ITEM: TIMESTEP 0 ITEM: NUMBER OF ATOMS 480 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 3.3273969999999998e+01 0.0000000000000000e+00 ITEM: ATOMS id mol type q xs ys zs 1 1 2 2.0001 3.67707e-05 2.13134e-05 0.398466 3 3 2 2.0001 3.00419e-05 0.499991 0.398492 5 5 2 2.0001 0.500018 2.12718e-05 0.296931 8 8 2 2.0001 0.500044 0.499978 0.296926 11 11 2 2.0001 0.999156 0.250201 0.380062 13 13 2 2.0001 0.000957899 0.749796 0.4169 15 15 2 2.0001 0.499144 0.250192 0.278493 16 16 2 2.0001 0.499144 0.250192 0.481595 18 18 2 2.0001 0.500937 0.749797 0.315358 21 21 5 1.6388 0.849771 0.125734 0.281459 22 22 5 1.6388 0.849771 0.125734 0.484561 24 24 5 1.6388 0.148682 0.374657 0.281598 25 25 5 1.6388 0.148682 0.374657 0.484699 27 27 5 1.6388 0.150266 0.874281 0.312378 30 30 5 1.6388 0.851441 0.625349 0.312256 33 33 5 1.6388 0.349779 0.125731 0.383009 35 35 5 1.6388 0.648681 0.374648 0.383141 37 37 5 1.6388 0.6503 0.874282 0.413939 39 39 5 1.6388 0.35143 0.625353 0.413811 41 33 4 -0.9097 0.259059 0.138937 0.418036 43 35 4 -0.9097 0.739641 0.361474 0.418236 45 37 4 -0.9097 0.74102 0.861061 0.37892 47 39 4 -0.9097 0.260467 0.63853 0.378714 49 21 4 -0.9097 0.759091 0.138941 0.316492 52 24 4 -0.9097 0.239658 0.361484 0.316693 55 27 4 -0.9097 0.240979 0.861067 0.277354 56 28 4 -0.9097 0.240979 0.861067 0.480455 58 30 4 -0.9097 0.760481 0.638511 0.277154 59 31 4 -0.9097 0.760481 0.638511 0.480256 61 21 4 -0.9097 0.9761 0.170745 0.276591 62 22 4 -0.9097 0.9761 0.170745 0.479693 64 24 4 -0.9097 0.0226021 0.329523 0.27659 65 25 4 -0.9097 0.0226021 0.329523 0.479691 67 27 4 -0.9097 0.023977 0.82925 0.317264 70 30 4 -0.9097 0.977526 0.670482 0.317259 73 33 4 -0.9097 0.476065 0.170771 0.37813 75 35 4 -0.9097 0.522588 0.329521 0.378139 77 37 4 -0.9097 0.524008 0.829255 0.418823 79 39 4 -0.9097 0.477503 0.670488 0.418816 81 21 4 -0.9097 0.904455 0.0731096 0.291358 82 22 4 -0.9097 0.904455 0.0731096 0.494459 84 24 4 -0.9097 0.0935848 0.427144 0.291494 85 25 4 -0.9097 0.0935848 0.427144 0.494596 87 27 4 -0.9097 0.0955274 0.926896 0.302476 90 30 4 -0.9097 0.906519 0.572855 0.302371 93 33 4 -0.9097 0.404509 0.0731172 0.392917 95 35 4 -0.9097 0.593618 0.427139 0.393042 97 37 4 -0.9097 0.595576 0.9269 0.404029 99 39 4 -0.9097 0.406525 0.572863 0.403908 101 21 4 -0.9097 0.768697 0.115825 0.241851 102 22 4 -0.9097 0.768697 0.115825 0.444953 104 24 4 -0.9097 0.229413 0.384669 0.242036 105 25 4 -0.9097 0.229413 0.384669 0.445138 107 27 4 -0.9097 0.231331 0.88419 0.351984 110 30 4 -0.9097 0.770686 0.615355 0.351811 113 33 4 -0.9097 0.268692 0.115811 0.3434 115 35 4 -0.9097 0.729396 0.384645 0.343579 117 37 4 -0.9097 0.731362 0.8842 0.453548 119 39 4 -0.9097 0.270685 0.615341 0.453372 121 41 3 -0.856 0.0791533 0.0592935 0.441577 123 43 3 -0.856 0.91957 0.441322 0.441717 125 45 3 -0.856 0.920854 0.940716 0.355349 127 47 3 -0.856 0.080552 0.558668 0.355235 129 49 3 -0.856 0.579199 0.0592717 0.340049 132 52 3 -0.856 0.419602 0.441328 0.340164 135 55 3 -0.856 0.420864 0.940725 0.253798 136 56 3 -0.856 0.420864 0.940725 0.456899 138 58 3 -0.856 0.580511 0.558663 0.253671 139 59 3 -0.856 0.580511 0.558663 0.456772 141 41 1 0.428 0.149286 0.0945375 0.436662 143 43 1 0.428 0.849323 0.406065 0.436868 145 45 1 0.428 0.850773 0.905468 0.360299 147 47 1 0.428 0.150802 0.593929 0.36009 149 49 1 0.428 0.649316 0.0945007 0.335107 152 52 1 0.428 0.349365 0.406064 0.335319 155 55 1 0.428 0.350779 0.905468 0.258724 156 56 1 0.428 0.350779 0.905468 0.461825 158 58 1 0.428 0.650772 0.593921 0.258529 159 59 1 0.428 0.650772 0.593921 0.46163 161 41 1 0.428 0.0238746 0.0706718 0.464908 163 43 1 0.428 0.975163 0.430049 0.465142 165 45 1 0.428 0.976156 0.929314 0.332026 167 47 1 0.428 0.0249246 0.569944 0.331813 169 49 1 0.428 0.523935 0.0706847 0.363375 172 52 1 0.428 0.475204 0.430053 0.363585 175 55 1 0.428 0.476221 0.929348 0.230475 176 56 1 0.428 0.476221 0.929348 0.433576 178 58 1 0.428 0.524889 0.569941 0.230246 179 59 1 0.428 0.524889 0.569941 0.433348 181 61 3 -0.856 0.533582 0.060298 0.251202 182 62 3 -0.856 0.533582 0.060298 0.454304 184 64 3 -0.856 0.465715 0.439362 0.25144 185 65 3 -0.856 0.465715 0.439362 0.454542 187 67 3 -0.856 0.466462 0.9397 0.342636 190 70 3 -0.856 0.534427 0.560615 0.342408 193 73 3 -0.856 0.0335969 0.0602879 0.352727 195 75 3 -0.856 0.965665 0.439377 0.352987 197 77 3 -0.856 0.966387 0.939739 0.444203 199 79 3 -0.856 0.0344029 0.560609 0.443969 201 61 1 0.428 0.478932 0.0665608 0.225557 202 62 1 0.428 0.478932 0.0665608 0.428659 204 64 1 0.428 0.519828 0.433327 0.225723 205 65 1 0.428 0.519828 0.433327 0.428824 207 67 1 0.428 0.521106 0.933447 0.368282 210 70 1 0.428 0.480291 0.56666 0.368121 213 73 1 0.428 0.97895 0.0665384 0.32708 215 75 1 0.428 0.019796 0.433346 0.32727 217 77 1 0.428 0.021036 0.933483 0.469848 219 79 1 0.428 0.980284 0.566648 0.469684 221 61 1 0.428 0.622286 0.0882668 0.245269 222 62 1 0.428 0.622286 0.0882668 0.44837 224 64 1 0.428 0.376705 0.411582 0.245434 225 65 1 0.428 0.376705 0.411582 0.448535 227 67 1 0.428 0.377731 0.911746 0.348581 230 70 1 0.428 0.623444 0.588396 0.348417 233 73 1 0.428 0.122296 0.0882703 0.346801 235 75 1 0.428 0.876661 0.411592 0.346976 237 77 1 0.428 0.877654 0.911771 0.450138 239 79 1 0.428 0.12341 0.588391 0.449975 241 81 3 -0.856 0.795304 0.0169762 0.407287 243 83 3 -0.856 0.204039 0.482384 0.407618 245 85 3 -0.856 0.204694 0.983043 0.389647 247 87 3 -0.856 0.79607 0.517616 0.389339 249 89 3 -0.856 0.295324 0.0169571 0.305752 252 92 3 -0.856 0.704067 0.482402 0.306066 255 95 3 -0.856 0.704724 0.983057 0.288099 256 96 3 -0.856 0.704724 0.983057 0.491201 258 98 3 -0.856 0.296057 0.517599 0.28778 259 99 3 -0.856 0.296057 0.517599 0.490881 261 81 1 0.428 0.761985 0.049319 0.419695 263 83 1 0.428 0.235569 0.449734 0.420296 265 85 1 0.428 0.238007 0.950697 0.377236 267 87 1 0.428 0.764544 0.550263 0.376658 269 89 1 0.428 0.261998 0.0492993 0.318169 272 92 1 0.428 0.735606 0.449751 0.318731 275 95 1 0.428 0.738038 0.950708 0.27569 276 96 1 0.428 0.738038 0.950708 0.478791 278 98 1 0.428 0.264512 0.550251 0.275105 279 99 1 0.428 0.264512 0.550251 0.478206 281 81 1 0.428 0.705264 0.989672 0.405372 283 83 1 0.428 0.295029 0.508913 0.405534 285 85 1 0.428 0.294723 0.01035 0.391558 287 87 1 0.428 0.705096 0.491074 0.391421 289 89 1 0.428 0.2053 0.989649 0.303846 292 92 1 0.428 0.795045 0.508947 0.303994 295 95 1 0.428 0.794753 0.01037 0.290015 296 96 1 0.428 0.794753 0.01037 0.493116 298 98 1 0.428 0.205082 0.491056 0.289866 299 99 1 0.428 0.205082 0.491056 0.492968 301 101 3 -0.856 0.888282 0.288493 0.422831 303 103 3 -0.856 0.110235 0.211932 0.422967 305 105 3 -0.856 0.111827 0.711489 0.374132 307 107 3 -0.856 0.889841 0.788068 0.373993 309 109 3 -0.856 0.388273 0.288489 0.321272 312 112 3 -0.856 0.610206 0.211916 0.321405 315 115 3 -0.856 0.611782 0.711488 0.272585 316 116 3 -0.856 0.611782 0.711488 0.475686 318 118 3 -0.856 0.389846 0.788075 0.272447 319 119 3 -0.856 0.389846 0.788075 0.475548 321 101 1 0.428 0.824686 0.317444 0.420851 323 103 1 0.428 0.173773 0.183005 0.420895 325 105 1 0.428 0.175462 0.682548 0.376108 327 107 1 0.428 0.82631 0.816999 0.376069 329 109 1 0.428 0.32468 0.317439 0.319298 332 112 1 0.428 0.673765 0.182994 0.319352 335 115 1 0.428 0.675428 0.682553 0.274549 336 116 1 0.428 0.675428 0.682553 0.47765 338 118 1 0.428 0.326285 0.816991 0.274509 339 119 1 0.428 0.326285 0.816991 0.47761 341 101 1 0.428 0.942475 0.305284 0.448306 343 103 1 0.428 0.0563088 0.195088 0.448367 345 105 1 0.428 0.0576584 0.694709 0.348651 347 107 1 0.428 0.943766 0.804915 0.348592 349 109 1 0.428 0.442467 0.305278 0.346745 352 112 1 0.428 0.556263 0.195086 0.346808 355 115 1 0.428 0.557596 0.694711 0.247103 356 116 1 0.428 0.557596 0.694711 0.450205 358 118 1 0.428 0.443795 0.804934 0.247055 359 119 1 0.428 0.443795 0.804934 0.450156 361 121 3 -0.856 0.394002 0.284692 0.232011 362 122 3 -0.856 0.394002 0.284692 0.435112 364 124 3 -0.856 0.604508 0.215732 0.23219 365 125 3 -0.856 0.604508 0.215732 0.435291 367 127 3 -0.856 0.606107 0.715312 0.361845 370 130 3 -0.856 0.395629 0.784273 0.361671 373 133 3 -0.856 0.894044 0.284692 0.333571 375 135 3 -0.856 0.104482 0.215722 0.333751 377 137 3 -0.856 0.106117 0.715294 0.463381 379 139 3 -0.856 0.8956 0.784232 0.463212 381 121 1 0.428 0.44706 0.302988 0.207034 382 122 1 0.428 0.44706 0.302988 0.410135 384 124 1 0.428 0.55155 0.19739 0.207134 385 125 1 0.428 0.55155 0.19739 0.410236 387 127 1 0.428 0.553033 0.697019 0.386822 390 130 1 0.428 0.448578 0.802636 0.386725 393 133 1 0.428 0.947091 0.303002 0.308597 395 135 1 0.428 0.0515296 0.197367 0.308697 397 137 1 0.428 0.0530547 0.697005 0.488358 399 139 1 0.428 0.948546 0.802612 0.488256 401 121 1 0.428 0.299237 0.286784 0.222261 402 122 1 0.428 0.299237 0.286784 0.425362 404 124 1 0.428 0.699307 0.213638 0.222619 405 125 1 0.428 0.699307 0.213638 0.425721 407 127 1 0.428 0.700878 0.713229 0.371595 410 130 1 0.428 0.300832 0.786372 0.371242 413 133 1 0.428 0.799267 0.286774 0.323826 415 135 1 0.428 0.199268 0.213605 0.324185 417 137 1 0.428 0.20088 0.713201 0.47313 419 139 1 0.428 0.800801 0.78632 0.472786 421 141 3 -0.856 0.34132 0.178007 0.283072 422 142 3 -0.856 0.34132 0.178007 0.486173 424 144 3 -0.856 0.657363 0.322313 0.283191 425 145 3 -0.856 0.657363 0.322313 0.486292 427 147 3 -0.856 0.658802 0.821984 0.31075 430 150 3 -0.856 0.34274 0.677685 0.31066 433 153 3 -0.856 0.841309 0.178017 0.384642 435 155 3 -0.856 0.157358 0.322325 0.384741 437 157 3 -0.856 0.15882 0.82198 0.412305 439 159 3 -0.856 0.842743 0.67768 0.412212 441 141 1 0.428 0.303778 0.156426 0.258159 442 142 1 0.428 0.303778 0.156426 0.461261 444 144 1 0.428 0.694892 0.343898 0.258335 445 145 1 0.428 0.694892 0.343898 0.461437 447 147 1 0.428 0.696299 0.843553 0.335668 450 150 1 0.428 0.305192 0.656113 0.335519 453 153 1 0.428 0.803803 0.156441 0.359725 455 155 1 0.428 0.194907 0.343892 0.359878 457 157 1 0.428 0.196287 0.843567 0.437222 459 159 1 0.428 0.805205 0.656109 0.437075 461 153 1 0.428 0.808921 0.149113 0.406245 463 155 1 0.428 0.189408 0.351286 0.406372 465 157 1 0.428 0.19114 0.850891 0.390704 467 159 1 0.428 0.810694 0.648726 0.390577 469 141 1 0.428 0.308948 0.149114 0.304681 472 144 1 0.428 0.689387 0.351266 0.304832 475 147 1 0.428 0.691169 0.850893 0.289147 476 148 1 0.428 0.691169 0.850893 0.492248 478 150 1 0.428 0.31069 0.648728 0.289027 479 151 1 0.428 0.31069 0.648728 0.492128 2 2 2 2.0001 3.67707e-05 2.13134e-05 0.601567 4 4 2 2.0001 3.00419e-05 0.499991 0.601593 6 6 2 2.0001 0.500018 2.12718e-05 0.500032 7 7 2 2.0001 0.500018 2.12718e-05 0.703134 9 9 2 2.0001 0.500044 0.499978 0.500027 10 10 2 2.0001 0.500044 0.499978 0.703128 12 12 2 2.0001 0.999156 0.250201 0.583163 14 14 2 2.0001 0.000957899 0.749796 0.620001 17 17 2 2.0001 0.499144 0.250192 0.684696 19 19 2 2.0001 0.500937 0.749797 0.518459 20 20 2 2.0001 0.500937 0.749797 0.72156 23 23 5 1.6388 0.849771 0.125734 0.687662 26 26 5 1.6388 0.148682 0.374657 0.6878 28 28 5 1.6388 0.150266 0.874281 0.51548 29 29 5 1.6388 0.150266 0.874281 0.718581 31 31 5 1.6388 0.851441 0.625349 0.515357 32 32 5 1.6388 0.851441 0.625349 0.718459 34 34 5 1.6388 0.349779 0.125731 0.58611 36 36 5 1.6388 0.648681 0.374648 0.586242 38 38 5 1.6388 0.6503 0.874282 0.61704 40 40 5 1.6388 0.35143 0.625353 0.616912 42 34 4 -0.9097 0.259059 0.138937 0.621138 44 36 4 -0.9097 0.739641 0.361474 0.621337 46 38 4 -0.9097 0.74102 0.861061 0.582022 48 40 4 -0.9097 0.260467 0.63853 0.581816 50 22 4 -0.9097 0.759091 0.138941 0.519593 51 23 4 -0.9097 0.759091 0.138941 0.722695 53 25 4 -0.9097 0.239658 0.361484 0.519794 54 26 4 -0.9097 0.239658 0.361484 0.722896 57 29 4 -0.9097 0.240979 0.861067 0.683557 60 32 4 -0.9097 0.760481 0.638511 0.683357 63 23 4 -0.9097 0.9761 0.170745 0.682794 66 26 4 -0.9097 0.0226021 0.329523 0.682793 68 28 4 -0.9097 0.023977 0.82925 0.520365 69 29 4 -0.9097 0.023977 0.82925 0.723467 71 31 4 -0.9097 0.977526 0.670482 0.520361 72 32 4 -0.9097 0.977526 0.670482 0.723462 74 34 4 -0.9097 0.476065 0.170771 0.581232 76 36 4 -0.9097 0.522588 0.329521 0.58124 78 38 4 -0.9097 0.524008 0.829255 0.621924 80 40 4 -0.9097 0.477503 0.670488 0.621917 83 23 4 -0.9097 0.904455 0.0731096 0.697561 86 26 4 -0.9097 0.0935848 0.427144 0.697697 88 28 4 -0.9097 0.0955274 0.926896 0.505577 89 29 4 -0.9097 0.0955274 0.926896 0.708679 91 31 4 -0.9097 0.906519 0.572855 0.505472 92 32 4 -0.9097 0.906519 0.572855 0.708573 94 34 4 -0.9097 0.404509 0.0731172 0.596018 96 36 4 -0.9097 0.593618 0.427139 0.596143 98 38 4 -0.9097 0.595576 0.9269 0.607131 100 40 4 -0.9097 0.406525 0.572863 0.607009 103 23 4 -0.9097 0.768697 0.115825 0.648054 106 26 4 -0.9097 0.229413 0.384669 0.648239 108 28 4 -0.9097 0.231331 0.88419 0.555085 109 29 4 -0.9097 0.231331 0.88419 0.758187 111 31 4 -0.9097 0.770686 0.615355 0.554913 112 32 4 -0.9097 0.770686 0.615355 0.758014 114 34 4 -0.9097 0.268692 0.115811 0.546501 116 36 4 -0.9097 0.729396 0.384645 0.54668 118 38 4 -0.9097 0.731362 0.8842 0.65665 120 40 4 -0.9097 0.270685 0.615341 0.656474 122 42 3 -0.856 0.0791533 0.0592935 0.644678 124 44 3 -0.856 0.91957 0.441322 0.644819 126 46 3 -0.856 0.920854 0.940716 0.558451 128 48 3 -0.856 0.080552 0.558668 0.558336 130 50 3 -0.856 0.579199 0.0592717 0.543151 131 51 3 -0.856 0.579199 0.0592717 0.746252 133 53 3 -0.856 0.419602 0.441328 0.543265 134 54 3 -0.856 0.419602 0.441328 0.746367 137 57 3 -0.856 0.420864 0.940725 0.660001 140 60 3 -0.856 0.580511 0.558663 0.659873 142 42 1 0.428 0.149286 0.0945375 0.639764 144 44 1 0.428 0.849323 0.406065 0.639969 146 46 1 0.428 0.850773 0.905468 0.563401 148 48 1 0.428 0.150802 0.593929 0.563191 150 50 1 0.428 0.649316 0.0945007 0.538208 151 51 1 0.428 0.649316 0.0945007 0.741309 153 53 1 0.428 0.349365 0.406064 0.53842 154 54 1 0.428 0.349365 0.406064 0.741521 157 57 1 0.428 0.350779 0.905468 0.664927 160 60 1 0.428 0.650772 0.593921 0.664732 162 42 1 0.428 0.0238746 0.0706718 0.66801 164 44 1 0.428 0.975163 0.430049 0.668243 166 46 1 0.428 0.976156 0.929314 0.535127 168 48 1 0.428 0.0249246 0.569944 0.534914 170 50 1 0.428 0.523935 0.0706847 0.566476 171 51 1 0.428 0.523935 0.0706847 0.769578 173 53 1 0.428 0.475204 0.430053 0.566687 174 54 1 0.428 0.475204 0.430053 0.769788 177 57 1 0.428 0.476221 0.929348 0.636678 180 60 1 0.428 0.524889 0.569941 0.636449 183 63 3 -0.856 0.533582 0.060298 0.657405 186 66 3 -0.856 0.465715 0.439362 0.657643 188 68 3 -0.856 0.466462 0.9397 0.545738 189 69 3 -0.856 0.466462 0.9397 0.748839 191 71 3 -0.856 0.534427 0.560615 0.545509 192 72 3 -0.856 0.534427 0.560615 0.74861 194 74 3 -0.856 0.0335969 0.0602879 0.555829 196 76 3 -0.856 0.965665 0.439377 0.556088 198 78 3 -0.856 0.966387 0.939739 0.647304 200 80 3 -0.856 0.0344029 0.560609 0.647071 203 63 1 0.428 0.478932 0.0665608 0.63176 206 66 1 0.428 0.519828 0.433327 0.631925 208 68 1 0.428 0.521106 0.933447 0.571383 209 69 1 0.428 0.521106 0.933447 0.774485 211 71 1 0.428 0.480291 0.56666 0.571222 212 72 1 0.428 0.480291 0.56666 0.774323 214 74 1 0.428 0.97895 0.0665384 0.530181 216 76 1 0.428 0.019796 0.433346 0.530371 218 78 1 0.428 0.021036 0.933483 0.672949 220 80 1 0.428 0.980284 0.566648 0.672785 223 63 1 0.428 0.622286 0.0882668 0.651472 226 66 1 0.428 0.376705 0.411582 0.651637 228 68 1 0.428 0.377731 0.911746 0.551682 229 69 1 0.428 0.377731 0.911746 0.754784 231 71 1 0.428 0.623444 0.588396 0.551518 232 72 1 0.428 0.623444 0.588396 0.754619 234 74 1 0.428 0.122296 0.0882703 0.549902 236 76 1 0.428 0.876661 0.411592 0.550077 238 78 1 0.428 0.877654 0.911771 0.653239 240 80 1 0.428 0.12341 0.588391 0.653076 242 82 3 -0.856 0.795304 0.0169762 0.610388 244 84 3 -0.856 0.204039 0.482384 0.61072 246 86 3 -0.856 0.204694 0.983043 0.592749 248 88 3 -0.856 0.79607 0.517616 0.59244 250 90 3 -0.856 0.295324 0.0169571 0.508853 251 91 3 -0.856 0.295324 0.0169571 0.711954 253 93 3 -0.856 0.704067 0.482402 0.509168 254 94 3 -0.856 0.704067 0.482402 0.712269 257 97 3 -0.856 0.704724 0.983057 0.694302 260 100 3 -0.856 0.296057 0.517599 0.693983 262 82 1 0.428 0.761985 0.049319 0.622797 264 84 1 0.428 0.235569 0.449734 0.623397 266 86 1 0.428 0.238007 0.950697 0.580338 268 88 1 0.428 0.764544 0.550263 0.57976 270 90 1 0.428 0.261998 0.0492993 0.52127 271 91 1 0.428 0.261998 0.0492993 0.724372 273 93 1 0.428 0.735606 0.449751 0.521833 274 94 1 0.428 0.735606 0.449751 0.724934 277 97 1 0.428 0.738038 0.950708 0.681893 280 100 1 0.428 0.264512 0.550251 0.681308 282 82 1 0.428 0.705264 0.989672 0.608474 284 84 1 0.428 0.295029 0.508913 0.608635 286 86 1 0.428 0.294723 0.01035 0.59466 288 88 1 0.428 0.705096 0.491074 0.594522 290 90 1 0.428 0.2053 0.989649 0.506948 291 91 1 0.428 0.2053 0.989649 0.710049 293 93 1 0.428 0.795045 0.508947 0.507096 294 94 1 0.428 0.795045 0.508947 0.710197 297 97 1 0.428 0.794753 0.01037 0.696217 300 100 1 0.428 0.205082 0.491056 0.696069 302 102 3 -0.856 0.888282 0.288493 0.625932 304 104 3 -0.856 0.110235 0.211932 0.626069 306 106 3 -0.856 0.111827 0.711489 0.577234 308 108 3 -0.856 0.889841 0.788068 0.577095 310 110 3 -0.856 0.388273 0.288489 0.524373 311 111 3 -0.856 0.388273 0.288489 0.727474 313 113 3 -0.856 0.610206 0.211916 0.524507 314 114 3 -0.856 0.610206 0.211916 0.727608 317 117 3 -0.856 0.611782 0.711488 0.678787 320 120 3 -0.856 0.389846 0.788075 0.67865 322 102 1 0.428 0.824686 0.317444 0.623953 324 104 1 0.428 0.173773 0.183005 0.623996 326 106 1 0.428 0.175462 0.682548 0.579209 328 108 1 0.428 0.82631 0.816999 0.57917 330 110 1 0.428 0.32468 0.317439 0.522399 331 111 1 0.428 0.32468 0.317439 0.7255 333 113 1 0.428 0.673765 0.182994 0.522454 334 114 1 0.428 0.673765 0.182994 0.725555 337 117 1 0.428 0.675428 0.682553 0.680751 340 120 1 0.428 0.326285 0.816991 0.680711 342 102 1 0.428 0.942475 0.305284 0.651407 344 104 1 0.428 0.0563088 0.195088 0.651468 346 106 1 0.428 0.0576584 0.694709 0.551752 348 108 1 0.428 0.943766 0.804915 0.551694 350 110 1 0.428 0.442467 0.305278 0.549846 351 111 1 0.428 0.442467 0.305278 0.752948 353 113 1 0.428 0.556263 0.195086 0.549909 354 114 1 0.428 0.556263 0.195086 0.75301 357 117 1 0.428 0.557596 0.694711 0.653306 360 120 1 0.428 0.443795 0.804934 0.653258 363 123 3 -0.856 0.394002 0.284692 0.638214 366 126 3 -0.856 0.604508 0.215732 0.638393 368 128 3 -0.856 0.606107 0.715312 0.564947 369 129 3 -0.856 0.606107 0.715312 0.768048 371 131 3 -0.856 0.395629 0.784273 0.564772 372 132 3 -0.856 0.395629 0.784273 0.767874 374 134 3 -0.856 0.894044 0.284692 0.536672 376 136 3 -0.856 0.104482 0.215722 0.536852 378 138 3 -0.856 0.106117 0.715294 0.666482 380 140 3 -0.856 0.8956 0.784232 0.666314 383 123 1 0.428 0.44706 0.302988 0.613237 386 126 1 0.428 0.55155 0.19739 0.613337 388 128 1 0.428 0.553033 0.697019 0.589924 389 129 1 0.428 0.553033 0.697019 0.793025 391 131 1 0.428 0.448578 0.802636 0.589826 392 132 1 0.428 0.448578 0.802636 0.792928 394 134 1 0.428 0.947091 0.303002 0.511699 396 136 1 0.428 0.0515296 0.197367 0.511799 398 138 1 0.428 0.0530547 0.697005 0.69146 400 140 1 0.428 0.948546 0.802612 0.691358 403 123 1 0.428 0.299237 0.286784 0.628464 406 126 1 0.428 0.699307 0.213638 0.628822 408 128 1 0.428 0.700878 0.713229 0.574697 409 129 1 0.428 0.700878 0.713229 0.777798 411 131 1 0.428 0.300832 0.786372 0.574344 412 132 1 0.428 0.300832 0.786372 0.777445 414 134 1 0.428 0.799267 0.286774 0.526927 416 136 1 0.428 0.199268 0.213605 0.527286 418 138 1 0.428 0.20088 0.713201 0.676231 420 140 1 0.428 0.800801 0.78632 0.675887 423 143 3 -0.856 0.34132 0.178007 0.689275 426 146 3 -0.856 0.657363 0.322313 0.689394 428 148 3 -0.856 0.658802 0.821984 0.513852 429 149 3 -0.856 0.658802 0.821984 0.716953 431 151 3 -0.856 0.34274 0.677685 0.513761 432 152 3 -0.856 0.34274 0.677685 0.716863 434 154 3 -0.856 0.841309 0.178017 0.587743 436 156 3 -0.856 0.157358 0.322325 0.587842 438 158 3 -0.856 0.15882 0.82198 0.615406 440 160 3 -0.856 0.842743 0.67768 0.615313 443 143 1 0.428 0.303778 0.156426 0.664362 446 146 1 0.428 0.694892 0.343898 0.664538 448 148 1 0.428 0.696299 0.843553 0.53877 449 149 1 0.428 0.696299 0.843553 0.741871 451 151 1 0.428 0.305192 0.656113 0.53862 452 152 1 0.428 0.305192 0.656113 0.741722 454 154 1 0.428 0.803803 0.156441 0.562826 456 156 1 0.428 0.194907 0.343892 0.56298 458 158 1 0.428 0.196287 0.843567 0.640323 460 160 1 0.428 0.805205 0.656109 0.640176 462 154 1 0.428 0.808921 0.149113 0.609346 464 156 1 0.428 0.189408 0.351286 0.609474 466 158 1 0.428 0.19114 0.850891 0.593805 468 160 1 0.428 0.810694 0.648726 0.593678 470 142 1 0.428 0.308948 0.149114 0.507782 471 143 1 0.428 0.308948 0.149114 0.710884 473 145 1 0.428 0.689387 0.351266 0.507933 474 146 1 0.428 0.689387 0.351266 0.711034 477 149 1 0.428 0.691169 0.850893 0.695349 480 152 1 0.428 0.31069 0.648728 0.69523 ITEM: TIMESTEP 209 ITEM: NUMBER OF ATOMS 480 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 3.3273969999999998e+01 0.0000000000000000e+00 ITEM: ATOMS id mol type q xs ys zs 1 1 2 2.0001 0.0105707 0.00190607 0.393199 3 3 2 2.0001 0.989602 0.498112 0.393234 5 5 2 2.0001 0.504843 0.996642 0.294271 8 8 2 2.0001 0.495784 0.503545 0.294397 11 11 2 2.0001 0.000127753 0.249999 0.390368 13 13 2 2.0001 0.000143955 0.750122 0.41586 15 15 2 2.0001 0.499701 0.249864 0.281731 16 16 2 2.0001 0.500071 0.249973 0.491038 18 18 2 2.0001 0.499807 0.749962 0.307713 21 21 5 1.6388 0.84082 0.130065 0.291664 22 22 5 1.6388 0.847614 0.119024 0.488208 24 24 5 1.6388 0.160106 0.370087 0.291794 25 25 5 1.6388 0.152517 0.380913 0.488246 27 27 5 1.6388 0.155125 0.86682 0.311478 30 30 5 1.6388 0.845526 0.633511 0.311475 33 33 5 1.6388 0.347231 0.135541 0.389638 35 35 5 1.6388 0.653116 0.364378 0.389635 37 37 5 1.6388 0.654919 0.878931 0.408264 39 39 5 1.6388 0.345233 0.621108 0.408302 41 33 4 -0.9097 0.263027 0.141256 0.427679 43 35 4 -0.9097 0.737316 0.35866 0.427676 45 37 4 -0.9097 0.745695 0.863729 0.37388 47 39 4 -0.9097 0.254332 0.636242 0.37393 49 21 4 -0.9097 0.762476 0.141361 0.329791 52 24 4 -0.9097 0.238555 0.358763 0.329894 55 27 4 -0.9097 0.246401 0.853864 0.276647 56 28 4 -0.9097 0.247819 0.869005 0.477649 58 30 4 -0.9097 0.754316 0.646524 0.276653 59 31 4 -0.9097 0.752316 0.631039 0.477578 61 21 4 -0.9097 0.981104 0.167955 0.289642 62 22 4 -0.9097 0.970572 0.165423 0.484553 64 24 4 -0.9097 0.0200302 0.332088 0.289762 65 25 4 -0.9097 0.0296071 0.334494 0.484581 67 27 4 -0.9097 0.0137117 0.830125 0.315469 70 30 4 -0.9097 0.987059 0.670123 0.315474 73 33 4 -0.9097 0.476939 0.178966 0.388489 75 35 4 -0.9097 0.523396 0.320961 0.388481 77 37 4 -0.9097 0.525759 0.835256 0.412471 79 39 4 -0.9097 0.474239 0.664861 0.412495 81 21 4 -0.9097 0.865169 0.0709418 0.295636 82 22 4 -0.9097 0.9062 0.067006 0.497825 84 24 4 -0.9097 0.135488 0.429171 0.295822 85 25 4 -0.9097 0.0938472 0.432921 0.497827 87 27 4 -0.9097 0.13306 0.926226 0.307703 90 30 4 -0.9097 0.86741 0.574087 0.30769 93 33 4 -0.9097 0.394374 0.0795901 0.39065 95 35 4 -0.9097 0.606032 0.420337 0.390672 97 37 4 -0.9097 0.603908 0.932151 0.397696 99 39 4 -0.9097 0.396487 0.567944 0.397722 101 21 4 -0.9097 0.740971 0.134288 0.256682 102 22 4 -0.9097 0.769725 0.108955 0.448165 104 24 4 -0.9097 0.259931 0.365968 0.256788 105 25 4 -0.9097 0.23051 0.390979 0.448219 107 27 4 -0.9097 0.243088 0.86488 0.349569 110 30 4 -0.9097 0.757544 0.635444 0.349559 113 33 4 -0.9097 0.259407 0.139993 0.351918 115 35 4 -0.9097 0.740869 0.359939 0.351902 117 37 4 -0.9097 0.733921 0.888696 0.448118 119 39 4 -0.9097 0.266228 0.611283 0.448153 121 41 3 -0.856 0.0742445 0.0591788 0.43963 123 43 3 -0.856 0.925944 0.440812 0.439648 125 45 3 -0.856 0.927545 0.943813 0.347882 127 47 3 -0.856 0.072564 0.556235 0.347928 129 49 3 -0.856 0.551011 0.0636019 0.334458 132 52 3 -0.856 0.449849 0.436494 0.334494 135 55 3 -0.856 0.451058 0.923892 0.257631 136 56 3 -0.856 0.428357 0.943904 0.454472 138 58 3 -0.856 0.548982 0.576516 0.257961 139 59 3 -0.856 0.571766 0.556078 0.454462 141 41 1 0.428 0.148927 0.0939072 0.439375 143 43 1 0.428 0.851354 0.406054 0.43938 145 45 1 0.428 0.866075 0.906898 0.354226 147 47 1 0.428 0.134103 0.593124 0.354329 149 49 1 0.428 0.632775 0.0956034 0.336501 152 52 1 0.428 0.368103 0.404467 0.336521 155 55 1 0.428 0.359924 0.896584 0.263994 156 56 1 0.428 0.353798 0.90956 0.459996 158 58 1 0.428 0.640411 0.603733 0.264114 159 59 1 0.428 0.646337 0.590431 0.459947 161 41 1 0.428 0.0219515 0.0659053 0.464893 163 43 1 0.428 0.978269 0.434078 0.464908 165 45 1 0.428 0.998813 0.931249 0.328949 167 47 1 0.428 0.00139377 0.568888 0.329003 169 49 1 0.428 0.494697 0.0729442 0.358607 172 52 1 0.428 0.50617 0.42709 0.358632 175 55 1 0.428 0.493827 0.898066 0.24123 176 56 1 0.428 0.4777 0.931486 0.430636 178 58 1 0.428 0.505109 0.602617 0.24215 179 59 1 0.428 0.52229 0.568482 0.430641 181 61 3 -0.856 0.567448 0.0507468 0.244513 182 62 3 -0.856 0.52645 0.0619575 0.454678 184 64 3 -0.856 0.433127 0.449571 0.244576 185 65 3 -0.856 0.473807 0.438012 0.454687 187 67 3 -0.856 0.441824 0.945072 0.344999 190 70 3 -0.856 0.559185 0.555024 0.345182 193 73 3 -0.856 0.0475575 0.0619552 0.347194 195 75 3 -0.856 0.952732 0.438061 0.347241 197 77 3 -0.856 0.975261 0.93966 0.43747 199 79 3 -0.856 0.0249492 0.560369 0.437487 201 61 1 0.428 0.556196 0.0574622 0.215736 202 62 1 0.428 0.476857 0.0706858 0.429343 204 64 1 0.428 0.444102 0.44294 0.215772 205 65 1 0.428 0.523443 0.429238 0.429375 207 67 1 0.428 0.509953 0.938706 0.367859 210 70 1 0.428 0.490859 0.561435 0.367976 213 73 1 0.428 0.981642 0.069037 0.324585 215 75 1 0.428 0.0188742 0.431012 0.324676 217 77 1 0.428 0.0249799 0.936136 0.464387 219 79 1 0.428 0.975211 0.56395 0.464394 221 61 1 0.428 0.64312 0.0859368 0.249474 222 62 1 0.428 0.621082 0.0867036 0.44948 224 64 1 0.428 0.35763 0.414322 0.249545 225 65 1 0.428 0.379181 0.413255 0.449498 227 67 1 0.428 0.368566 0.910096 0.349257 230 70 1 0.428 0.632293 0.590061 0.349379 233 73 1 0.428 0.122966 0.0958377 0.344255 235 75 1 0.428 0.87739 0.404176 0.344239 237 77 1 0.428 0.884325 0.913513 0.444088 239 79 1 0.428 0.115949 0.586482 0.444108 241 81 3 -0.856 0.804468 0.0186469 0.402729 243 83 3 -0.856 0.195765 0.481386 0.402753 245 85 3 -0.856 0.222005 0.992784 0.386166 247 87 3 -0.856 0.77814 0.507172 0.386195 249 89 3 -0.856 0.292996 0.00846153 0.289513 252 92 3 -0.856 0.70763 0.491849 0.289494 255 95 3 -0.856 0.714199 0.983264 0.300443 256 96 3 -0.856 0.7042 0.982891 0.489362 258 98 3 -0.856 0.286405 0.516863 0.300667 259 99 3 -0.856 0.295894 0.517066 0.489326 261 81 1 0.428 0.773333 0.0493171 0.418218 263 83 1 0.428 0.226873 0.450691 0.418213 265 85 1 0.428 0.281283 0.968787 0.37348 267 87 1 0.428 0.71855 0.531071 0.37353 269 89 1 0.428 0.226353 0.0343352 0.29015 272 92 1 0.428 0.774422 0.466035 0.290027 275 95 1 0.428 0.781613 0.964507 0.315069 276 96 1 0.428 0.736089 0.951131 0.475499 278 98 1 0.428 0.218927 0.535596 0.315289 279 99 1 0.428 0.264019 0.548852 0.475488 281 81 1 0.428 0.714157 0.991162 0.401315 283 83 1 0.428 0.286105 0.508841 0.401335 285 85 1 0.428 0.298459 0.0273823 0.389353 287 87 1 0.428 0.701876 0.472507 0.389405 289 89 1 0.428 0.218863 0.97275 0.296418 292 92 1 0.428 0.78168 0.527588 0.296417 295 95 1 0.428 0.784934 0.021194 0.297084 296 96 1 0.428 0.795982 0.00909524 0.492873 298 98 1 0.428 0.215705 0.478926 0.297295 299 99 1 0.428 0.20411 0.490872 0.492843 301 101 3 -0.856 0.888324 0.287664 0.433107 303 103 3 -0.856 0.111901 0.212289 0.433101 305 105 3 -0.856 0.109583 0.711975 0.372826 307 107 3 -0.856 0.890867 0.788205 0.372755 309 109 3 -0.856 0.408955 0.292962 0.325761 312 112 3 -0.856 0.590928 0.206754 0.325661 315 115 3 -0.856 0.611443 0.713841 0.261378 316 116 3 -0.856 0.609575 0.708446 0.468038 318 118 3 -0.856 0.387766 0.786003 0.261456 319 119 3 -0.856 0.390537 0.791619 0.468017 321 101 1 0.428 0.822808 0.315898 0.431377 323 103 1 0.428 0.177424 0.18407 0.431378 325 105 1 0.428 0.170469 0.682509 0.3749 327 107 1 0.428 0.829822 0.817628 0.374813 329 109 1 0.428 0.334624 0.317277 0.328147 332 112 1 0.428 0.665687 0.182642 0.328064 335 115 1 0.428 0.675069 0.684774 0.269186 336 116 1 0.428 0.670905 0.67938 0.471776 338 118 1 0.428 0.324989 0.815391 0.269236 339 119 1 0.428 0.329242 0.820689 0.471797 341 101 1 0.428 0.949148 0.307657 0.456737 343 103 1 0.428 0.0510344 0.192283 0.45672 345 105 1 0.428 0.0566817 0.695984 0.346637 347 107 1 0.428 0.94389 0.804243 0.346593 349 109 1 0.428 0.453211 0.302946 0.353901 352 112 1 0.428 0.54697 0.196859 0.353847 355 115 1 0.428 0.668817 0.728463 0.238142 356 116 1 0.428 0.556623 0.690557 0.442758 358 118 1 0.428 0.329401 0.77124 0.238444 359 119 1 0.428 0.443472 0.809541 0.442742 361 121 3 -0.856 0.38537 0.290556 0.238701 362 122 3 -0.856 0.389697 0.282432 0.445021 364 124 3 -0.856 0.61369 0.209172 0.238605 365 125 3 -0.856 0.610598 0.217488 0.445049 367 127 3 -0.856 0.585129 0.702364 0.350214 370 130 3 -0.856 0.414739 0.797585 0.350253 373 133 3 -0.856 0.899717 0.289767 0.346796 375 135 3 -0.856 0.100637 0.210231 0.346832 377 137 3 -0.856 0.107249 0.715662 0.462108 379 139 3 -0.856 0.892861 0.784596 0.462063 381 121 1 0.428 0.323698 0.280369 0.215506 382 122 1 0.428 0.445134 0.298475 0.419392 384 124 1 0.428 0.673622 0.218952 0.215 385 125 1 0.428 0.555192 0.201443 0.419415 387 127 1 0.428 0.542824 0.689107 0.377865 390 130 1 0.428 0.457196 0.810915 0.377875 393 133 1 0.428 0.950611 0.306057 0.320214 395 135 1 0.428 0.0500721 0.194004 0.320201 397 137 1 0.428 0.0491925 0.69451 0.485187 399 139 1 0.428 0.950856 0.80566 0.485191 401 121 1 0.428 0.33622 0.323056 0.247656 402 122 1 0.428 0.295641 0.282616 0.433872 404 124 1 0.428 0.663877 0.176992 0.247611 405 125 1 0.428 0.704672 0.217311 0.433908 407 127 1 0.428 0.661362 0.678894 0.351034 410 130 1 0.428 0.338673 0.821124 0.351061 413 133 1 0.428 0.832192 0.316833 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