0.9097 0.023977 0.82925 0.398123 43 19 4 -0.9097 0.977526 0.670482 0.398118 45 21 4 -0.9097 0.476065 0.170771 0.474503 46 22 4 -0.9097 0.522588 0.329521 0.474513 49 13 4 -0.9097 0.904455 0.0731096 0.365615 51 15 4 -0.9097 0.0935848 0.427144 0.365786 53 17 4 -0.9097 0.0955274 0.926896 0.379566 55 19 4 -0.9097 0.906519 0.572855 0.379434 57 21 4 -0.9097 0.404509 0.0731172 0.493057 58 22 4 -0.9097 0.593618 0.427139 0.493214 61 13 4 -0.9097 0.768697 0.115825 0.303491 63 15 4 -0.9097 0.229413 0.384669 0.303723 65 17 4 -0.9097 0.231331 0.88419 0.441692 67 19 4 -0.9097 0.770686 0.615355 0.441476 69 21 4 -0.9097 0.268692 0.115811 0.43092 70 22 4 -0.9097 0.729396 0.384645 0.431145 75 27 3 -0.856 0.920854 0.940716 0.445915 76 28 3 -0.856 0.080552 0.558668 0.445772 77 29 3 -0.856 0.579199 0.0592717 0.426716 79 31 3 -0.856 0.419602 0.441328 0.42686 81 33 3 -0.856 0.420864 0.940725 0.318482 83 35 3 -0.856 0.580511 0.558663 0.318322 87 27 1 0.428 0.850773 0.905468 0.452127 88 28 1 0.428 0.150802 0.593929 0.451864 89 29 1 0.428 0.649316 0.0945007 0.420514 91 31 1 0.428 0.349365 0.406064 0.42078 93 33 1 0.428 0.350779 0.905468 0.324664 95 35 1 0.428 0.650772 0.593921 0.324419 99 27 1 0.428 0.976156 0.929314 0.416647 100 28 1 0.428 0.0249246 0.569944 0.41638 101 29 1 0.428 0.523935 0.0706847 0.455986 103 31 1 0.428 0.475204 0.430053 0.45625 105 33 1 0.428 0.476221 0.929348 0.289215 107 35 1 0.428 0.524889 0.569941 0.288928 109 37 3 -0.856 0.533582 0.060298 0.315225 111 39 3 -0.856 0.465715 0.439362 0.315524 113 41 3 -0.856 0.466462 0.9397 0.429962 115 43 3 -0.856 0.534427 0.560615 0.429675 117 45 3 -0.856 0.0335969 0.0602879 0.442625 118 46 3 -0.856 0.965665 0.439377 0.442951 121 37 1 0.428 0.478932 0.0665608 0.283044 123 39 1 0.428 0.519828 0.433327 0.283251 125 41 1 0.428 0.521106 0.933447 0.462144 127 43 1 0.428 0.480291 0.56666 0.461942 129 45 1 0.428 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177 57 1 0.428 0.794753 0.01037 0.363929 179 59 1 0.428 0.205082 0.491056 0.363743 183 63 3 -0.856 0.111827 0.711489 0.469486 184 64 3 -0.856 0.889841 0.788068 0.469311 185 65 3 -0.856 0.388273 0.288489 0.403152 187 67 3 -0.856 0.610206 0.211916 0.40332 189 69 3 -0.856 0.611782 0.711488 0.342057 191 71 3 -0.856 0.389846 0.788075 0.341884 195 63 1 0.428 0.175462 0.682548 0.471964 196 64 1 0.428 0.82631 0.816999 0.471916 197 65 1 0.428 0.32468 0.317439 0.400675 199 67 1 0.428 0.673765 0.182994 0.400744 201 69 1 0.428 0.675428 0.682553 0.344521 203 71 1 0.428 0.326285 0.816991 0.344471 207 63 1 0.428 0.0576584 0.694709 0.437509 208 64 1 0.428 0.943766 0.804915 0.437436 209 65 1 0.428 0.442467 0.305278 0.435118 211 67 1 0.428 0.556263 0.195086 0.435197 213 69 1 0.428 0.557596 0.694711 0.310081 215 71 1 0.428 0.443795 0.804934 0.31002 217 73 3 -0.856 0.394002 0.284692 0.291142 219 75 3 -0.856 0.604508 0.215732 0.291367 221 77 3 -0.856 0.606107 0.715312 0.454067 223 79 3 -0.856 0.395629 0.784273 0.453848 225 81 3 -0.856 0.894044 0.284692 0.418586 226 82 3 -0.856 0.104482 0.215722 0.418812 229 73 1 0.428 0.44706 0.302988 0.2598 231 75 1 0.428 0.55155 0.19739 0.259925 233 77 1 0.428 0.553033 0.697019 0.48541 235 79 1 0.428 0.448578 0.802636 0.485288 237 81 1 0.428 0.947091 0.303002 0.387248 238 82 1 0.428 0.0515296 0.197367 0.387373 241 73 1 0.428 0.299237 0.286784 0.278908 243 75 1 0.428 0.699307 0.213638 0.279357 245 77 1 0.428 0.700878 0.713229 0.466302 247 79 1 0.428 0.300832 0.786372 0.465859 249 81 1 0.428 0.799267 0.286774 0.406358 250 82 1 0.428 0.199268 0.213605 0.406808 253 85 3 -0.856 0.34132 0.178007 0.355217 255 87 3 -0.856 0.657363 0.322313 0.355366 257 89 3 -0.856 0.658802 0.821984 0.389949 259 91 3 -0.856 0.34274 0.677685 0.389836 261 93 3 -0.856 0.841309 0.178017 0.482673 262 94 3 -0.856 0.157358 0.322325 0.482798 265 85 1 0.428 0.303778 0.156426 0.323955 267 87 1 0.428 0.694892 0.343898 0.324176 269 89 1 0.428 0.696299 0.843553 0.421218 271 91 1 0.428 0.305192 0.656113 0.421031 273 93 1 0.428 0.803803 0.156441 0.451406 274 94 1 0.428 0.194907 0.343892 0.451598 279 95 1 0.428 0.19114 0.850891 0.490281 280 96 1 0.428 0.810694 0.648726 0.490121 281 85 1 0.428 0.308948 0.149114 0.382334 283 87 1 0.428 0.689387 0.351266 0.382522 285 89 1 0.428 0.691169 0.850893 0.36284 287 91 1 0.428 0.31069 0.648728 0.36269 1 1 2 2.0001 3.67707e-05 2.13134e-05 0.50002 2 2 2 2.0001 3.00419e-05 0.499991 0.500053 4 4 2 2.0001 0.500018 2.12718e-05 0.627473 6 6 2 2.0001 0.500044 0.499978 0.627466 8 8 2 2.0001 0.000957899 0.749796 0.523153 10 10 2 2.0001 0.499144 0.250192 0.604336 12 12 2 2.0001 0.500937 0.749797 0.650596 14 14 5 1.6388 0.849771 0.125734 0.608058 16 16 5 1.6388 0.148682 0.374657 0.608232 18 18 5 1.6388 0.150266 0.874281 0.646857 20 20 5 1.6388 0.851441 0.625349 0.646703 23 23 5 1.6388 0.6503 0.874282 0.519437 24 24 5 1.6388 0.35143 0.625353 0.519277 25 21 4 -0.9097 0.259059 0.138937 0.524579 26 22 4 -0.9097 0.739641 0.361474 0.524829 30 14 4 -0.9097 0.759091 0.138941 0.652019 32 16 4 -0.9097 0.239658 0.361484 0.652272 34 18 4 -0.9097 0.240979 0.861067 0.602907 36 20 4 -0.9097 0.760481 0.638511 0.602656 38 14 4 -0.9097 0.9761 0.170745 0.601949 40 16 4 -0.9097 0.0226021 0.329523 0.601948 42 18 4 -0.9097 0.023977 0.82925 0.652988 44 20 4 -0.9097 0.977526 0.670482 0.652982 47 23 4 -0.9097 0.524008 0.829255 0.525566 48 24 4 -0.9097 0.477503 0.670488 0.525557 50 14 4 -0.9097 0.904455 0.0731096 0.620479 52 16 4 -0.9097 0.0935848 0.427144 0.620651 54 18 4 -0.9097 0.0955274 0.926896 0.634431 56 20 4 -0.9097 0.906519 0.572855 0.634299 59 23 4 -0.9097 0.595576 0.9269 0.507002 60 24 4 -0.9097 0.406525 0.572863 0.50685 62 14 4 -0.9097 0.768697 0.115825 0.558355 64 16 4 -0.9097 0.229413 0.384669 0.558588 66 18 4 -0.9097 0.231331 0.88419 0.696557 68 20 4 -0.9097 0.770686 0.615355 0.69634 71 23 4 -0.9097 0.731362 0.8842 0.569142 72 24 4 -0.9097 0.270685 0.615341 0.568921 73 25 3 -0.856 0.0791533 0.0592935 0.55412 74 26 3 -0.856 0.91957 0.441322 0.554295 78 30 3 -0.856 0.579199 0.0592717 0.681581 80 32 3 -0.856 0.419602 0.441328 0.681725 82 34 3 -0.856 0.420864 0.940725 0.573347 84 36 3 -0.856 0.580511 0.558663 0.573187 85 25 1 0.428 0.149286 0.0945375 0.547952 86 26 1 0.428 0.849323 0.406065 0.54821 90 30 1 0.428 0.649316 0.0945007 0.675378 92 32 1 0.428 0.349365 0.406064 0.675644 94 34 1 0.428 0.350779 0.905468 0.579529 96 36 1 0.428 0.650772 0.593921 0.579284 97 25 1 0.428 0.0238746 0.0706718 0.583397 98 26 1 0.428 0.975163 0.430049 0.58369 102 30 1 0.428 0.523935 0.0706847 0.710851 104 32 1 0.428 0.475204 0.430053 0.711115 106 34 1 0.428 0.476221 0.929348 0.54408 108 36 1 0.428 0.524889 0.569941 0.543793 110 38 3 -0.856 0.533582 0.060298 0.57009 112 40 3 -0.856 0.465715 0.439362 0.570388 114 42 3 -0.856 0.466462 0.9397 0.684827 116 44 3 -0.856 0.534427 0.560615 0.68454 119 47 3 -0.856 0.966387 0.939739 0.557415 120 48 3 -0.856 0.0344029 0.560609 0.557121 122 38 1 0.428 0.478932 0.0665608 0.537909 124 40 1 0.428 0.519828 0.433327 0.538116 126 42 1 0.428 0.521106 0.933447 0.717009 128 44 1 0.428 0.480291 0.56666 0.716806 131 47 1 0.428 0.021036 0.933483 0.589595 132 48 1 0.428 0.980284 0.566648 0.58939 134 38 1 0.428 0.622286 0.0882668 0.562644 136 40 1 0.428 0.376705 0.411582 0.562851 138 42 1 0.428 0.377731 0.911746 0.692287 140 44 1 0.428 0.623444 0.588396 0.692081 143 47 1 0.428 0.877654 0.911771 0.564862 144 48 1 0.428 0.12341 0.588391 0.564657 145 49 3 -0.856 0.795304 0.0169762 0.51109 146 50 3 -0.856 0.204039 0.482384 0.511506 150 54 3 -0.856 0.295324 0.0169571 0.638542 152 56 3 -0.856 0.704067 0.482402 0.638936 154 58 3 -0.856 0.704724 0.983057 0.61639 156 60 3 -0.856 0.296057 0.517599 0.615989 157 49 1 0.428 0.761985 0.049319 0.526661 158 50 1 0.428 0.235569 0.449734 0.527415 162 54 1 0.428 0.261998 0.0492993 0.654124 164 56 1 0.428 0.735606 0.449751 0.65483 166 58 1 0.428 0.738038 0.950708 0.600818 168 60 1 0.428 0.264512 0.550251 0.600084 169 49 1 0.428 0.705264 0.989672 0.508687 170 50 1 0.428 0.295029 0.508913 0.50889 174 54 1 0.428 0.2053 0.989649 0.636151 176 56 1 0.428 0.795045 0.508947 0.636337 178 58 1 0.428 0.794753 0.01037 0.618794 180 60 1 0.428 0.205082 0.491056 0.618608 181 61 3 -0.856 0.888282 0.288493 0.530596 182 62 3 -0.856 0.110235 0.211932 0.530767 186 66 3 -0.856 0.388273 0.288489 0.658017 188 68 3 -0.856 0.610206 0.211916 0.658185 190 70 3 -0.856 0.611782 0.711488 0.596922 192 72 3 -0.856 0.389846 0.788075 0.596749 193 61 1 0.428 0.824686 0.317444 0.528112 194 62 1 0.428 0.173773 0.183005 0.528166 198 66 1 0.428 0.32468 0.317439 0.65554 200 68 1 0.428 0.673765 0.182994 0.655609 202 70 1 0.428 0.675428 0.682553 0.599386 204 72 1 0.428 0.326285 0.816991 0.599336 205 61 1 0.428 0.942475 0.305284 0.562563 206 62 1 0.428 0.0563088 0.195088 0.56264 210 66 1 0.428 0.442467 0.305278 0.689983 212 68 1 0.428 0.556263 0.195086 0.690061 214 70 1 0.428 0.557596 0.694711 0.564946 216 72 1 0.428 0.443795 0.804934 0.564885 218 74 3 -0.856 0.394002 0.284692 0.546007 220 76 3 -0.856 0.604508 0.215732 0.546232 222 78 3 -0.856 0.606107 0.715312 0.708932 224 80 3 -0.856 0.395629 0.784273 0.708713 227 83 3 -0.856 0.106117 0.715294 0.581481 228 84 3 -0.856 0.8956 0.784232 0.581269 230 74 1 0.428 0.44706 0.302988 0.514664 232 76 1 0.428 0.55155 0.19739 0.51479 234 78 1 0.428 0.553033 0.697019 0.740274 236 80 1 0.428 0.448578 0.802636 0.740152 239 83 1 0.428 0.0530547 0.697005 0.612824 240 84 1 0.428 0.948546 0.802612 0.612696 242 74 1 0.428 0.299237 0.286784 0.533772 244 76 1 0.428 0.699307 0.213638 0.534222 246 78 1 0.428 0.700878 0.713229 0.721167 248 80 1 0.428 0.300832 0.786372 0.720724 251 83 1 0.428 0.20088 0.713201 0.593714 252 84 1 0.428 0.800801 0.78632 0.593282 254 86 3 -0.856 0.34132 0.178007 0.610082 256 88 3 -0.856 0.657363 0.322313 0.610231 258 90 3 -0.856 0.658802 0.821984 0.644814 260 92 3 -0.856 0.34274 0.677685 0.644701 263 95 3 -0.856 0.15882 0.82198 0.517387 264 96 3 -0.856 0.842743 0.67768 0.51727 266 86 1 0.428 0.303778 0.156426 0.57882 268 88 1 0.428 0.694892 0.343898 0.579041 270 90 1 0.428 0.696299 0.843553 0.676083 272 92 1 0.428 0.305192 0.656113 0.675896 275 95 1 0.428 0.196287 0.843567 0.548654 276 96 1 0.428 0.805205 0.656109 0.548469 277 93 1 0.428 0.808921 0.149113 0.509783 278 94 1 0.428 0.189408 0.351286 0.509942 282 86 1 0.428 0.308948 0.149114 0.637198 284 88 1 0.428 0.689387 0.351266 0.637387 286 90 1 0.428 0.691169 0.850893 0.617705 288 92 1 0.428 0.31069 0.648728 0.617554 ITEM: TIMESTEP 299 ITEM: NUMBER OF ATOMS 288 ITEM: BOX BOUNDS xy xz yz pp pp pp -4.3424820000000004e+00 9.7510600000000007e+00 -4.3424820000000004e+00 0.0000000000000000e+00 2.4069413000000001e+01 0.0000000000000000e+00 0.0000000000000000e+00 2.6515979999999999e+01 0.0000000000000000e+00 ITEM: ATOMS id mol type q xs ys zs 3 3 2 2.0001 0.552512 0.00498592 0.369904 5 5 2 2.0001 0.447494 0.495029 0.369925 7 7 2 2.0001 -7.75066e-05 0.25003 0.501871 9 9 2 2.0001 0.499894 0.24999 0.352785 11 11 2 2.0001 0.500057 0.750011 0.389182 13 13 5 1.6388 0.868523 0.140594 0.369201 15 15 5 1.6388 0.131416 0.359417 0.369274 17 17 5 1.6388 0.191826 0.894363 0.391371 19 19 5 1.6388 0.808341 0.605659 0.391305 21 21 5 1.6388 0.350325 0.130868 0.486432 22 22 5 1.6388 0.649595 0.369176 0.486524 27 23 4 -0.9097 0.730873 0.862615 0.46524 28 24 4 -0.9097 0.269347 0.63737 0.465189 29 13 4 -0.9097 0.789877 0.153053 0.416724 31 15 4 -0.9097 0.210114 0.34702 0.4168 33 17 4 -0.9097 0.281542 0.863903 0.357758 35 19 4 -0.9097 0.718595 0.636119 0.357695 37 13 4 -0.9097 0.011143 0.177161 0.366792 39 15 4 -0.9097 0.988768 0.322869 0.366941 41 17 4 -0.9097 0.0408735 0.867201 0.397897 43 19 4 -0.9097 0.959315 0.632827 0.397809 45 21 4 -0.9097 0.479882 0.174441 0.485058 46 22 4 -0.9097 0.520061 0.325597 0.485105 49 13 4 -0.9097 0.887775 0.0808214 0.374888 51 15 4 -0.9097 0.112232 0.419209 0.374892 53 17 4 -0.9097 0.20009 0.952171 0.371774 55 19 4 -0.9097 0.80008 0.547855 0.371722 57 21 4 -0.9097 0.395084 0.0744087 0.487194 58 22 4 -0.9097 0.60484 0.425635 0.487302 61 13 4 -0.9097 0.770374 0.144375 0.324775 63 15 4 -0.9097 0.229471 0.355545 0.32484 65 17 4 -0.9097 0.258996 0.900925 0.443856 67 19 4 -0.9097 0.741255 0.599116 0.443806 69 21 4 -0.9097 0.25869 0.136738 0.440862 70 22 4 -0.9097 0.741207 0.363353 0.440936 75 27 3 -0.856 0.923372 0.937829 0.443452 76 28 3 -0.856 0.076701 0.562186 0.443469 77 29 3 -0.856 0.592889 0.0683909 0.424285 79 31 3 -0.856 0.406999 0.431683 0.424366 81 33 3 -0.856 0.482104 0.931177 0.324375 83 35 3 -0.856 0.517899 0.568808 0.324329 87 27 1 0.428 0.841356 0.906521 0.452053 88 28 1 0.428 0.158744 0.593493 0.452033 89 29 1 0.428 0.666829 0.102727 0.427757 91 31 1 0.428 0.333002 0.397361 0.427825 93 33 1 0.428 0.398499 0.903199 0.338346 95 35 1 0.428 0.60161 0.59676 0.33824 99 27 1 0.428 0.974111 0.913098 0.421767 100 28 1 0.428 0.0260013 0.5869 0.421754 101 29 1 0.428 0.525667 0.0753828 0.451612 103 31 1 0.428 0.474158 0.424679 0.451703 105 33 1 0.428 0.470947 0.918637 0.289209 107 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