forked from lijiext/lammps
20181 lines
1.7 MiB
20181 lines
1.7 MiB
ITEM: TIMESTEP
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0
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ITEM: NUMBER OF ATOMS
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1000
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ITEM: BOX BOUNDS pp pp pp
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-20.691700 20.691700
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-20.691700 20.691700
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-20.691700 20.691700
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ITEM: ATOMS id mol type q mass x y z fx fy fz
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1 1 1 -0.000000 32.041000 -15.593921 -11.920231 -16.031569 -3.388120 1.232780 -11.125430
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2 2 1 -0.000000 32.041000 -13.660369 -10.364788 -14.014725 -1.676030 -5.377050 0.828824
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3 3 1 -0.000000 32.041000 -18.826898 -14.728209 -14.068210 2.207950 -0.108900 0.456390
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4 4 1 -0.000000 32.041000 -15.255044 -11.849049 -19.471127 3.452190 12.794740 8.220570
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5 5 1 -0.000000 32.041000 -18.299728 -8.230588 -20.100094 -0.900110 -0.749146 -0.040840
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6 6 1 -0.000000 32.041000 -9.968136 -9.140770 -17.918043 -11.800780 -2.465580 -3.494820
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7 7 1 -0.000000 32.041000 -15.811384 -14.094695 -12.782418 -6.135185 -1.438470 -1.739260
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8 8 1 0.000000 32.041000 -11.159478 -20.432182 -12.281843 -0.175590 -3.043267 -2.451480
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9 9 1 -0.000000 32.041000 -13.841578 -15.721744 -18.784098 4.010970 -1.925540 -12.490010
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10 10 1 -0.000000 32.041000 -15.142260 -18.290419 -13.975963 -1.114530 1.702388 3.032530
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11 11 1 -0.000000 32.041000 -19.950782 -17.873994 -15.405072 0.385760 1.681464 0.549110
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12 12 1 -0.000000 32.041000 20.006866 -12.570667 -20.009208 -1.193760 -3.539360 1.191458
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13 13 1 -0.000000 32.041000 -11.728263 -15.176667 -15.425433 1.303000 8.130480 0.486550
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14 14 1 -0.000000 32.041000 -14.427184 -19.209232 -19.016732 -1.534350 -1.472788 -2.324520
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15 15 1 -0.000000 32.041000 -11.127583 -8.618048 -14.021029 2.355490 -0.521480 -2.438610
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16 16 1 -0.000000 32.041000 -17.830222 -19.915601 -11.679291 -5.389886 7.378500 -7.156250
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17 17 1 -0.000000 32.041000 -18.720151 -6.894394 -16.987595 -6.037420 0.437740 1.058710
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18 18 1 -0.000000 32.041000 -16.778940 -16.999091 -17.967710 -9.502230 -2.774600 1.991190
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19 19 1 -0.000000 32.041000 20.656098 -9.662287 -15.906630 0.398200 0.934289 -3.363340
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20 20 1 -0.000000 32.041000 19.648677 -11.171288 -11.653699 9.991578 0.433582 5.097927
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21 21 1 -0.000000 32.041000 -10.753321 -7.929558 20.283990 -4.597556 -0.086570 -15.738200
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22 22 1 -0.000000 32.041000 -15.482430 -7.516802 -12.731190 -3.277650 3.186041 1.626426
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23 23 1 0.000000 32.041000 -14.518985 -17.338455 -10.538911 -7.369760 -3.060320 -2.390959
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24 24 1 -0.000000 32.041000 -18.776268 -7.143912 -12.420792 1.331460 2.126700 2.478990
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25 25 1 0.000000 32.041000 -15.462009 -7.440183 -17.317898 1.034410 -1.173612 5.531840
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26 26 1 -0.000000 32.041000 -16.983205 -11.202799 -10.757879 -3.189660 -2.210170 2.144600
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27 27 1 -0.000000 32.041000 -11.516845 -13.803931 -12.494588 3.804040 2.056770 11.965260
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28 28 1 -0.000000 32.041000 -9.646657 -13.570295 -17.697028 -2.663081 -2.128860 5.002920
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29 29 1 0.000000 32.041000 -9.658989 -18.688925 -14.531187 -6.725078 -0.228000 5.126270
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30 30 1 -0.000000 32.041000 -19.148715 -13.533825 -9.452181 3.507230 -1.794180 -1.700940
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31 31 1 -0.000000 32.041000 -10.072123 -17.638893 -18.963074 -3.050100 -2.695075 -7.924260
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32 32 1 -0.000000 32.041000 -14.340941 -8.246599 20.050395 4.504220 -3.788100 -2.595480
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33 33 1 -0.000000 32.041000 -11.666757 -17.912502 -9.405520 9.141170 -0.087260 10.647430
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34 34 1 -0.000000 32.041000 -0.983444 -10.957105 -11.271262 6.300150 -5.152427 5.593540
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35 35 1 0.000000 32.041000 -2.683426 -8.316137 -20.207861 0.913980 0.200870 3.070194
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36 36 1 -0.000000 32.041000 -6.477185 20.232305 -18.470540 -9.625936 10.656320 5.369230
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37 37 1 -0.000000 32.041000 -3.327199 -18.344943 -15.252596 0.657069 1.248874 0.371430
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38 38 1 -0.000000 32.041000 -0.207772 -15.757601 -12.415119 -1.661750 10.164290 6.927000
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39 39 1 -0.000000 32.041000 -7.455054 -8.012524 -11.237775 5.805580 0.707834 0.486095
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40 40 1 -0.000000 32.041000 -0.698524 -6.710341 -13.193422 9.520070 -7.128410 11.146360
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41 41 1 -0.000000 32.041000 -6.949142 -20.416976 -13.755296 3.018824 -5.634540 -0.676910
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42 42 1 -0.000000 32.041000 -0.471653 -20.351492 -18.706664 -0.574690 0.983710 -0.131610
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43 43 1 -0.000000 32.041000 -3.554162 -17.829062 -19.669503 4.281660 5.014190 -5.228050
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44 44 1 0.000000 32.041000 -7.412136 -12.682988 20.382943 3.281500 0.024830 1.843330
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45 45 1 -0.000000 32.041000 -1.524341 -9.311716 -16.988366 2.885980 -3.988740 6.999910
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46 46 1 -0.000000 32.041000 -7.522080 -6.884012 -15.536242 2.752830 9.215780 8.727500
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47 47 1 -0.000000 32.041000 -0.057753 -20.007092 -12.968301 1.398717 -3.148765 0.459646
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48 48 1 -0.000000 32.041000 -2.454682 -12.079990 -15.394935 -1.125480 0.012860 -6.615820
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49 49 1 -0.000000 32.041000 -7.684559 -12.185294 -12.628177 -0.676652 -0.547300 6.063500
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50 50 1 -0.000000 32.041000 -7.515348 -11.058051 -16.532108 3.072300 -0.254220 -5.435370
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51 51 1 -0.000000 32.041000 -5.550127 -17.671188 -10.789781 3.702090 2.619940 0.930154
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52 52 1 -0.000000 32.041000 0.583447 -15.664144 -19.904727 3.694293 1.150960 -6.137200
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53 53 1 -0.000000 32.041000 -3.939394 -15.247188 -12.951277 -5.273802 -3.123670 4.429867
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54 54 1 -0.000000 32.041000 0.396487 -18.122022 -16.310759 -1.618220 -5.303980 -8.654990
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55 55 1 0.000000 32.041000 -5.510624 -14.047348 -18.544617 1.824460 -2.960082 -3.422490
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56 56 1 -0.000000 32.041000 -4.960535 -10.183391 -11.865849 -5.522260 -1.122270 -2.948992
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57 57 1 -0.000000 32.041000 -6.639925 -16.914532 -16.754924 6.084020 7.401770 7.269200
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58 58 1 -0.000000 32.041000 -2.706691 -6.304247 -16.142981 -12.355180 5.480469 -4.200826
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59 59 1 -0.000000 32.041000 -7.896938 -14.388969 -9.990392 3.775286 0.448616 -0.804850
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60 60 1 0.000000 32.041000 -18.182795 -17.126304 -7.170520 -1.186060 5.646170 -6.575417
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61 61 1 -0.000000 32.041000 -13.695879 -14.085166 -8.815463 2.398790 0.621270 -2.901190
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62 62 1 -0.000000 32.041000 -19.041888 -16.983184 -2.067721 -2.480004 4.144190 -5.168853
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63 63 1 -0.000000 32.041000 -15.989129 -12.575836 -2.523618 -9.048520 3.224570 -0.474836
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64 64 1 -0.000000 32.041000 -15.841696 -9.227509 -2.662757 5.782095 6.373380 2.942226
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65 65 1 -0.000000 32.041000 -16.283059 -9.104554 -7.067167 0.194830 -19.791561 8.480860
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66 66 1 0.000000 32.041000 -17.823452 -12.262270 -6.686968 -0.222715 2.342175 -0.742810
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67 67 1 -0.000000 32.041000 -15.382716 -16.300478 -5.197115 -0.424020 -1.972720 16.527474
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68 68 1 -0.000000 32.041000 -11.482167 -9.351373 -8.524131 -2.345710 3.325810 0.476878
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69 69 1 -0.000000 32.041000 -16.473987 -19.034042 -3.138687 3.371088 2.319160 -7.484466
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70 70 1 0.000000 32.041000 -13.740624 -11.597287 -4.908848 2.186400 -6.223340 4.829060
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71 71 1 -0.000000 32.041000 -20.681220 -9.783228 -3.356376 -0.185390 -6.251570 2.889840
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72 72 1 0.000000 32.041000 20.626117 -20.616766 -1.831014 -0.340920 -4.543591 -0.073720
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73 73 1 -0.000000 32.041000 -16.898027 -6.606197 -8.410656 -2.177390 17.585537 -9.744907
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74 74 1 -0.000000 32.041000 -12.619032 -8.726984 -0.875847 -1.266230 -0.343810 3.259399
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75 75 1 -0.000000 32.041000 -12.101607 -13.647429 -1.519263 6.719130 -6.487860 -0.926690
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76 76 1 0.000000 32.041000 20.439065 -13.297009 -3.226552 -0.916797 6.528430 -1.528802
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77 77 1 -0.000000 32.041000 20.135830 -20.430082 -8.687064 -3.035657 -2.617852 6.041800
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78 78 1 -0.000000 32.041000 -20.057550 -8.172203 -9.066733 0.365620 -1.712560 1.810010
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79 79 1 -0.000000 32.041000 -12.407187 -17.013374 -6.151541 5.000510 -3.044580 -7.549240
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80 80 1 -0.000000 32.041000 -10.062790 -6.501654 -7.356945 1.837480 0.960697 -6.076459
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81 81 1 -0.000000 32.041000 -18.500593 -6.220219 -0.028509 -7.988590 0.642950 -0.543230
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82 82 1 -0.000000 32.041000 19.770666 -17.745048 -5.078723 1.258010 -2.551880 4.172480
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83 83 1 -0.000000 32.041000 -15.053294 19.957835 -7.153671 2.933340 -1.915243 -4.007930
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84 84 1 -0.000000 32.041000 -13.246217 -6.071245 -10.612012 2.526800 -1.574190 -5.294270
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85 85 1 -0.000000 32.041000 -4.826526 -20.114133 -0.443982 -1.006100 -3.236760 4.512355
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86 86 1 -0.000000 32.041000 -4.296529 -19.914514 -7.543045 0.087050 -2.426210 -2.441070
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87 87 1 -0.000000 32.041000 -2.895103 -7.768137 -9.915029 4.148390 10.790221 -3.106320
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88 88 1 -0.000000 32.041000 -1.294237 -19.097301 -8.833548 2.184730 -6.266520 -5.054096
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89 89 1 -0.000000 32.041000 -8.264978 -20.477019 0.594629 8.651637 1.074470 -1.829447
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90 90 1 0.000000 32.041000 -7.575680 -12.914879 -0.761944 3.109900 -3.352810 -4.077620
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91 91 1 -0.000000 32.041000 0.989942 -18.290485 -2.075368 4.149310 4.901370 9.568701
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92 92 1 -0.000000 32.041000 -7.421455 -20.268106 -4.344290 5.194760 -2.742410 4.849190
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93 93 1 -0.000000 32.041000 0.622421 -11.174856 -7.352190 1.958033 5.474030 -4.056660
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94 94 1 0.000000 32.041000 -1.338120 -9.091161 -2.552874 -4.580380 1.689069 5.073865
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95 95 1 -0.000000 32.041000 -0.295287 -7.244800 -6.911496 1.505040 2.937770 0.879540
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96 96 1 -0.000000 32.041000 -4.578539 -18.360385 -3.172657 -1.765079 -5.019920 -6.987170
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97 97 1 -0.000000 32.041000 -2.991907 -11.313142 -7.604972 -4.641730 -6.602265 4.682510
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98 98 1 -0.000000 32.041000 -0.306813 -20.417563 -3.946692 -8.477220 -5.156570 -7.748240
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99 99 1 0.000000 32.041000 -5.223107 -6.124027 -6.487185 1.957600 2.781334 3.736210
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100 100 1 -0.000000 32.041000 -8.653792 -10.866022 -8.625087 2.958570 -4.790080 1.782580
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101 101 1 -0.000000 32.041000 -6.955748 -16.201959 -0.004173 -4.829580 9.681186 -8.620435
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102 102 1 -0.000000 32.041000 -1.206038 -16.338838 -5.110152 2.205710 -0.657260 -0.633510
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103 103 1 -0.000000 32.041000 -1.392644 -14.310257 -7.800039 0.764100 4.610961 1.344300
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104 104 1 -0.000000 32.041000 -5.809707 -8.853167 -2.927170 2.035180 -0.342831 -3.242640
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105 105 1 -0.000000 32.041000 -5.010587 -16.222609 -7.186483 4.467720 5.682505 -2.490490
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106 106 1 -0.000000 32.041000 -4.583235 -11.110530 -0.396227 -10.856980 -0.278414 -8.024240
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107 107 1 -0.000000 32.041000 -0.676993 -13.307141 -1.195155 4.829617 1.127615 -1.787430
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108 108 1 -0.000000 32.041000 -5.092035 -11.557525 -4.773999 1.835640 -1.590450 -4.354890
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109 109 1 -0.000000 32.041000 -7.644586 -17.244014 -5.469974 -11.501590 5.077370 4.092500
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110 110 1 -0.000000 32.041000 -10.054951 -15.980503 0.238407 -2.132000 0.201490 1.162130
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111 111 1 -0.000000 32.041000 -17.249758 -19.026027 4.522495 2.171380 0.682930 -3.464310
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112 112 1 -0.000000 32.041000 -14.586070 -17.585634 6.501765 6.475240 -11.940510 0.404370
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113 113 1 -0.000000 32.041000 -16.670664 -17.113549 1.464869 8.114129 7.732950 0.728010
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114 114 1 -0.000000 32.041000 -15.050248 -14.204488 2.703470 -5.394090 -3.174160 -3.500550
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115 115 1 -0.000000 32.041000 -15.895557 -11.073129 0.585645 0.723697 -3.601460 -6.170810
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116 116 1 -0.000000 32.041000 -18.659830 -6.890487 4.480769 3.930125 -1.566270 1.709190
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117 117 1 -0.000000 32.041000 -11.901456 -9.304671 6.061865 -0.947150 2.125061 0.582660
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118 118 1 -0.000000 32.041000 -11.864177 -12.894431 6.516575 -7.725230 4.163190 8.934040
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119 119 1 -0.000000 32.041000 -16.102234 -14.929607 6.014618 -2.677300 10.799100 3.225890
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120 120 1 -0.000000 32.041000 -13.016521 -7.839728 9.286367 -1.628830 5.171300 1.504480
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121 121 1 -0.000000 32.041000 -16.203408 -11.257643 8.144829 13.206430 0.565240 -3.381860
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122 122 1 -0.000000 32.041000 -19.538320 -18.481614 1.680828 -5.050830 -6.066725 5.368650
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123 123 1 -0.000000 32.041000 -14.975388 -10.528399 5.007522 -4.579690 0.122539 5.555810
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124 124 1 -0.000000 32.041000 -19.850246 -9.205742 2.234222 4.149472 6.405650 4.006637
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125 125 1 -0.000000 32.041000 -12.115905 -11.367794 1.716969 -0.521600 3.187680 1.147230
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126 126 1 -0.000000 32.041000 -19.859904 -17.104822 10.445301 2.823870 3.095610 -1.624526
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127 127 1 0.000000 32.041000 -19.359956 -11.153801 8.169241 -10.102390 -2.343560 -0.559760
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128 128 1 -0.000000 32.041000 -11.451081 -18.526780 3.148081 -2.999410 0.773882 6.616400
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129 129 1 -0.000000 32.041000 -14.099829 -8.022817 2.297489 1.695090 1.026150 -6.479243
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130 130 1 -0.000000 32.041000 -11.484116 -14.641294 10.413597 2.098720 -2.262682 0.627639
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131 131 1 -0.000000 32.041000 -19.001359 -14.414848 2.436381 -1.540850 -2.853830 -1.273400
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132 132 1 -0.000000 32.041000 20.571530 -14.331673 7.539669 3.969110 3.365171 0.621090
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133 133 1 0.000000 32.041000 -17.442615 -7.519985 7.463797 -4.764948 2.230532 -1.726240
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134 134 1 -0.000000 32.041000 -10.267543 -18.068592 9.029855 4.954370 3.709500 1.157380
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135 135 1 -0.000000 32.041000 -18.232027 -14.186887 10.778634 -2.629660 -1.554290 -0.628141
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136 136 1 -0.000000 32.041000 -17.353360 -19.499926 9.808884 -3.196940 -0.095880 -3.625440
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137 137 1 -0.000000 32.041000 19.947267 -18.830640 6.699558 -6.716870 1.209481 2.398420
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138 138 1 -0.000000 32.041000 19.965240 -14.110572 0.011585 3.289300 -0.787290 3.437860
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139 139 1 -0.000000 32.041000 -8.959722 -7.878524 1.640222 -5.464810 1.143360 2.306650
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140 140 1 -0.000000 32.041000 -9.773606 -13.909363 4.194023 8.201860 -5.651790 -9.282520
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141 141 1 -0.000000 32.041000 -10.925975 -10.837527 11.057179 -2.457210 1.633320 4.311000
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142 142 1 -0.000000 32.041000 -13.174059 19.924597 0.279842 -5.239470 3.828592 15.603459
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143 143 1 -0.000000 32.041000 -1.678165 -16.913667 0.950468 3.274180 -0.281673 -3.930502
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144 144 1 -0.000000 32.041000 -0.567591 -9.246197 1.442062 -5.144315 6.972030 -0.806879
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145 145 1 -0.000000 32.041000 -0.105923 -12.751330 10.577122 -5.114160 2.557270 0.677040
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146 146 1 -0.000000 32.041000 -9.318400 20.061557 6.742759 -2.502300 4.611010 -3.064540
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147 147 1 -0.000000 32.041000 -5.756898 -13.644205 9.855742 -6.049780 -2.104730 -0.141440
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148 148 1 -0.000000 32.041000 0.597277 -6.776013 5.438950 -2.212084 4.819107 -3.704420
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149 149 1 -0.000000 32.041000 -4.359218 -9.796027 5.601072 1.915080 -0.319800 2.367000
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150 150 1 0.000000 32.041000 -8.974874 -18.022828 5.960566 -5.349410 -6.822570 -4.458420
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151 151 1 -0.000000 32.041000 -8.548792 -6.174572 5.818398 0.306680 1.810320 -1.860580
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152 152 1 0.000000 32.041000 -1.532509 -12.697271 1.961912 17.754760 -8.446910 2.217050
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153 153 1 -0.000000 32.041000 -5.896467 -16.983302 2.777052 -0.557409 -10.481860 12.329280
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154 154 1 0.000000 32.041000 -2.563834 -14.086393 6.239078 -4.293560 0.125015 -0.119470
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155 155 1 -0.000000 32.041000 -8.027735 -10.472857 6.830302 1.718805 -0.201490 -1.054150
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156 156 1 -0.000000 32.041000 -5.764491 -7.866250 1.489159 -1.502300 4.493190 8.582570
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157 157 1 0.000000 32.041000 -5.981458 -18.397069 8.846888 -0.541970 2.131180 3.925470
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972 972 1 0.000000 32.041000 13.062983 8.398831 7.338684 8.839660 -1.283400 0.007360
|
|
973 973 1 -0.000000 32.041000 17.051888 16.177733 2.213212 -5.022513 -3.391760 -2.413050
|
|
974 974 1 -0.000000 32.041000 17.757567 10.772322 2.716900 5.398669 -10.041529 -0.855211
|
|
975 975 1 -0.000000 32.041000 12.714784 18.901002 11.592857 -7.335849 -0.353270 0.241310
|
|
976 976 1 -0.000000 32.041000 3.415662 11.117622 18.077900 -2.807100 3.859010 -2.233266
|
|
977 977 1 -0.000000 32.041000 3.663380 16.269487 12.332735 -6.718210 0.593592 -5.976700
|
|
978 978 1 -0.000000 32.041000 8.097549 17.922407 14.709958 4.877625 3.187420 5.986470
|
|
979 979 1 -0.000000 32.041000 4.767779 12.803371 14.280760 -4.555590 -9.486760 -1.723760
|
|
980 980 1 -0.000000 32.041000 5.139459 9.572031 13.633401 -5.521490 2.451674 2.775000
|
|
981 981 1 -0.000000 32.041000 8.320872 9.842555 11.865345 -1.394020 2.136572 -3.151260
|
|
982 982 1 -0.000000 32.041000 1.392912 12.409170 13.679216 4.566510 -3.513690 7.916870
|
|
983 983 1 -0.000000 32.041000 4.611256 14.511519 18.678899 6.742963 2.872380 0.830870
|
|
984 984 1 -0.000000 32.041000 6.858379 15.298969 13.177222 -0.932300 3.293600 -3.943974
|
|
985 985 1 -0.000000 32.041000 7.900081 8.754112 15.135530 2.250680 -0.291371 -1.729210
|
|
986 986 1 -0.000000 32.041000 4.027797 16.855181 16.002717 1.812830 5.271970 -0.655380
|
|
987 987 1 -0.000000 32.041000 8.053505 10.232587 19.876587 -3.157980 -3.715357 -3.203420
|
|
988 988 1 -0.000000 32.041000 8.323168 13.386807 16.064086 1.713570 0.749140 4.738970
|
|
989 989 1 -0.000000 32.041000 11.175134 17.112143 13.848066 -4.545900 -8.756820 1.623770
|
|
990 990 1 -0.000000 32.041000 10.337348 17.082881 19.018513 -3.640456 6.989440 -3.455840
|
|
991 991 1 -0.000000 32.041000 18.588795 7.669709 16.598764 4.059600 -3.373190 -1.699530
|
|
992 992 1 -0.000000 32.041000 18.468785 14.941955 17.441233 -5.134760 6.809960 2.389548
|
|
993 993 1 -0.000000 32.041000 10.857249 10.910608 18.017236 1.740280 -1.724080 -2.457150
|
|
994 994 1 -0.000000 32.041000 17.429692 10.751791 12.347308 -5.092040 -6.723430 -10.599360
|
|
995 995 1 0.000000 32.041000 15.781151 17.368364 12.190522 7.142150 3.641270 -9.312903
|
|
996 996 1 0.000000 32.041000 15.999348 9.538618 19.029554 6.446190 -1.197861 -4.208505
|
|
997 997 1 -0.000000 32.041000 16.764260 11.648740 15.877947 -5.602680 -2.474803 11.640405
|
|
998 998 1 -0.000000 32.041000 11.949434 8.469596 15.650518 -2.003840 2.227620 0.363180
|
|
999 999 1 -0.000000 32.041000 15.145502 17.735546 16.151500 0.466910 -1.917090 10.856866
|
|
1000 1000 1 -0.000000 32.041000 13.892131 13.192718 15.968357 1.255350 2.250950 -2.466731
|
|
ITEM: TIMESTEP
|
|
250
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -15.704137 -12.412804 -17.071433 2.655240 1.095036 7.338480
|
|
2 2 1 -0.000000 32.041000 -13.940111 -10.748601 -14.602913 2.074220 0.556730 -5.872660
|
|
3 3 1 -0.000000 32.041000 -19.179056 -14.008180 -14.998305 0.827500 -5.600843 -0.183790
|
|
4 4 1 -0.000000 32.041000 -15.188539 -12.396240 -20.216837 -1.855665 -1.123666 1.505170
|
|
5 5 1 -0.000000 32.041000 -17.939130 -7.813427 -20.332469 0.378140 2.584590 4.715920
|
|
6 6 1 -0.000000 32.041000 -11.055944 -9.253335 -17.619510 1.059960 -0.992150 1.316895
|
|
7 7 1 -0.000000 32.041000 -16.509907 -14.098840 -12.764923 -1.698680 2.587740 1.720850
|
|
8 8 1 0.000000 32.041000 -20.207386 -9.288909 -15.916300 7.816820 4.113290 -3.664300
|
|
9 9 1 -0.000000 32.041000 -13.480475 -16.050006 -18.950042 -4.201200 -3.569290 2.277030
|
|
10 10 1 -0.000000 32.041000 -11.760343 20.075992 -12.126856 9.531670 3.192750 3.866076
|
|
11 11 1 -0.000000 32.041000 -15.086988 -18.774265 -13.806628 0.097342 2.296191 -5.853400
|
|
12 12 1 -0.000000 32.041000 -20.225028 -17.754420 -15.982217 -0.257671 4.395080 5.394640
|
|
13 13 1 -0.000000 32.041000 20.622769 -12.181434 -20.044361 -1.321340 6.209830 6.132706
|
|
14 14 1 -0.000000 32.041000 -11.626018 -14.978843 -15.277625 0.240070 4.288073 -0.108230
|
|
15 15 1 -0.000000 32.041000 -15.625199 -19.465223 -19.379522 4.214710 -2.792510 -7.721467
|
|
16 16 1 -0.000000 32.041000 -10.272193 -17.474929 -18.946937 1.265138 1.194000 0.093052
|
|
17 17 1 -0.000000 32.041000 -11.369063 -8.731495 -13.794168 -7.681199 -11.436770 -5.090710
|
|
18 18 1 -0.000000 32.041000 -18.140710 -19.442333 -12.988459 2.979400 -4.839826 1.120780
|
|
19 19 1 -0.000000 32.041000 -19.101535 -6.040849 -17.313825 -1.638285 -7.749121 2.349783
|
|
20 20 1 -0.000000 32.041000 -16.712999 -16.795972 -17.757741 3.496430 3.229040 0.174460
|
|
21 21 1 -0.000000 32.041000 19.813850 -11.325383 -11.500841 3.022030 0.135980 10.586770
|
|
22 22 1 -0.000000 32.041000 19.476678 -16.984400 -12.729601 -1.953840 -1.010580 -0.236830
|
|
23 23 1 -0.000000 32.041000 -0.362025 -17.441754 -16.224081 3.139200 -3.664758 1.697450
|
|
24 24 1 -0.000000 32.041000 -16.013425 -7.350646 -12.700374 -2.050340 0.862842 -5.800730
|
|
25 25 1 -0.000000 32.041000 -14.828260 -17.653679 -10.504519 0.915780 3.999940 4.293730
|
|
26 26 1 0.000000 32.041000 -19.570117 -7.386614 -12.184104 5.373390 2.580221 -3.586729
|
|
27 27 1 -0.000000 32.041000 20.024048 -19.652261 -19.649669 -0.571928 1.685160 -3.358610
|
|
28 28 1 -0.000000 32.041000 -15.173074 -6.793101 -17.544305 -0.258220 0.795560 0.921320
|
|
29 29 1 -0.000000 32.041000 -16.529586 -11.200111 -10.838243 -5.714590 -6.572220 3.071580
|
|
30 30 1 -0.000000 32.041000 -11.966030 -13.690375 -12.143962 2.501130 -0.948790 3.955670
|
|
31 31 1 -0.000000 32.041000 -9.492726 -13.353618 -17.171575 -3.840410 4.490601 -1.837960
|
|
32 32 1 -0.000000 32.041000 -6.792766 -20.588497 -17.559306 1.983890 6.607030 -10.765328
|
|
33 33 1 0.000000 32.041000 -10.269415 -19.581056 -14.554124 -18.661548 3.946440 0.937450
|
|
34 34 1 -0.000000 32.041000 -0.121807 20.583902 -13.571265 -3.083580 -6.215768 2.585678
|
|
35 35 1 -0.000000 32.041000 -7.205233 -7.814426 -11.032939 -4.152090 -2.981407 1.820020
|
|
36 36 1 -0.000000 32.041000 -11.231776 19.794209 -16.780596 -3.647930 1.373979 1.951880
|
|
37 37 1 -0.000000 32.041000 -11.434156 -17.442965 -9.717396 -3.057770 -6.108050 1.537090
|
|
38 38 1 -0.000000 32.041000 -2.399776 -8.020311 -10.431392 -5.967572 -10.338620 5.504918
|
|
39 39 1 -0.000000 32.041000 -13.038782 -6.641758 -11.207473 -4.352270 1.419520 1.035720
|
|
40 40 1 -0.000000 32.041000 -10.446899 -5.640186 -18.702876 -7.612280 -4.047911 -4.391110
|
|
41 41 1 0.000000 32.041000 -1.075752 -11.287905 -11.027289 1.155770 0.438759 2.373100
|
|
42 42 1 0.000000 32.041000 -2.554562 -9.142329 -20.144711 -18.903724 9.476889 14.988645
|
|
43 43 1 -0.000000 32.041000 -3.329178 -17.498532 -15.278164 -10.222020 1.902417 -3.656110
|
|
44 44 1 0.000000 32.041000 -0.201513 -15.943791 -11.353649 -6.120120 2.642900 -4.434840
|
|
45 45 1 -0.000000 32.041000 -7.141778 -20.510736 -13.690445 13.626590 -0.242275 6.404150
|
|
46 46 1 -0.000000 32.041000 0.155305 -20.011818 -18.960849 -0.671140 2.010830 4.242130
|
|
47 47 1 -0.000000 32.041000 -3.564787 -17.575792 -20.055648 -5.086855 -7.726890 -0.801082
|
|
48 48 1 -0.000000 32.041000 -1.442660 -8.590581 -16.044026 -0.418070 -2.466980 -3.914245
|
|
49 49 1 -0.000000 32.041000 -3.238574 -11.101492 -15.010634 3.368810 -6.515570 -4.531060
|
|
50 50 1 -0.000000 32.041000 -8.117873 -11.442442 -12.427143 0.854073 2.805736 0.298440
|
|
51 51 1 -0.000000 32.041000 -8.034658 -10.146240 -16.882393 -0.022120 -3.060190 0.732260
|
|
52 52 1 -0.000000 32.041000 -5.645433 -17.543676 -10.893237 -1.581715 -0.895690 2.778780
|
|
53 53 1 -0.000000 32.041000 0.549039 -15.835438 -20.104888 5.016710 7.682010 -10.231270
|
|
54 54 1 -0.000000 32.041000 -0.854136 -6.390924 -12.927587 6.482110 18.302810 1.904790
|
|
55 55 1 -0.000000 32.041000 -5.152764 -14.299233 -12.376329 2.084988 -2.353860 4.080578
|
|
56 56 1 -0.000000 32.041000 -7.685231 -5.644168 -15.705241 -0.194374 -3.256935 7.393460
|
|
57 57 1 0.000000 32.041000 -5.110342 -13.749357 -18.992583 -0.562840 0.407050 3.119110
|
|
58 58 1 -0.000000 32.041000 -5.321019 -10.442396 -11.335053 0.312730 -8.662190 3.288540
|
|
59 59 1 -0.000000 32.041000 -6.329761 -15.554971 -16.118282 5.004690 -1.841082 -4.511000
|
|
60 60 1 -0.000000 32.041000 -8.941140 -14.363906 -9.186508 0.517200 1.821550 0.889011
|
|
61 61 1 -0.000000 32.041000 -2.992620 -5.766186 -16.718139 -4.049930 1.902630 -3.201710
|
|
62 62 1 -0.000000 32.041000 -6.299601 -18.987048 19.605593 3.381250 1.910420 2.837117
|
|
63 63 1 0.000000 32.041000 -17.216702 -16.921695 -6.645830 -0.390570 -4.902420 2.065490
|
|
64 64 1 -0.000000 32.041000 -13.313172 -13.858888 -8.743253 -1.515109 -2.530360 -4.207080
|
|
65 65 1 -0.000000 32.041000 -19.144104 -17.616619 -2.516045 -5.110845 4.342474 1.182518
|
|
66 66 1 -0.000000 32.041000 -16.622983 -13.219308 -1.634080 -3.725379 -5.592400 -11.976870
|
|
67 67 1 -0.000000 32.041000 -15.200018 -8.935760 -2.634044 3.011140 5.424030 -7.500180
|
|
68 68 1 -0.000000 32.041000 -15.964428 -9.680538 -6.704449 -6.911002 -1.741480 -3.732780
|
|
69 69 1 0.000000 32.041000 -18.253904 -12.042457 -6.140578 5.064668 5.179050 0.301800
|
|
70 70 1 -0.000000 32.041000 -14.875361 -16.365792 -4.395710 -2.440600 2.774570 5.282470
|
|
71 71 1 -0.000000 32.041000 -11.321412 -9.767779 -8.724937 3.801360 5.747797 2.148096
|
|
72 72 1 -0.000000 32.041000 -16.345134 -18.930419 -2.575678 8.359350 -2.275980 -6.655730
|
|
73 73 1 -0.000000 32.041000 -18.826252 -13.899903 -8.991346 -3.333010 8.786320 -4.325000
|
|
74 74 1 0.000000 32.041000 -13.312622 -11.896872 -4.805992 -0.235097 -1.341220 3.383664
|
|
75 75 1 -0.000000 32.041000 -20.682453 -9.938659 -2.779379 1.472300 4.254630 -0.650689
|
|
76 76 1 0.000000 32.041000 -10.910658 -20.268471 -8.148201 0.351584 1.121351 -1.041121
|
|
77 77 1 -0.000000 32.041000 -16.432293 -6.621911 -8.258737 3.114410 -0.360520 7.081034
|
|
78 78 1 -0.000000 32.041000 -12.385917 -7.789867 -0.797870 -1.316703 -3.256900 2.238600
|
|
79 79 1 -0.000000 32.041000 -11.847738 -14.119215 -1.664944 -7.166020 5.507562 -2.359660
|
|
80 80 1 0.000000 32.041000 -15.123224 20.625894 -7.566859 -2.782730 -3.435720 -2.445460
|
|
81 81 1 -0.000000 32.041000 -19.311646 -7.960599 -8.967097 -0.785400 -3.146640 -0.548960
|
|
82 82 1 -0.000000 32.041000 -12.089713 -16.920150 -5.971772 0.436940 0.873470 -7.762820
|
|
83 83 1 -0.000000 32.041000 -9.728620 -6.225956 -7.491454 -1.778226 -1.937980 -3.643888
|
|
84 84 1 -0.000000 32.041000 20.431160 -13.423223 -3.197656 1.262075 -9.530590 1.732450
|
|
85 85 1 -0.000000 32.041000 -11.323109 19.577609 -2.762039 4.664161 -3.136160 -11.198150
|
|
86 86 1 -0.000000 32.041000 -5.760890 -20.094594 -8.971498 3.270920 2.758230 -0.971520
|
|
87 87 1 -0.000000 32.041000 -18.389369 -5.834941 0.333730 -0.601480 2.279530 4.015522
|
|
88 88 1 -0.000000 32.041000 19.722874 20.616708 -2.104033 3.169980 2.893500 2.730350
|
|
89 89 1 -0.000000 32.041000 -4.336284 -20.188970 -0.099674 5.228150 0.802180 -0.449480
|
|
90 90 1 -0.000000 32.041000 19.856896 -17.350454 -4.920721 -1.732874 4.016450 -1.361080
|
|
91 91 1 -0.000000 32.041000 -2.062670 -19.378683 -9.361364 -6.751930 -0.386990 1.983450
|
|
92 92 1 -0.000000 32.041000 19.580992 20.450035 -8.613097 5.663802 3.745840 20.113110
|
|
93 93 1 0.000000 32.041000 -7.562107 -12.966894 -0.913569 6.315720 1.044740 0.170959
|
|
94 94 1 -0.000000 32.041000 -8.176671 -19.799248 -4.756813 8.059730 -9.298830 12.513430
|
|
95 95 1 -0.000000 32.041000 -10.108769 -6.257988 -4.247115 0.853680 -1.502040 -0.433350
|
|
96 96 1 -0.000000 32.041000 -1.066291 -8.840256 -2.979974 0.074380 3.377474 2.315765
|
|
97 97 1 -0.000000 32.041000 0.162858 -14.261922 -1.444406 -4.311740 1.851680 12.518840
|
|
98 98 1 -0.000000 32.041000 -5.102663 -19.129382 -3.339949 -1.459800 -1.987367 0.204280
|
|
99 99 1 -0.000000 32.041000 -3.752451 -11.835952 -7.541821 1.220700 4.968130 -1.709900
|
|
100 100 1 -0.000000 32.041000 -0.840499 20.632959 -3.181993 1.394110 4.850250 1.548092
|
|
101 101 1 -0.000000 32.041000 0.236362 -11.071598 -7.176938 1.615151 0.293137 -6.581360
|
|
102 102 1 -0.000000 32.041000 -7.982653 -10.725982 -8.542240 -8.145490 -2.592640 0.531550
|
|
103 103 1 -0.000000 32.041000 -6.711211 -16.087099 0.357717 -2.845076 -0.525930 0.199008
|
|
104 104 1 -0.000000 32.041000 20.368106 -14.025671 -0.019722 5.306890 0.133050 -4.347290
|
|
105 105 1 0.000000 32.041000 -5.434347 -16.775717 -7.467539 0.661556 6.970169 -11.178301
|
|
106 106 1 -0.000000 32.041000 -0.366342 -16.024858 -4.792204 -4.259670 -3.350650 -6.460980
|
|
107 107 1 -0.000000 32.041000 -1.723394 -14.235376 -7.527440 5.082930 -9.658810 4.258900
|
|
108 108 1 -0.000000 32.041000 -5.274187 -8.475156 -2.639008 2.210320 -4.029290 8.370535
|
|
109 109 1 -0.000000 32.041000 -4.541142 -11.258252 -0.466363 -4.521730 -2.498050 -1.884060
|
|
110 110 1 -0.000000 32.041000 -1.519939 -16.820711 1.226032 -3.549897 -3.901407 0.895880
|
|
111 111 1 -0.000000 32.041000 -4.779733 -11.784733 -4.292447 1.438590 1.902980 -1.988360
|
|
112 112 1 -0.000000 32.041000 -8.026925 -16.315953 -5.497547 -4.781100 8.185640 -4.168957
|
|
113 113 1 -0.000000 32.041000 -16.062981 -16.856889 1.269824 -0.567601 5.297400 -2.096780
|
|
114 114 1 -0.000000 32.041000 -15.058353 -11.038587 -0.189527 1.960348 2.540690 13.057735
|
|
115 115 1 -0.000000 32.041000 -12.843053 19.619523 -0.237831 -4.466940 -0.089280 12.210960
|
|
116 116 1 -0.000000 32.041000 -15.444044 -18.348228 4.112052 -5.634700 -0.157640 -1.768200
|
|
117 117 1 -0.000000 32.041000 -13.661163 -17.034367 6.416743 3.294158 -9.647826 0.122450
|
|
118 118 1 -0.000000 32.041000 -17.400004 -19.597189 9.069170 -6.587847 -1.283130 -0.774620
|
|
119 119 1 -0.000000 32.041000 -14.259728 -14.368012 3.170401 -2.884350 -1.686720 -0.268120
|
|
120 120 1 -0.000000 32.041000 -2.863906 19.900427 4.437421 2.069892 -1.988904 -4.337103
|
|
121 121 1 -0.000000 32.041000 -18.672586 -6.564291 4.771083 -2.092690 -0.259050 -15.286291
|
|
122 122 1 -0.000000 32.041000 -12.313891 -9.076479 5.591130 -6.147240 -4.209021 -1.032780
|
|
123 123 1 -0.000000 32.041000 -12.194688 -12.637039 6.602731 7.261620 1.565740 -2.527020
|
|
124 124 1 -0.000000 32.041000 -16.310711 -14.432922 5.899351 -1.246232 3.145570 1.546100
|
|
125 125 1 -0.000000 32.041000 -20.195764 -15.013678 7.247383 6.391039 6.726500 -1.259810
|
|
126 126 1 -0.000000 32.041000 -16.351042 -11.023706 8.508605 4.268240 -5.706402 2.813506
|
|
127 127 1 -0.000000 32.041000 -19.904238 -18.327509 2.380981 1.435241 1.258370 -1.078329
|
|
128 128 1 -0.000000 32.041000 -15.176502 -10.639775 5.080012 5.656200 -0.014440 1.349320
|
|
129 129 1 -0.000000 32.041000 -19.742161 -9.274291 3.364877 -3.407686 -1.178750 -3.434936
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943 943 1 -0.000000 32.041000 2.446435 14.405692 6.140590 -2.173407 5.242640 2.018810
|
|
944 944 1 -0.000000 32.041000 7.598438 12.184310 4.790378 -0.380540 3.616900 -1.942460
|
|
945 945 1 -0.000000 32.041000 5.481861 12.397539 9.872121 -2.607000 3.887480 0.168688
|
|
946 946 1 -0.000000 32.041000 1.020384 9.645605 3.058545 12.049030 -0.897060 -7.228600
|
|
947 947 1 -0.000000 32.041000 1.876578 13.884061 1.714279 -0.706440 -3.502060 -0.267900
|
|
948 948 1 -0.000000 32.041000 6.357878 8.680274 7.575881 6.688680 2.852850 -3.732230
|
|
949 949 1 -0.000000 32.041000 10.455078 15.198965 1.271721 2.492650 -6.471580 -1.265770
|
|
950 950 1 -0.000000 32.041000 3.360313 8.347242 9.255974 2.514099 2.837100 6.958260
|
|
951 951 1 -0.000000 32.041000 4.999750 16.711226 3.643845 2.447698 -0.494110 2.915390
|
|
952 952 1 -0.000000 32.041000 4.070303 10.025809 1.691314 -2.070400 4.858710 -0.058340
|
|
953 953 1 -0.000000 32.041000 0.772422 12.486836 9.809627 7.440750 4.350230 4.273701
|
|
954 954 1 -0.000000 32.041000 6.448015 14.133307 1.966566 -1.906927 -2.888610 3.707160
|
|
955 955 1 -0.000000 32.041000 1.943136 17.877430 3.595019 -0.599110 -1.570993 -0.415030
|
|
956 956 1 0.000000 32.041000 1.543378 9.532820 7.000412 -2.489620 -0.960150 -6.568790
|
|
957 957 1 -0.000000 32.041000 10.113276 18.795600 3.529878 -7.553850 7.005648 3.481424
|
|
958 958 1 -0.000000 32.041000 13.217461 9.980349 0.524092 -0.633800 0.185180 -1.025720
|
|
959 959 1 -0.000000 32.041000 9.133051 12.457702 9.968159 1.190880 -3.829600 0.044220
|
|
960 960 1 0.000000 32.041000 10.910694 7.795568 8.385165 -0.117347 3.312700 11.407095
|
|
961 961 1 -0.000000 32.041000 10.398348 11.808859 0.561819 1.139180 0.949559 2.188940
|
|
962 962 1 -0.000000 32.041000 17.253301 17.236321 6.298148 2.612480 -3.057780 3.359700
|
|
963 963 1 -0.000000 32.041000 17.235472 14.453237 8.627512 3.073365 2.589699 -2.805200
|
|
964 964 1 -0.000000 32.041000 18.977348 19.966068 1.866378 -6.090520 2.764510 0.349648
|
|
965 965 1 0.000000 32.041000 17.632097 9.287627 5.760029 1.831100 -1.819740 1.492740
|
|
966 966 1 -0.000000 32.041000 12.389832 10.868575 5.318326 4.277590 -22.998378 -20.228340
|
|
967 967 1 -0.000000 32.041000 16.331685 12.607801 4.752111 -3.802397 3.464014 0.538139
|
|
968 968 1 -0.000000 32.041000 12.748973 17.098852 3.537099 2.098206 2.175570 -7.965830
|
|
969 969 1 -0.000000 32.041000 13.498624 15.782699 6.400935 3.126327 -2.344913 4.196752
|
|
970 970 1 -0.000000 32.041000 13.146457 12.930504 7.731856 -5.426378 16.935810 21.733153
|
|
971 971 1 0.000000 32.041000 13.962095 8.225175 6.999860 -5.460939 0.238140 2.646657
|
|
972 972 1 -0.000000 32.041000 17.167382 15.660031 1.506711 1.662417 3.192960 7.541248
|
|
973 973 1 -0.000000 32.041000 17.959876 10.533363 2.532541 2.534611 -0.072340 -5.766450
|
|
974 974 1 -0.000000 32.041000 3.140600 11.431498 18.209146 8.043080 -0.415483 -0.067900
|
|
975 975 1 -0.000000 32.041000 3.438189 15.825494 11.829613 -4.079530 -1.688690 0.593003
|
|
976 976 1 -0.000000 32.041000 8.270440 17.928389 14.527653 -9.251660 4.275441 -2.607494
|
|
977 977 1 -0.000000 32.041000 3.891558 12.481812 14.197022 3.888820 -1.919904 1.547190
|
|
978 978 1 -0.000000 32.041000 5.092753 9.380598 13.664780 -14.268470 6.391450 -3.136971
|
|
979 979 1 -0.000000 32.041000 8.646869 9.904544 12.049126 -0.586054 0.864110 -1.595750
|
|
980 980 1 -0.000000 32.041000 5.549576 15.133089 19.290928 -1.111100 1.357175 -3.086370
|
|
981 981 1 -0.000000 32.041000 6.369663 15.695461 13.176875 3.324700 -0.546830 -2.503150
|
|
982 982 1 -0.000000 32.041000 12.849032 15.890247 18.476026 8.974160 -6.200540 -3.911384
|
|
983 983 1 -0.000000 32.041000 7.580064 8.817318 15.365230 14.322700 -6.632320 4.243154
|
|
984 984 1 -0.000000 32.041000 11.639354 18.918859 12.044206 -6.855797 0.494281 4.781380
|
|
985 985 1 -0.000000 32.041000 4.112317 16.326220 16.237813 8.221810 -0.696890 0.460570
|
|
986 986 1 -0.000000 32.041000 7.744534 10.029928 19.631942 -0.596161 0.309650 1.267620
|
|
987 987 1 -0.000000 32.041000 8.158533 13.775260 15.981896 -0.075029 -0.548550 4.209407
|
|
988 988 1 0.000000 32.041000 19.575148 16.373739 12.483798 0.462026 0.427720 -2.112710
|
|
989 989 1 -0.000000 32.041000 11.023087 15.917846 13.860420 10.742930 1.689479 0.417710
|
|
990 990 1 -0.000000 32.041000 9.573905 17.313972 18.704249 -4.106490 2.859520 1.612800
|
|
991 991 1 0.000000 32.041000 17.864661 15.090884 17.028499 0.671210 0.576007 0.919200
|
|
992 992 1 -0.000000 32.041000 19.572334 10.234885 18.747639 -5.047260 -3.530050 -2.979602
|
|
993 993 1 -0.000000 32.041000 13.966503 13.413316 15.741962 1.997830 1.705490 0.335862
|
|
994 994 1 -0.000000 32.041000 10.815330 9.927175 18.263848 -3.399880 3.778950 2.476310
|
|
995 995 1 0.000000 32.041000 17.090725 10.683811 11.312999 3.151400 2.179630 2.306157
|
|
996 996 1 0.000000 32.041000 14.952826 18.400398 11.666970 4.914370 0.364060 -3.224900
|
|
997 997 1 0.000000 32.041000 16.116021 9.141737 18.921185 3.707551 4.010061 -1.918010
|
|
998 998 1 -0.000000 32.041000 16.303276 10.794496 15.934651 -4.776570 3.303322 -0.190220
|
|
999 999 1 -0.000000 32.041000 11.991528 8.348170 15.718294 0.537337 -1.464950 -6.996800
|
|
1000 1000 1 -0.000000 32.041000 14.263953 18.062454 15.919057 3.085200 -7.350220 6.689537
|
|
ITEM: TIMESTEP
|
|
500
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -15.773021 -13.172085 -17.033016 -1.626200 -0.872620 -9.785460
|
|
2 2 1 -0.000000 32.041000 -14.380401 -11.428383 -14.829687 6.459508 5.500974 2.037250
|
|
3 3 1 0.000000 32.041000 -20.134546 -11.373678 -19.533047 4.591750 1.698450 -2.454430
|
|
4 4 1 -0.000000 32.041000 -15.189114 -11.675973 -20.203918 -7.995930 -9.729880 -4.491560
|
|
5 5 1 -0.000000 32.041000 -17.991723 -6.908719 -20.248579 1.154490 1.250526 -2.371530
|
|
6 6 1 -0.000000 32.041000 -12.015175 -9.427985 -18.393553 5.862430 3.843770 5.150512
|
|
7 7 1 -0.000000 32.041000 -16.825482 -14.058617 -13.054488 -2.049071 -1.578970 -6.439560
|
|
8 8 1 0.000000 32.041000 -20.145125 -8.850913 -15.770317 3.069010 4.516030 -7.346850
|
|
9 9 1 -0.000000 32.041000 -19.554259 -13.924163 -15.023708 -2.818020 0.404990 3.544091
|
|
10 10 1 -0.000000 32.041000 -13.348476 -16.601996 -18.098790 -3.085810 0.644730 0.145236
|
|
11 11 1 -0.000000 32.041000 20.164097 -20.405504 -19.826315 0.915951 -2.046100 -0.792240
|
|
12 12 1 -0.000000 32.041000 -15.215387 -18.697971 -14.037805 -0.679040 -1.683640 -2.460450
|
|
13 13 1 -0.000000 32.041000 -0.458726 -17.636015 -15.555437 0.489490 0.122630 -11.965530
|
|
14 14 1 -0.000000 32.041000 -11.699068 -14.348091 -14.466811 0.604328 -2.970780 -7.125960
|
|
15 15 1 -0.000000 32.041000 -15.075761 -19.759990 -19.060735 -1.549510 3.944980 -2.027800
|
|
16 16 1 -0.000000 32.041000 -10.060607 -17.405556 -18.438013 0.027730 -0.206380 0.727980
|
|
17 17 1 -0.000000 32.041000 -11.680187 -9.530284 -14.335792 -3.554233 7.602941 3.437560
|
|
18 18 1 -0.000000 32.041000 -18.210624 -19.896308 -12.807910 5.421868 6.761750 -0.546120
|
|
19 19 1 -0.000000 32.041000 -18.778389 -5.907891 -17.277265 -1.403080 -4.888790 5.796930
|
|
20 20 1 -0.000000 32.041000 -17.462602 -17.071485 -18.145136 3.989970 -2.049480 0.341360
|
|
21 21 1 -0.000000 32.041000 19.913973 -11.347548 -11.083695 -7.239874 0.335800 2.252277
|
|
22 22 1 0.000000 32.041000 -6.636447 -20.263664 -17.840668 -3.815830 -1.514940 3.275630
|
|
23 23 1 -0.000000 32.041000 -16.732051 -7.611939 -13.146192 -5.123559 6.773960 -8.414530
|
|
24 24 1 -0.000000 32.041000 -14.931247 -16.922061 -11.241401 1.026420 -4.427310 5.705010
|
|
25 25 1 -0.000000 32.041000 -19.976505 -7.194235 -11.494567 1.801610 -3.119000 2.327710
|
|
26 26 1 -0.000000 32.041000 19.873886 -16.641242 -12.319106 0.517617 4.333460 0.712225
|
|
27 27 1 -0.000000 32.041000 -11.320217 -5.991895 -14.204471 2.023128 -2.950860 -1.216860
|
|
28 28 1 -0.000000 32.041000 -6.717333 -17.485533 -11.080928 2.594710 -2.838980 0.582840
|
|
29 29 1 -0.000000 32.041000 -17.105421 -11.260176 -11.410395 6.956546 -5.563810 16.427550
|
|
30 30 1 0.000000 32.041000 -3.086572 -11.165441 -14.036196 1.456549 2.494730 -9.678995
|
|
31 31 1 -0.000000 32.041000 -14.964846 -6.192527 -18.338326 -0.590438 -3.410650 -0.585160
|
|
32 32 1 -0.000000 32.041000 -1.095706 -15.986269 -11.096215 -0.106230 0.066830 6.538414
|
|
33 33 1 -0.000000 32.041000 -12.166335 -13.330950 -11.512380 2.118950 -2.191200 3.446290
|
|
34 34 1 -0.000000 32.041000 -11.603762 -17.471362 -9.864676 2.173700 2.471450 -7.754540
|
|
35 35 1 -0.000000 32.041000 -10.529718 -12.387470 -17.163976 -2.291290 0.945550 -0.604990
|
|
36 36 1 -0.000000 32.041000 -11.379473 -19.796892 -14.271300 6.501680 10.519299 5.889810
|
|
37 37 1 -0.000000 32.041000 -5.959864 -10.358745 -10.893602 -8.685480 0.947050 1.887752
|
|
38 38 1 -0.000000 32.041000 -6.166078 -20.436494 -9.635213 -14.680310 4.119670 -8.057400
|
|
39 39 1 -0.000000 32.041000 -2.774407 -8.238787 -10.559055 4.741432 6.543458 2.887173
|
|
40 40 1 -0.000000 32.041000 -14.435318 -6.363945 -11.339393 10.112427 2.947430 -7.557139
|
|
41 41 1 -0.000000 32.041000 -10.722778 -5.984328 -19.031765 -2.462001 -3.743780 0.244380
|
|
42 42 1 -0.000000 32.041000 -1.130867 19.759057 -13.146041 3.450230 -0.650880 -0.488180
|
|
43 43 1 -0.000000 32.041000 -2.888302 -9.382470 -19.472291 5.294730 3.465378 -0.206780
|
|
44 44 1 -0.000000 32.041000 -3.757667 -16.988847 -15.394751 3.324130 0.586230 -1.250590
|
|
45 45 1 -0.000000 32.041000 -8.090009 -20.679044 -13.776232 3.137739 0.584930 0.701340
|
|
46 46 1 -0.000000 32.041000 0.802479 -19.339157 -18.352600 -0.821984 1.897550 3.225350
|
|
47 47 1 -0.000000 32.041000 -3.783725 -17.428571 -19.893041 1.784753 5.208874 -4.629690
|
|
48 48 1 0.000000 32.041000 -4.788207 -12.932127 -18.894523 -4.103700 -4.788120 0.198350
|
|
49 49 1 -0.000000 32.041000 -1.236771 -8.431097 -15.652136 1.212301 -1.210143 -0.958050
|
|
50 50 1 -0.000000 32.041000 -0.637091 -11.016304 -10.927907 1.933100 -2.960460 5.030730
|
|
51 51 1 -0.000000 32.041000 -8.375870 -11.609371 -12.895173 1.501010 0.388910 3.733321
|
|
52 52 1 -0.000000 32.041000 -8.068248 -10.036788 -16.967853 3.014050 -8.778810 -1.988589
|
|
53 53 1 0.000000 32.041000 0.832464 -15.670346 -20.370407 -1.780442 -0.115603 0.858313
|
|
54 54 1 -0.000000 32.041000 -7.052832 -7.228731 -10.639695 -2.802570 -0.597180 -1.193317
|
|
55 55 1 -0.000000 32.041000 -4.920462 -13.826567 -11.182592 1.355300 -1.710600 -2.828242
|
|
56 56 1 -0.000000 32.041000 -6.100690 -14.576433 -16.401801 -1.361207 -3.630344 3.486700
|
|
57 57 1 -0.000000 32.041000 -2.264826 -20.071475 19.802251 0.756121 -1.180280 4.947780
|
|
58 58 1 0.000000 32.041000 -8.349223 -6.245606 -15.814794 -7.670800 5.355880 -10.268640
|
|
59 59 1 -0.000000 32.041000 -3.087776 -5.811985 -17.018926 -1.525690 -2.769620 5.951540
|
|
60 60 1 -0.000000 32.041000 -11.623901 20.281924 -11.586673 -7.208983 -7.233947 1.370730
|
|
61 61 1 -0.000000 32.041000 0.469492 -8.597466 -20.096264 -1.351004 0.991710 -0.185370
|
|
62 62 1 0.000000 32.041000 -6.759673 -11.803251 20.314968 3.561636 5.900070 6.450447
|
|
63 63 1 0.000000 32.041000 -17.226937 -17.255572 -6.576759 -0.763590 4.795500 -0.037030
|
|
64 64 1 -0.000000 32.041000 -13.540057 -13.761478 -8.264699 4.303040 -2.949110 -0.090750
|
|
65 65 1 -0.000000 32.041000 -19.239273 -17.375496 -2.383762 0.872607 2.432590 3.124345
|
|
66 66 1 -0.000000 32.041000 -15.848376 -12.902079 -2.633576 -0.735580 -3.327185 5.276070
|
|
67 67 1 -0.000000 32.041000 -14.651273 -9.319047 -2.773297 4.020792 4.736520 -2.952370
|
|
68 68 1 -0.000000 32.041000 -15.348498 -9.797998 -6.866693 -3.056170 1.906800 2.109180
|
|
69 69 1 0.000000 32.041000 -18.109576 -11.618649 -5.698667 5.989200 0.166270 -7.509800
|
|
70 70 1 -0.000000 32.041000 -14.171610 -16.362449 -4.821405 -1.738400 -6.059210 0.746000
|
|
71 71 1 -0.000000 32.041000 -10.758632 -9.418587 -8.645855 2.406500 -3.189310 -0.939890
|
|
72 72 1 -0.000000 32.041000 -16.023808 -19.040563 -3.078862 2.568360 2.412680 -1.550924
|
|
73 73 1 -0.000000 32.041000 -17.829361 -13.383476 -8.957331 -7.781010 1.568979 -1.513240
|
|
74 74 1 0.000000 32.041000 -12.579800 -12.328654 -3.902570 -2.490970 9.179690 -11.994380
|
|
75 75 1 -0.000000 32.041000 -20.103834 -10.041438 -2.740806 -5.203758 -0.179276 5.454331
|
|
76 76 1 -0.000000 32.041000 -16.180508 -6.709010 -7.918925 0.652160 -4.826250 7.978115
|
|
77 77 1 -0.000000 32.041000 -12.061443 -7.568717 -1.391615 -2.836420 0.953810 -0.562600
|
|
78 78 1 -0.000000 32.041000 -11.850767 -14.193230 -0.585898 -0.961690 -8.141406 0.208523
|
|
79 79 1 0.000000 32.041000 -15.137620 20.316967 -7.427888 1.498280 1.860030 -0.299759
|
|
80 80 1 -0.000000 32.041000 -19.191286 -8.222423 -8.354263 -2.626000 2.262700 -5.295740
|
|
81 81 1 -0.000000 32.041000 -11.787986 -17.455167 -6.661863 -2.181710 6.193490 5.620960
|
|
82 82 1 -0.000000 32.041000 -10.737151 -6.336754 -8.100837 6.366101 6.740680 7.877810
|
|
83 83 1 -0.000000 32.041000 -10.460379 -20.372494 -8.836006 -1.605000 -1.808106 9.295344
|
|
84 84 1 0.000000 32.041000 -8.307752 -18.566279 -4.068247 -1.059250 -4.469913 -0.648156
|
|
85 85 1 0.000000 32.041000 -12.538367 19.837463 0.089613 0.808844 -2.156029 2.175490
|
|
86 86 1 -0.000000 32.041000 -9.695360 -13.707993 -7.761840 -7.537362 1.894190 -10.159280
|
|
87 87 1 -0.000000 32.041000 20.252048 -13.369647 -2.649146 7.099600 1.991980 0.587740
|
|
88 88 1 -0.000000 32.041000 -11.081573 19.210595 -2.606847 -1.819778 2.374168 2.925430
|
|
89 89 1 -0.000000 32.041000 -4.626712 20.265135 -0.029988 2.669106 4.808643 -2.267590
|
|
90 90 1 -0.000000 32.041000 20.325119 -13.762453 -8.194235 1.645090 2.443336 0.385599
|
|
91 91 1 -0.000000 32.041000 19.795696 20.664409 -2.580287 -4.628882 0.550930 0.642360
|
|
92 92 1 -0.000000 32.041000 -17.820877 19.672793 -5.539933 -2.492732 -2.751610 2.832660
|
|
93 93 1 -0.000000 32.041000 20.138130 -17.034953 -5.127124 1.222768 -0.583860 -6.204820
|
|
94 94 1 -0.000000 32.041000 20.240178 20.299038 -9.023220 1.096450 5.075200 6.445946
|
|
95 95 1 0.000000 32.041000 -3.147869 -20.084853 -8.751377 15.862830 -2.093177 5.689881
|
|
96 96 1 0.000000 32.041000 -7.101464 -13.334092 -0.394589 -3.119300 4.393530 2.774580
|
|
97 97 1 0.000000 32.041000 -0.913789 -8.935933 -3.270417 3.811860 1.746600 -3.588107
|
|
98 98 1 -0.000000 32.041000 -0.823638 -12.936731 -1.146565 4.111760 -2.339570 1.953530
|
|
99 99 1 -0.000000 32.041000 -5.365438 -19.351557 -2.827498 -1.727710 -1.565820 -0.744590
|
|
100 100 1 -0.000000 32.041000 -3.772542 -12.456865 -7.122735 2.394747 3.657023 -0.172600
|
|
101 101 1 -0.000000 32.041000 -1.055389 20.501157 -2.944854 -20.501370 -1.938630 -7.520792
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914 914 1 -0.000000 32.041000 15.232304 19.009030 -8.930882 -0.911343 -0.971334 2.946339
|
|
915 915 1 -0.000000 32.041000 4.372169 11.188575 -7.776202 0.818432 -7.946376 3.629155
|
|
916 916 1 -0.000000 32.041000 1.071478 11.984115 -4.202511 -5.482939 -0.905566 -7.756870
|
|
917 917 1 -0.000000 32.041000 3.235614 14.988774 -3.174031 7.121805 9.600140 -4.415020
|
|
918 918 1 -0.000000 32.041000 9.178623 14.681518 -8.035346 -3.760080 -6.446300 0.048030
|
|
919 919 1 -0.000000 32.041000 15.858531 14.520725 -2.680268 -3.519010 1.561750 -3.043080
|
|
920 920 1 -0.000000 32.041000 4.775083 15.219202 -6.272529 -4.389210 -16.880420 16.941630
|
|
921 921 1 -0.000000 32.041000 7.025328 10.599310 -2.424405 -4.701330 5.016320 -2.835150
|
|
922 922 1 -0.000000 32.041000 18.186758 7.923110 -8.308358 7.184457 -0.981270 -5.166447
|
|
923 923 1 -0.000000 32.041000 4.999188 18.133832 -7.282557 6.134810 13.786210 -14.587050
|
|
924 924 1 -0.000000 32.041000 8.477586 11.600961 -6.232294 1.966120 3.000590 -2.270676
|
|
925 925 1 -0.000000 32.041000 3.120117 18.227914 -2.212480 18.641110 -14.485300 -2.344030
|
|
926 926 1 -0.000000 32.041000 1.491672 18.457124 -6.981030 -5.134230 5.142060 -1.684850
|
|
927 927 1 -0.000000 32.041000 15.036877 8.030143 -1.474912 12.474429 -9.676470 -13.551950
|
|
928 928 1 -0.000000 32.041000 8.965865 17.729617 -0.645948 -0.920620 2.926240 -2.171000
|
|
929 929 1 -0.000000 32.041000 9.987927 9.863524 -8.621556 1.496200 -3.508312 -2.047670
|
|
930 930 1 -0.000000 32.041000 12.762883 8.544321 -5.426170 -0.486119 -2.805780 -2.610972
|
|
931 931 1 -0.000000 32.041000 1.326724 8.151798 -6.594995 4.790530 2.762440 3.833100
|
|
932 932 1 0.000000 32.041000 9.540509 18.539159 -6.447569 -5.815640 7.224420 3.424729
|
|
933 933 1 0.000000 32.041000 11.848605 17.355126 -8.356185 5.887840 -5.994770 -3.951390
|
|
934 934 1 -0.000000 32.041000 14.942036 16.870957 -6.304812 1.184780 1.078700 -0.602630
|
|
935 935 1 -0.000000 32.041000 13.406375 13.666130 -6.570488 1.066510 1.969588 -0.370677
|
|
936 936 1 -0.000000 32.041000 18.165474 9.023348 -3.087774 -2.497988 -2.382100 0.779490
|
|
937 937 1 -0.000000 32.041000 11.248153 11.980645 -2.798930 -2.787570 -2.866750 5.730450
|
|
938 938 1 -0.000000 32.041000 12.175379 18.847530 -1.220345 -4.991470 -6.448290 3.702380
|
|
939 939 1 -0.000000 32.041000 12.644039 19.899385 -4.433209 3.674490 -3.042895 4.221660
|
|
940 940 1 -0.000000 32.041000 19.240743 18.685600 -6.339882 0.789580 1.264000 -4.036460
|
|
941 941 1 -0.000000 32.041000 12.430161 15.126259 -3.138219 5.996660 5.940778 0.947380
|
|
942 942 1 0.000000 32.041000 15.759581 11.357368 -6.952937 -5.627650 7.231370 6.547020
|
|
943 943 1 -0.000000 32.041000 19.246005 11.844965 -7.874005 -5.946800 0.786380 -3.190420
|
|
944 944 1 -0.000000 32.041000 3.633530 10.910803 0.902056 -5.700340 -2.646451 0.797350
|
|
945 945 1 0.000000 32.041000 4.868765 14.735455 7.975810 -4.376720 1.487020 10.105940
|
|
946 946 1 -0.000000 32.041000 2.287472 14.086657 5.910655 0.369366 1.656010 2.773090
|
|
947 947 1 -0.000000 32.041000 6.392920 13.090573 4.775172 0.760900 -2.550540 -5.414810
|
|
948 948 1 -0.000000 32.041000 1.904337 14.210530 1.228825 0.255190 -5.032810 0.940475
|
|
949 949 1 -0.000000 32.041000 6.583437 8.626820 7.927653 0.703413 -0.554700 1.893555
|
|
950 950 1 -0.000000 32.041000 11.345321 14.820817 1.454978 3.798520 1.728250 4.475750
|
|
951 951 1 -0.000000 32.041000 3.434109 8.408475 8.928571 1.936800 -2.741310 2.995236
|
|
952 952 1 -0.000000 32.041000 5.517045 11.857762 10.432877 -5.013030 2.668270 -1.541400
|
|
953 953 1 -0.000000 32.041000 5.403851 17.430999 3.722301 4.131720 2.853980 -1.003930
|
|
954 954 1 -0.000000 32.041000 0.921999 11.539488 9.650743 -1.905000 4.849380 -9.539330
|
|
955 955 1 -0.000000 32.041000 6.511056 14.776393 1.836205 9.251610 -1.826720 1.980170
|
|
956 956 1 -0.000000 32.041000 2.389179 17.566963 2.833385 -10.850684 5.279548 1.006470
|
|
957 957 1 -0.000000 32.041000 10.845905 19.554839 4.153738 -7.044460 5.880909 -3.274990
|
|
958 958 1 0.000000 32.041000 10.129483 12.063081 0.510057 -2.599250 -0.574230 -4.188720
|
|
959 959 1 -0.000000 32.041000 12.642985 9.837965 0.712954 -10.547411 2.687185 10.328000
|
|
960 960 1 -0.000000 32.041000 5.789120 18.589033 9.926355 -6.332911 -4.377480 3.062321
|
|
961 961 1 -0.000000 32.041000 8.750133 12.561119 10.408625 2.874220 -2.447354 0.110090
|
|
962 962 1 -0.000000 32.041000 17.341646 19.455145 8.121160 11.167227 1.542056 -9.481758
|
|
963 963 1 -0.000000 32.041000 17.343714 17.137354 5.871700 1.645150 -1.988540 1.368250
|
|
964 964 1 -0.000000 32.041000 17.171197 14.332727 7.797131 0.178783 4.539310 -0.700650
|
|
965 965 1 0.000000 32.041000 18.447023 9.831721 5.210800 1.642630 -8.361342 3.159572
|
|
966 966 1 -0.000000 32.041000 11.973101 11.105663 5.613978 0.392852 5.423420 -0.820290
|
|
967 967 1 -0.000000 32.041000 15.710508 12.653710 3.484149 1.834210 -4.967110 0.053790
|
|
968 968 1 -0.000000 32.041000 13.026528 17.017952 3.827189 8.470420 -4.703372 -1.692656
|
|
969 969 1 -0.000000 32.041000 12.663422 15.481235 6.550020 5.857930 14.305086 -3.389324
|
|
970 970 1 -0.000000 32.041000 12.463613 13.023337 8.444565 -3.410510 -16.955986 4.386840
|
|
971 971 1 -0.000000 32.041000 17.507000 14.871158 1.470223 -1.871750 3.513198 -1.085742
|
|
972 972 1 -0.000000 32.041000 18.086645 10.565406 1.902674 -2.673090 3.192017 -0.759459
|
|
973 973 1 0.000000 32.041000 14.016953 19.794278 11.484993 -15.906380 -4.627390 14.835645
|
|
974 974 1 -0.000000 32.041000 3.139721 16.339391 11.761569 0.404340 -2.908306 -0.535470
|
|
975 975 1 0.000000 32.041000 16.475678 10.833935 11.166913 -1.910730 -0.221473 -0.791970
|
|
976 976 1 -0.000000 32.041000 3.667000 12.063948 18.628510 -1.001350 -5.082050 -1.811963
|
|
977 977 1 -0.000000 32.041000 8.664493 17.747638 14.493400 -4.802300 -4.859410 -0.611650
|
|
978 978 1 -0.000000 32.041000 2.990275 11.419367 14.449714 -4.056190 1.334796 -3.143433
|
|
979 979 1 -0.000000 32.041000 4.132128 8.366741 13.631226 3.177930 -0.515390 3.467380
|
|
980 980 1 -0.000000 32.041000 8.915419 9.564629 11.933743 1.733700 5.644600 -1.107374
|
|
981 981 1 -0.000000 32.041000 17.588655 17.461596 20.426585 4.155410 -5.261290 3.152070
|
|
982 982 1 -0.000000 32.041000 6.233697 15.774456 12.378766 4.857174 -0.949452 2.003530
|
|
983 983 1 -0.000000 32.041000 13.634619 15.172785 18.730380 -2.234940 2.008977 -5.406181
|
|
984 984 1 -0.000000 32.041000 7.496529 8.636865 15.009230 -7.385229 -0.105290 2.211011
|
|
985 985 1 -0.000000 32.041000 11.028983 18.381184 12.279150 10.478027 4.139190 -8.986140
|
|
986 986 1 -0.000000 32.041000 5.281755 16.068250 16.235649 3.269270 -3.030910 0.648480
|
|
987 987 1 -0.000000 32.041000 7.642607 9.852773 19.330256 -1.194710 2.221940 -5.183088
|
|
988 988 1 -0.000000 32.041000 7.995793 13.975020 17.096166 -5.281750 6.218021 -2.498420
|
|
989 989 1 -0.000000 32.041000 18.849232 16.005386 12.717329 -1.387620 1.420900 -1.805810
|
|
990 990 1 -0.000000 32.041000 10.000114 14.697942 13.700447 0.971480 3.065750 1.686945
|
|
991 991 1 -0.000000 32.041000 8.917217 17.837195 18.392221 -0.518770 -4.005878 6.433850
|
|
992 992 1 0.000000 32.041000 17.376050 16.102056 16.795839 1.517910 7.776420 -10.443167
|
|
993 993 1 -0.000000 32.041000 19.033980 11.365543 13.820931 -0.048486 1.342410 -1.355710
|
|
994 994 1 -0.000000 32.041000 13.687935 13.881837 14.592338 1.513530 -3.271090 5.753060
|
|
995 995 1 -0.000000 32.041000 16.913274 13.820689 19.249720 -1.534064 -2.319610 12.262136
|
|
996 996 1 -0.000000 32.041000 11.372422 9.690029 18.010122 -2.387120 2.681080 -1.051073
|
|
997 997 1 0.000000 32.041000 15.967949 9.377351 19.261847 1.622940 -0.087650 -8.661650
|
|
998 998 1 -0.000000 32.041000 15.518852 10.930347 15.957927 -1.532722 2.454536 3.644884
|
|
999 999 1 -0.000000 32.041000 11.795317 8.980419 14.377262 -1.988240 -2.492400 2.367110
|
|
1000 1000 1 -0.000000 32.041000 14.494323 18.094476 16.322584 0.310534 -2.745060 -1.201850
|
|
ITEM: TIMESTEP
|
|
750
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -15.747105 -12.776267 -17.232757 -0.556290 1.263080 -0.866830
|
|
2 2 1 -0.000000 32.041000 -14.524289 -11.127780 -14.767955 2.416660 0.182209 -1.512110
|
|
3 3 1 0.000000 32.041000 -20.220503 -11.604965 -19.108048 1.347289 2.500250 -7.169960
|
|
4 4 1 -0.000000 32.041000 -15.597139 -11.393006 -20.536961 -0.022751 -2.805880 2.998874
|
|
5 5 1 -0.000000 32.041000 -8.222532 -20.216575 -13.765678 0.923240 -2.233750 0.056300
|
|
6 6 1 -0.000000 32.041000 -11.724101 -9.451760 -18.646938 -0.080090 0.239840 2.988300
|
|
7 7 1 -0.000000 32.041000 -17.174831 -13.747219 -13.060853 2.150656 3.039140 3.740670
|
|
8 8 1 -0.000000 32.041000 0.890125 -15.366737 -19.990782 -4.022090 0.936540 -4.053140
|
|
9 9 1 -0.000000 32.041000 -20.044021 -13.828403 -14.842391 -3.389260 -1.533915 -1.462358
|
|
10 10 1 -0.000000 32.041000 -13.955107 -16.508136 -18.093409 4.987270 -1.071250 0.744950
|
|
11 11 1 -0.000000 32.041000 -14.969953 -18.423639 -14.125287 0.800730 -0.827000 6.694390
|
|
12 12 1 -0.000000 32.041000 -1.058026 -17.106343 -15.800736 3.723820 -3.276570 4.773144
|
|
13 13 1 -0.000000 32.041000 -11.862840 -14.687361 -14.188443 1.778030 -3.018838 -6.394280
|
|
14 14 1 -0.000000 32.041000 -15.015823 -19.625607 -19.139986 1.257140 1.639410 -6.855360
|
|
15 15 1 -0.000000 32.041000 -10.233327 -17.256003 -18.488559 -2.154680 1.221590 2.860563
|
|
16 16 1 -0.000000 32.041000 -11.825074 -9.076313 -14.053737 -5.960610 8.122847 -6.719235
|
|
17 17 1 -0.000000 32.041000 -17.937247 -18.501510 -12.368667 -3.476820 -1.033940 -0.027450
|
|
18 18 1 -0.000000 32.041000 19.661180 -11.775393 -10.863832 8.774910 -3.357714 3.744060
|
|
19 19 1 -0.000000 32.041000 -17.834387 -18.064577 -17.973828 1.627900 0.482904 1.040930
|
|
20 20 1 -0.000000 32.041000 20.468600 -8.451882 -16.092728 1.886010 -0.323610 6.495090
|
|
21 21 1 -0.000000 32.041000 -1.220406 20.012728 -12.642707 2.392917 -15.639540 -3.584237
|
|
22 22 1 -0.000000 32.041000 -12.362876 -13.084913 -11.391650 -3.672800 2.321570 4.488740
|
|
23 23 1 -0.000000 32.041000 -17.578887 -7.762519 -13.435868 6.288670 -2.968410 2.466980
|
|
24 24 1 -0.000000 32.041000 -14.440189 -17.746652 -10.705429 -0.214990 2.638530 -3.833340
|
|
25 25 1 -0.000000 32.041000 -11.166202 -16.892783 -10.314595 0.658290 -6.193590 5.530890
|
|
26 26 1 -0.000000 32.041000 1.045890 -14.128213 -16.035565 2.570640 8.415240 2.592390
|
|
27 27 1 -0.000000 32.041000 -11.263359 -6.060291 -15.338990 2.719730 -2.982060 3.085510
|
|
28 28 1 -0.000000 32.041000 0.332069 -8.677620 -19.241550 -0.104560 -2.272560 -3.566550
|
|
29 29 1 -0.000000 32.041000 -7.591189 -17.270828 -11.812522 1.475640 1.554453 2.356300
|
|
30 30 1 -0.000000 32.041000 -16.994826 -10.552453 -10.966259 -0.773860 -6.192810 -8.742940
|
|
31 31 1 0.000000 32.041000 -3.398987 -10.436477 -14.605913 -2.536670 -2.532950 3.308990
|
|
32 32 1 -0.000000 32.041000 -15.257272 -6.363395 -17.792758 -5.708521 4.104450 -2.192500
|
|
33 33 1 -0.000000 32.041000 -0.676714 -17.196765 -11.181236 -2.979090 14.043759 6.676270
|
|
34 34 1 -0.000000 32.041000 -19.839765 -7.240979 -11.241817 -4.519103 -0.359997 -2.560730
|
|
35 35 1 -0.000000 32.041000 -7.714102 -7.244825 -15.309165 -5.931500 -0.385190 -0.667790
|
|
36 36 1 -0.000000 32.041000 -10.878116 -12.971223 -17.617006 -8.999389 -9.529010 0.243137
|
|
37 37 1 -0.000000 32.041000 -3.367138 -13.771512 -11.110660 -1.390080 0.601500 -0.863499
|
|
38 38 1 -0.000000 32.041000 -11.488418 -19.954200 -14.495117 0.406010 1.334559 -0.225130
|
|
39 39 1 -0.000000 32.041000 -6.658587 -10.243873 -10.186423 0.157013 2.839440 -4.222130
|
|
40 40 1 -0.000000 32.041000 -1.423328 -8.299118 -15.356332 2.228891 5.589489 -4.617441
|
|
41 41 1 -0.000000 32.041000 -2.965431 -8.318728 -10.332258 2.754700 1.374350 0.082640
|
|
42 42 1 -0.000000 32.041000 -0.650197 -12.353923 20.311415 8.493464 7.667200 -0.141314
|
|
43 43 1 -0.000000 32.041000 -3.762792 -13.315538 -18.539894 -1.336310 4.935327 -0.754770
|
|
44 44 1 -0.000000 32.041000 -3.365318 -9.033178 -19.022770 1.684790 1.644600 -3.273056
|
|
45 45 1 -0.000000 32.041000 -6.610421 -20.669084 -17.946986 -5.102380 -1.421383 1.199900
|
|
46 46 1 -0.000000 32.041000 -4.003756 -16.886580 -15.075126 -3.523070 -0.153200 -2.825778
|
|
47 47 1 -0.000000 32.041000 19.334947 -16.294196 -12.282930 7.145344 3.009700 -5.306170
|
|
48 48 1 0.000000 32.041000 -3.879654 -17.032214 -19.777024 -2.699980 3.128763 -1.188160
|
|
49 49 1 -0.000000 32.041000 -5.872898 -14.051400 -15.984025 -1.518691 -2.233547 0.050580
|
|
50 50 1 -0.000000 32.041000 -18.807155 -5.783390 -16.401105 16.298980 8.448070 -0.991160
|
|
51 51 1 -0.000000 32.041000 -14.849564 -6.233231 -12.696853 5.025528 -0.684416 -2.221400
|
|
52 52 1 -0.000000 32.041000 -0.509310 -10.508693 -10.532776 -4.137274 3.308574 -6.264020
|
|
53 53 1 -0.000000 32.041000 -8.994888 -11.124115 -12.371774 8.695600 -3.447680 3.597711
|
|
54 54 1 -0.000000 32.041000 -8.424616 -11.218894 -17.386325 9.480160 8.601008 3.084753
|
|
55 55 1 -0.000000 32.041000 -7.416509 -6.831103 -10.395168 4.799230 -1.710342 1.930300
|
|
56 56 1 -0.000000 32.041000 -18.180896 -13.678364 -9.619436 -3.186190 2.956500 10.776370
|
|
57 57 1 -0.000000 32.041000 -2.614640 -19.496084 19.620327 2.598176 -0.623170 -1.560261
|
|
58 58 1 -0.000000 32.041000 -6.608388 -17.744069 19.916851 0.192430 -0.148040 5.695770
|
|
59 59 1 0.000000 32.041000 -16.624403 -16.497313 -6.702651 -7.578470 -0.494748 -0.092360
|
|
60 60 1 -0.000000 32.041000 -13.407835 -13.880522 -8.181786 -2.264080 -3.106761 -7.261870
|
|
61 61 1 -0.000000 32.041000 -18.607310 -17.005142 -2.565548 3.936170 -2.260230 -3.295220
|
|
62 62 1 -0.000000 32.041000 -15.337244 -12.741050 -2.403390 -2.349195 6.075698 1.085490
|
|
63 63 1 -0.000000 32.041000 -14.574332 -8.511348 -3.037324 -3.654920 -2.922865 3.881785
|
|
64 64 1 -0.000000 32.041000 -14.498895 -9.362135 -7.074172 -2.359630 0.089600 -5.138854
|
|
65 65 1 0.000000 32.041000 -17.171390 -12.161218 -6.561524 -0.694919 1.089970 -2.071840
|
|
66 66 1 -0.000000 32.041000 -13.919822 -16.820498 -4.647104 8.166520 -0.137550 -0.117790
|
|
67 67 1 -0.000000 32.041000 -10.153328 -8.609965 -8.473060 0.764978 -6.403380 -3.474520
|
|
68 68 1 -0.000000 32.041000 -16.076261 -19.262008 -3.801993 -0.392954 1.695960 3.849410
|
|
69 69 1 0.000000 32.041000 -12.740649 -11.919247 -4.254567 2.025900 -1.687250 1.683160
|
|
70 70 1 -0.000000 32.041000 -20.049691 -10.037074 -2.072942 -1.998980 8.377250 -2.609200
|
|
71 71 1 -0.000000 32.041000 20.097673 -13.122654 -2.381605 6.034894 -9.013388 -5.780880
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886 886 1 -0.000000 32.041000 2.214119 11.728778 -14.232615 -2.815370 -1.091868 1.718420
|
|
887 887 1 -0.000000 32.041000 1.394720 15.872268 -19.879070 8.089720 5.455140 -2.453694
|
|
888 888 1 -0.000000 32.041000 6.362358 13.663591 -12.386151 -6.710470 -0.953200 4.042420
|
|
889 889 1 0.000000 32.041000 4.881472 16.041873 -14.171795 -6.321191 4.930100 4.863090
|
|
890 890 1 -0.000000 32.041000 2.528420 10.702713 -18.608732 0.296730 3.894810 2.002613
|
|
891 891 1 -0.000000 32.041000 1.164392 9.513451 -11.622271 4.322850 4.133600 0.914680
|
|
892 892 1 -0.000000 32.041000 4.622848 15.525228 20.216657 -2.582910 -4.150190 -1.569630
|
|
893 893 1 -0.000000 32.041000 10.077726 8.282359 -19.492573 -1.360070 -1.808740 -3.943830
|
|
894 894 1 -0.000000 32.041000 6.949252 10.878737 -14.337812 -2.024449 -2.300730 5.213710
|
|
895 895 1 -0.000000 32.041000 2.564798 18.127601 -11.817510 -1.527380 -5.151430 -4.281287
|
|
896 896 1 -0.000000 32.041000 8.774616 18.997366 -14.991048 -4.677760 -0.274890 -0.937736
|
|
897 897 1 -0.000000 32.041000 19.824878 14.534685 -14.687875 -5.605596 -3.735676 -3.529450
|
|
898 898 1 -0.000000 32.041000 10.437540 9.756229 -16.550537 0.447630 -1.448230 4.745150
|
|
899 899 1 -0.000000 32.041000 17.093983 7.525223 -15.630760 -1.740833 -4.246949 2.429280
|
|
900 900 1 -0.000000 32.041000 18.293556 9.631131 -11.610124 6.579520 6.185580 2.284550
|
|
901 901 1 -0.000000 32.041000 15.074623 9.901409 -10.907302 -8.240940 -4.933496 4.705590
|
|
902 902 1 -0.000000 32.041000 8.038217 18.441487 -10.426719 -0.425160 3.332910 -7.473520
|
|
903 903 1 -0.000000 32.041000 19.085448 18.552987 -17.508542 1.270610 1.486340 -2.676220
|
|
904 904 1 0.000000 32.041000 14.234324 12.383935 -18.527854 -1.950489 -6.483320 -3.203188
|
|
905 905 1 -0.000000 32.041000 10.985071 18.174239 20.498974 1.411320 -4.830120 2.038677
|
|
906 906 1 -0.000000 32.041000 17.892440 12.081168 -15.949977 0.941400 -0.821400 4.458870
|
|
907 907 1 0.000000 32.041000 11.646701 12.013996 -12.517217 -1.784790 0.165153 0.525410
|
|
908 908 1 -0.000000 32.041000 15.061758 15.391956 -17.499010 1.043760 4.242180 2.601370
|
|
909 909 1 -0.000000 32.041000 15.756949 13.576010 -12.341660 28.414980 1.782837 -10.774230
|
|
910 910 1 -0.000000 32.041000 14.495654 9.464441 -14.569163 5.016693 3.216560 0.027531
|
|
911 911 1 -0.000000 32.041000 11.986359 16.768724 -12.156244 -6.947990 8.330050 -3.229060
|
|
912 912 1 -0.000000 32.041000 16.607305 17.226591 -12.220909 0.150636 -0.799920 0.289130
|
|
913 913 1 -0.000000 32.041000 13.044599 14.287812 -10.590580 -10.803240 -7.987150 -5.427646
|
|
914 914 1 -0.000000 32.041000 17.652258 15.016153 -9.820251 -6.419854 3.511329 -1.232120
|
|
915 915 1 -0.000000 32.041000 4.485022 11.067343 -7.923160 4.674950 -2.866301 4.431175
|
|
916 916 1 -0.000000 32.041000 0.963101 11.923780 -4.067016 -1.154220 2.414680 -1.601487
|
|
917 917 1 -0.000000 32.041000 4.266896 15.639850 -2.927056 -4.415021 -1.652980 8.376700
|
|
918 918 1 -0.000000 32.041000 8.218242 14.975792 -7.968178 9.158400 -2.842180 5.512586
|
|
919 919 1 -0.000000 32.041000 2.518447 13.876764 -8.635748 -16.478210 2.610480 -13.474680
|
|
920 920 1 -0.000000 32.041000 15.291996 13.996703 -3.094604 1.115950 0.326690 0.461810
|
|
921 921 1 -0.000000 32.041000 5.158192 15.331145 -5.899034 0.410350 -1.529712 3.872349
|
|
922 922 1 -0.000000 32.041000 5.544730 11.001480 -2.973375 3.833570 -1.014250 2.726920
|
|
923 923 1 -0.000000 32.041000 18.996338 7.882171 -8.824015 -3.797510 -4.541770 4.487790
|
|
924 924 1 -0.000000 32.041000 4.503121 18.147945 -8.084238 6.142100 -8.028287 4.584270
|
|
925 925 1 -0.000000 32.041000 8.206171 11.796806 -6.012110 0.461760 5.591080 -3.150510
|
|
926 926 1 -0.000000 32.041000 2.998343 18.353986 -1.489992 2.723380 0.489820 -1.664430
|
|
927 927 1 -0.000000 32.041000 1.743857 19.493312 -7.730518 -6.561970 2.956374 3.565760
|
|
928 928 1 -0.000000 32.041000 14.866307 7.644124 -1.560618 6.358440 0.682020 -2.670630
|
|
929 929 1 -0.000000 32.041000 8.701459 18.133850 -1.521564 0.719164 -4.303600 2.795320
|
|
930 930 1 -0.000000 32.041000 10.529041 9.855001 -8.163646 0.442208 -2.867730 -2.081170
|
|
931 931 1 -0.000000 32.041000 1.804689 7.869622 -7.285322 1.011520 6.319010 1.341649
|
|
932 932 1 0.000000 32.041000 8.712382 18.724682 -5.778393 2.389110 1.947260 -2.836200
|
|
933 933 1 0.000000 32.041000 11.587632 17.532979 -7.664492 -7.284290 3.034312 -1.251755
|
|
934 934 1 -0.000000 32.041000 15.415334 17.265038 -6.608546 6.137806 -7.458910 3.342768
|
|
935 935 1 -0.000000 32.041000 17.502698 14.916256 0.905512 -0.789043 -1.158290 -7.332680
|
|
936 936 1 -0.000000 32.041000 13.556115 13.661071 -6.796792 -0.071310 3.238400 6.769891
|
|
937 937 1 -0.000000 32.041000 18.334838 8.378683 -3.307651 -7.632260 5.056260 -1.209025
|
|
938 938 1 -0.000000 32.041000 10.991511 12.722857 -1.873506 -1.960030 2.427090 -3.702800
|
|
939 939 1 -0.000000 32.041000 11.965718 18.776547 -0.867786 3.512632 0.714310 -8.280160
|
|
940 940 1 -0.000000 32.041000 13.299875 19.739821 -4.026924 -4.753200 2.312620 8.357691
|
|
941 941 1 -0.000000 32.041000 19.170085 19.303686 -7.157785 -3.281580 0.592000 -0.975660
|
|
942 942 1 -0.000000 32.041000 1.807283 14.389184 0.854258 -1.745705 -2.737640 0.333850
|
|
943 943 1 -0.000000 32.041000 12.128891 15.633425 -3.364256 1.610850 -1.127680 1.761520
|
|
944 944 1 0.000000 32.041000 16.153978 11.729476 -6.785659 -2.226840 -0.650700 -2.878660
|
|
945 945 1 -0.000000 32.041000 19.089175 12.324770 -7.788639 -0.379214 -4.216693 -2.566270
|
|
946 946 1 -0.000000 32.041000 9.247613 11.997877 0.858770 7.305790 -1.071667 -6.725600
|
|
947 947 1 -0.000000 32.041000 6.646953 15.580045 0.985703 -0.664660 -5.338640 -0.205630
|
|
948 948 1 -0.000000 32.041000 17.565915 10.439658 1.382500 -2.083190 0.440582 3.839467
|
|
949 949 1 0.000000 32.041000 4.043487 13.965835 8.297093 3.769273 3.728677 -0.943392
|
|
950 950 1 -0.000000 32.041000 2.524964 13.452835 5.398808 3.547800 -5.459800 4.692080
|
|
951 951 1 -0.000000 32.041000 6.275108 13.086668 3.266402 -0.606482 5.714900 3.954360
|
|
952 952 1 -0.000000 32.041000 6.588373 8.930214 8.367365 3.872290 -0.791800 2.808102
|
|
953 953 1 -0.000000 32.041000 12.337016 14.464110 1.697135 -1.022670 2.867566 -0.386855
|
|
954 954 1 0.000000 32.041000 13.833049 8.635110 5.802935 0.053060 -5.283085 0.531230
|
|
955 955 1 -0.000000 32.041000 5.885742 17.416980 4.192685 0.608950 4.289180 0.727530
|
|
956 956 1 -0.000000 32.041000 3.192009 11.105167 1.236848 -0.580265 -4.435500 -1.428360
|
|
957 957 1 -0.000000 32.041000 3.045972 16.970083 3.097906 -6.015480 3.574550 -2.399076
|
|
958 958 1 -0.000000 32.041000 11.524103 19.174540 3.396777 -1.985770 1.781910 4.530690
|
|
959 959 1 -0.000000 32.041000 15.845243 10.982440 11.185109 7.850420 0.883570 5.135740
|
|
960 960 1 -0.000000 32.041000 12.113836 9.752768 0.834039 2.938123 1.944777 3.769757
|
|
961 961 1 -0.000000 32.041000 5.431386 18.459256 9.015751 1.526007 -1.526670 -2.573040
|
|
962 962 1 0.000000 32.041000 18.723251 12.017621 9.273237 5.072132 -3.399360 2.723280
|
|
963 963 1 -0.000000 32.041000 8.195208 12.440805 10.916636 -1.941400 -2.666473 -0.557142
|
|
964 964 1 0.000000 32.041000 14.013363 19.888233 7.794679 3.949060 5.590980 -8.428631
|
|
965 965 1 -0.000000 32.041000 4.567102 11.532896 10.489277 5.029290 -0.925840 4.056770
|
|
966 966 1 -0.000000 32.041000 17.542187 18.957166 8.136525 -14.301070 -9.959760 5.856600
|
|
967 967 1 -0.000000 32.041000 17.208386 17.027969 5.348205 2.980890 8.124240 0.058190
|
|
968 968 1 -0.000000 32.041000 16.640693 14.516853 7.635846 -4.832078 -4.189427 2.084535
|
|
969 969 1 0.000000 32.041000 18.401744 9.246635 4.889374 -0.604001 1.129100 -4.899800
|
|
970 970 1 -0.000000 32.041000 12.003215 11.311264 5.604427 -0.394660 4.520380 0.565665
|
|
971 971 1 -0.000000 32.041000 15.565350 13.119245 2.877754 -5.463862 -12.410500 8.570440
|
|
972 972 1 -0.000000 32.041000 13.836942 16.891805 3.755098 -7.617740 0.867194 -6.149775
|
|
973 973 1 -0.000000 32.041000 13.178268 15.986784 7.176377 1.174644 -3.661949 1.965810
|
|
974 974 1 -0.000000 32.041000 12.144505 12.469073 9.591890 -2.331520 1.288790 -4.993550
|
|
975 975 1 -0.000000 32.041000 3.437703 12.416824 18.159538 4.726250 -2.948170 2.871840
|
|
976 976 1 -0.000000 32.041000 2.709037 16.010872 12.605020 4.429147 2.705228 -2.314435
|
|
977 977 1 -0.000000 32.041000 8.305827 17.222727 14.341813 -1.733930 6.799308 10.368010
|
|
978 978 1 -0.000000 32.041000 2.127128 10.307718 14.130658 -7.262090 0.549520 0.736070
|
|
979 979 1 -0.000000 32.041000 8.200570 9.262040 11.891995 -0.923370 2.871900 -2.828910
|
|
980 980 1 -0.000000 32.041000 6.093582 15.619819 13.037816 -9.789457 -4.309997 -5.698460
|
|
981 981 1 0.000000 32.041000 13.974710 19.590986 11.992961 1.668830 -2.225011 2.095600
|
|
982 982 1 -0.000000 32.041000 12.911101 16.029563 17.509933 -13.088777 -25.441966 8.069090
|
|
983 983 1 -0.000000 32.041000 6.455698 8.795167 14.918495 4.567500 -0.158580 -5.529600
|
|
984 984 1 -0.000000 32.041000 11.255838 17.932707 11.756391 -4.268110 2.071240 -2.437151
|
|
985 985 1 -0.000000 32.041000 19.152115 9.824599 17.366345 0.511590 2.430420 3.422470
|
|
986 986 1 -0.000000 32.041000 4.804585 16.132784 16.769529 -3.665190 1.371030 6.243540
|
|
987 987 1 -0.000000 32.041000 8.306333 9.633449 19.224796 0.313320 -0.111410 -0.651670
|
|
988 988 1 -0.000000 32.041000 8.012476 13.994682 17.479950 -2.138119 3.817360 -1.867604
|
|
989 989 1 -0.000000 32.041000 18.323812 16.408014 12.021851 -3.643540 4.123190 -5.180710
|
|
990 990 1 -0.000000 32.041000 10.350407 15.006235 13.465847 3.550500 -6.155147 -0.102690
|
|
991 991 1 -0.000000 32.041000 8.011331 17.189886 19.327729 3.680261 1.804373 -6.096990
|
|
992 992 1 0.000000 32.041000 17.120474 16.549652 16.075759 0.458460 8.650740 -5.741999
|
|
993 993 1 -0.000000 32.041000 16.920127 14.620416 18.565426 -1.087105 -5.591720 9.819730
|
|
994 994 1 -0.000000 32.041000 18.373862 11.753709 13.734710 -5.892569 -5.462589 -7.290680
|
|
995 995 1 -0.000000 32.041000 13.849458 13.643411 15.680178 -3.175000 5.876700 -10.937963
|
|
996 996 1 -0.000000 32.041000 10.540192 10.917705 17.174942 -4.501790 -2.820907 2.757799
|
|
997 997 1 0.000000 32.041000 15.854631 9.730256 19.158349 -0.850910 0.110830 -5.003660
|
|
998 998 1 -0.000000 32.041000 14.931325 10.778469 16.148759 6.158920 -7.833660 7.153610
|
|
999 999 1 -0.000000 32.041000 10.999781 9.773510 14.194425 4.942734 -3.655830 -2.409660
|
|
1000 1000 1 -0.000000 32.041000 14.421460 18.685361 16.320090 11.912590 25.103160 3.674010
|
|
ITEM: TIMESTEP
|
|
1000
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -15.678535 -12.566139 -17.004370 -0.136760 1.694372 -7.820350
|
|
2 2 1 -0.000000 32.041000 -14.400364 -10.292601 -15.354621 6.086212 0.833570 5.001850
|
|
3 3 1 0.000000 32.041000 -20.663830 -11.483675 -19.737966 1.451678 -1.534461 6.600780
|
|
4 4 1 -0.000000 32.041000 -15.984067 -11.895903 -20.609955 1.867670 8.503020 -0.029130
|
|
5 5 1 -0.000000 32.041000 -8.021850 -20.197289 -13.300806 -0.596480 -0.222686 2.478090
|
|
6 6 1 -0.000000 32.041000 -12.068646 -9.301055 -18.636946 2.829980 -0.002409 5.547910
|
|
7 7 1 -0.000000 32.041000 -16.937100 -13.645012 -13.392462 1.786283 0.936280 7.302070
|
|
8 8 1 -0.000000 32.041000 -1.068802 19.830675 -11.949756 0.260460 -0.006980 -8.231290
|
|
9 9 1 -0.000000 32.041000 -20.060776 -13.614155 -14.561691 -2.352530 -4.780970 -2.663350
|
|
10 10 1 -0.000000 32.041000 -13.891251 -16.292846 -18.283576 3.426391 0.254040 4.168060
|
|
11 11 1 -0.000000 32.041000 -15.564612 -18.322399 -13.740792 0.331270 -0.580087 -2.776538
|
|
12 12 1 -0.000000 32.041000 -1.134653 -17.569728 -15.823912 3.552141 -2.137410 -2.760080
|
|
13 13 1 -0.000000 32.041000 -12.287655 -14.792263 -14.000033 -0.201830 1.756450 -1.580760
|
|
14 14 1 -0.000000 32.041000 -14.359150 -19.840241 -18.516039 0.793280 0.993281 -6.985910
|
|
15 15 1 -0.000000 32.041000 -10.850629 -17.832102 -16.810466 -6.809990 7.412550 -7.250903
|
|
16 16 1 -0.000000 32.041000 -11.529343 -8.852433 -15.524956 -13.476180 -0.667730 -0.526577
|
|
17 17 1 -0.000000 32.041000 -18.315989 -17.633752 -12.172076 -11.994026 -2.095160 -2.893110
|
|
18 18 1 -0.000000 32.041000 20.137995 -11.191299 -11.447372 0.753590 0.803480 9.362870
|
|
19 19 1 0.000000 32.041000 -6.886981 -17.439363 20.132091 -4.487860 7.912370 -8.600830
|
|
20 20 1 -0.000000 32.041000 -17.382055 -18.529246 -18.267785 2.387224 1.286210 -0.445287
|
|
21 21 1 -0.000000 32.041000 20.475940 -8.120246 -16.219022 -3.042772 0.683880 2.290220
|
|
22 22 1 -0.000000 32.041000 -13.930851 -8.024825 19.904417 -0.578732 3.924044 -6.216390
|
|
23 23 1 -0.000000 32.041000 -12.541232 -12.259740 -11.789802 1.858080 -3.348415 -1.474400
|
|
24 24 1 -0.000000 32.041000 -15.484626 -5.948182 -17.260825 -0.997302 -1.346120 -4.218210
|
|
25 25 1 0.000000 32.041000 -6.336943 -12.004733 -20.630903 3.474420 2.708470 1.413045
|
|
26 26 1 -0.000000 32.041000 -17.594524 -8.070393 -13.542982 -1.377416 1.917740 -0.496820
|
|
27 27 1 -0.000000 32.041000 -14.285185 -16.802407 -10.894495 11.031474 3.632074 5.171650
|
|
28 28 1 -0.000000 32.041000 -6.887282 -16.238464 -11.470161 -0.573958 0.280230 -1.647314
|
|
29 29 1 -0.000000 32.041000 -9.998044 -6.164832 -16.215470 -7.365260 -1.735900 7.537103
|
|
30 30 1 -0.000000 32.041000 -0.025698 -8.572575 -18.921177 4.214160 0.706969 -2.742360
|
|
31 31 1 -0.000000 32.041000 -7.424108 -20.411108 -17.860981 2.087810 -5.143850 -3.042970
|
|
32 32 1 -0.000000 32.041000 -16.928257 -11.407079 -11.078081 -1.119320 -0.777750 -7.148270
|
|
33 33 1 0.000000 32.041000 -4.167586 -10.469295 -14.632902 2.343290 1.692817 2.255429
|
|
34 34 1 -0.000000 32.041000 -7.456609 -7.744921 -14.603563 6.241630 0.011919 4.740680
|
|
35 35 1 -0.000000 32.041000 -19.495399 -7.223688 -10.889683 -0.289076 -2.858610 -5.160110
|
|
36 36 1 -0.000000 32.041000 -11.009856 -16.940757 -9.687548 -0.298820 -5.468509 -1.527070
|
|
37 37 1 -0.000000 32.041000 -10.708960 -13.483875 -17.208864 -5.806020 -3.043238 4.355970
|
|
38 38 1 -0.000000 32.041000 -3.036998 -12.964034 -11.562654 -5.854890 -3.839315 2.367711
|
|
39 39 1 -0.000000 32.041000 -11.396056 -20.452530 -13.821513 1.632970 8.115730 -5.227250
|
|
40 40 1 -0.000000 32.041000 -0.931218 -8.334955 -14.882344 -1.089291 1.501920 3.263710
|
|
41 41 1 -0.000000 32.041000 -14.614900 -6.095613 -13.440582 0.288770 5.900160 6.698249
|
|
42 42 1 -0.000000 32.041000 -6.151936 -10.265764 -10.262006 1.225250 1.979070 -0.867480
|
|
43 43 1 -0.000000 32.041000 -17.848742 -5.828504 -19.725801 -1.395970 7.136798 3.437884
|
|
44 44 1 -0.000000 32.041000 -2.758045 -8.068916 -10.200912 2.560820 1.154034 0.756040
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857 857 1 -0.000000 32.041000 19.260877 -5.786740 16.531137 2.106400 0.989540 -0.511220
|
|
858 858 1 -0.000000 32.041000 17.610057 6.559546 17.583648 3.969887 -7.216730 -4.822596
|
|
859 859 1 0.000000 32.041000 3.895567 -5.065267 13.912128 -2.499034 -1.091502 -1.401330
|
|
860 860 1 -0.000000 32.041000 8.923857 6.254949 14.987412 -1.311420 2.348423 -1.901030
|
|
861 861 1 -0.000000 32.041000 7.301599 3.598609 18.363083 -1.909789 -0.044910 -2.015350
|
|
862 862 1 -0.000000 32.041000 11.842092 1.057022 19.292922 0.834120 -1.885503 -1.020780
|
|
863 863 1 0.000000 32.041000 13.926627 -1.235267 17.554872 -5.807370 -0.224310 4.415840
|
|
864 864 1 -0.000000 32.041000 12.453283 5.985124 16.225608 2.405490 0.392910 0.719890
|
|
865 865 1 -0.000000 32.041000 18.877204 6.963250 13.389330 1.925850 -5.526080 1.967642
|
|
866 866 1 -0.000000 32.041000 3.540317 7.762583 13.377440 1.721420 3.145966 0.084100
|
|
867 867 1 -0.000000 32.041000 12.832554 -1.666684 13.304602 9.552890 -4.444180 -0.385034
|
|
868 868 1 0.000000 32.041000 17.457638 3.912769 13.280272 0.248910 -0.298450 1.722250
|
|
869 869 1 -0.000000 32.041000 16.683702 -0.684544 15.796547 6.005765 5.692753 -0.441480
|
|
870 870 1 -0.000000 32.041000 13.596418 1.393959 15.006464 2.746430 4.600830 -3.377170
|
|
871 871 1 -0.000000 32.041000 2.999891 7.347491 17.258984 1.759035 9.440310 0.095710
|
|
872 872 1 0.000000 32.041000 13.701686 -4.865855 19.083749 3.404731 -5.260760 -3.514430
|
|
873 873 1 -0.000000 32.041000 17.995166 2.655309 16.563114 -3.381416 -2.199729 -6.303730
|
|
874 874 1 -0.000000 32.041000 8.244649 13.947035 -14.777722 3.248980 6.304710 -4.255270
|
|
875 875 1 -0.000000 32.041000 6.962936 11.715753 -17.970690 -1.081190 2.387739 -5.221277
|
|
876 876 1 -0.000000 32.041000 8.147689 16.238245 -17.425658 5.582830 0.550380 1.209960
|
|
877 877 1 -0.000000 32.041000 11.265122 14.253224 -16.605292 -4.229330 2.889270 -1.576050
|
|
878 878 1 -0.000000 32.041000 4.400831 19.702652 -18.065576 5.718640 1.608953 -3.267020
|
|
879 879 1 0.000000 32.041000 13.518050 10.002073 -18.152753 -11.916230 -18.152820 -0.243960
|
|
880 880 1 -0.000000 32.041000 9.530724 13.354125 -19.881595 -1.160780 -0.188860 1.365585
|
|
881 881 1 -0.000000 32.041000 5.686350 8.777451 -17.885011 -0.280240 0.589710 3.890170
|
|
882 882 1 0.000000 32.041000 11.599378 7.549971 -14.530201 -5.014670 -0.056270 -1.922268
|
|
883 883 1 -0.000000 32.041000 2.722829 11.544297 -14.921877 1.850290 -3.272750 2.269120
|
|
884 884 1 -0.000000 32.041000 5.708448 13.399987 -11.485758 -14.456200 24.264628 16.520858
|
|
885 885 1 0.000000 32.041000 4.992036 16.487225 -13.658175 11.925930 -10.065370 -7.598610
|
|
886 886 1 -0.000000 32.041000 2.746864 10.724554 -18.964255 -0.462606 -2.676130 -2.810422
|
|
887 887 1 -0.000000 32.041000 2.425278 9.632118 -12.165493 -5.838534 3.109737 -4.664860
|
|
888 888 1 -0.000000 32.041000 4.711830 14.907821 -20.632309 -2.414010 1.549746 5.828611
|
|
889 889 1 -0.000000 32.041000 10.030556 8.153484 -20.152900 -1.668670 1.776340 1.989580
|
|
890 890 1 -0.000000 32.041000 0.784491 8.923232 -20.664642 -1.215740 -3.825400 3.811547
|
|
891 891 1 -0.000000 32.041000 6.764749 10.944466 -13.518679 14.052340 -21.648287 -18.518750
|
|
892 892 1 -0.000000 32.041000 2.347246 17.321979 -12.347681 -12.156800 7.196119 8.236200
|
|
893 893 1 -0.000000 32.041000 9.699585 18.608790 -15.559895 5.501989 -9.943000 -2.603950
|
|
894 894 1 -0.000000 32.041000 10.314143 9.988861 -16.707527 2.045674 -3.561203 0.965952
|
|
895 895 1 -0.000000 32.041000 17.247057 7.972769 -15.799875 -2.512760 1.760663 2.310370
|
|
896 896 1 -0.000000 32.041000 18.817839 8.886238 -11.970291 -5.139820 5.022320 -1.162240
|
|
897 897 1 -0.000000 32.041000 15.470494 10.327253 -10.598829 -2.708460 -5.581310 -4.278130
|
|
898 898 1 0.000000 32.041000 7.744484 18.267443 -10.007775 -2.220380 7.023130 -12.768538
|
|
899 899 1 -0.000000 32.041000 18.943359 18.407494 -18.093463 -4.481960 -4.234416 -0.942766
|
|
900 900 1 0.000000 32.041000 14.625400 13.123492 -18.851029 11.684000 18.043784 -1.341057
|
|
901 901 1 -0.000000 32.041000 11.465867 18.108434 -19.759859 -3.735150 -0.660500 0.442022
|
|
902 902 1 -0.000000 32.041000 17.943509 12.185873 -15.710422 9.419590 -10.104940 -5.865982
|
|
903 903 1 0.000000 32.041000 10.724049 12.262969 -12.388517 0.638210 -12.872822 -0.549660
|
|
904 904 1 -0.000000 32.041000 15.669806 15.272939 -16.541941 -9.866296 4.725440 -5.929830
|
|
905 905 1 -0.000000 32.041000 16.446055 14.210405 -12.729671 -10.192060 0.217340 8.231050
|
|
906 906 1 -0.000000 32.041000 14.812506 10.259853 -14.217610 2.736910 -4.189310 2.085670
|
|
907 907 1 -0.000000 32.041000 11.802016 16.683676 -12.515082 -2.226338 -0.115090 -1.109320
|
|
908 908 1 -0.000000 32.041000 15.731052 17.828180 -12.005142 5.917480 2.426310 0.045760
|
|
909 909 1 -0.000000 32.041000 13.090106 13.923465 -11.330938 6.707050 6.942360 2.538246
|
|
910 910 1 0.000000 32.041000 15.415432 9.441442 19.033347 -10.566630 -1.353715 2.509700
|
|
911 911 1 -0.000000 32.041000 17.368356 15.696981 -9.774133 -3.871090 1.680298 0.407410
|
|
912 912 1 -0.000000 32.041000 4.548284 11.138809 -8.275219 7.538650 11.493190 10.961625
|
|
913 913 1 -0.000000 32.041000 4.326529 14.806903 -2.587361 0.178143 6.493460 5.043340
|
|
914 914 1 -0.000000 32.041000 8.094525 14.864867 -7.880653 15.638766 16.683491 -6.580800
|
|
915 915 1 0.000000 32.041000 2.425844 13.909654 -8.957235 -0.556070 -5.272371 1.309680
|
|
916 916 1 -0.000000 32.041000 15.314793 14.140786 -2.952741 -3.141997 -0.139875 0.045093
|
|
917 917 1 -0.000000 32.041000 4.912696 15.209550 -5.710090 -7.670530 0.194000 -2.384959
|
|
918 918 1 -0.000000 32.041000 5.056308 10.798614 -2.962433 0.664070 -8.973168 -0.868860
|
|
919 919 1 -0.000000 32.041000 18.236702 7.892819 -8.608673 12.332293 2.364520 1.457610
|
|
920 920 1 -0.000000 32.041000 4.287336 17.562394 -7.980629 6.082280 -3.707925 1.171400
|
|
921 921 1 -0.000000 32.041000 7.607765 12.070744 -6.369474 -9.674480 -16.388076 2.130770
|
|
922 922 1 -0.000000 32.041000 3.203641 18.241223 -1.585710 -1.421110 -0.690230 -3.361430
|
|
923 923 1 -0.000000 32.041000 1.362628 19.047759 -7.603883 -1.581000 6.976330 3.660810
|
|
924 924 1 -0.000000 32.041000 8.558330 18.524583 -1.550242 -2.809731 -0.315980 -3.474210
|
|
925 925 1 -0.000000 32.041000 11.015281 9.918855 -7.892496 -6.525620 3.838220 -7.074750
|
|
926 926 1 -0.000000 32.041000 2.484224 7.697772 -7.881150 -7.402730 -5.466780 -3.392480
|
|
927 927 1 0.000000 32.041000 8.032009 19.113364 -6.586929 -0.073666 -1.186745 7.242510
|
|
928 928 1 -0.000000 32.041000 19.673938 16.550314 -6.234504 2.597520 0.937980 1.979150
|
|
929 929 1 0.000000 32.041000 11.098895 18.088649 -7.366749 7.368340 -2.102880 2.021418
|
|
930 930 1 -0.000000 32.041000 14.500037 19.735136 -7.787280 -12.744051 1.535440 -8.247084
|
|
931 931 1 -0.000000 32.041000 15.548825 17.160211 -6.127941 2.946265 0.156820 2.010610
|
|
932 932 1 -0.000000 32.041000 17.073325 14.722731 0.897743 6.413391 4.575780 0.070180
|
|
933 933 1 -0.000000 32.041000 14.225518 14.243987 -7.014757 -2.273140 1.310640 0.032998
|
|
934 934 1 -0.000000 32.041000 17.510924 8.754758 -3.399620 -0.252000 -2.937750 -3.289470
|
|
935 935 1 -0.000000 32.041000 9.738977 13.191509 -2.231075 -2.093406 2.779875 3.067455
|
|
936 936 1 -0.000000 32.041000 13.104155 19.959735 -3.530844 1.510900 0.463570 1.422810
|
|
937 937 1 -0.000000 32.041000 12.730894 18.476809 -0.319898 1.452800 3.792560 -4.018310
|
|
938 938 1 -0.000000 32.041000 5.706442 16.589775 1.070110 1.866570 -2.992352 7.619700
|
|
939 939 1 -0.000000 32.041000 1.258967 14.016618 -0.063424 -0.243626 -2.472650 -2.641280
|
|
940 940 1 -0.000000 32.041000 11.977547 15.453115 -3.706470 1.346610 -3.146430 1.003398
|
|
941 941 1 0.000000 32.041000 15.699249 11.513629 -6.669945 2.608010 -5.537724 2.415633
|
|
942 942 1 -0.000000 32.041000 18.621824 11.192466 -8.409879 -1.925930 5.370064 0.357090
|
|
943 943 1 -0.000000 32.041000 16.869068 10.158378 1.259547 -0.473620 1.412610 3.979470
|
|
944 944 1 -0.000000 32.041000 2.987046 10.567611 0.810593 -1.381808 1.637460 2.306382
|
|
945 945 1 0.000000 32.041000 12.591161 14.307278 1.199632 3.293630 2.029698 -1.307910
|
|
946 946 1 0.000000 32.041000 4.905905 13.575859 8.444313 -7.249600 4.899370 -8.712702
|
|
947 947 1 -0.000000 32.041000 2.856975 12.703931 5.905676 -1.905140 -1.321660 1.034307
|
|
948 948 1 -0.000000 32.041000 6.390037 13.777167 3.121299 -0.065420 -2.879080 -2.560820
|
|
949 949 1 -0.000000 32.041000 6.596509 8.226129 7.965314 -0.392950 2.128990 0.510680
|
|
950 950 1 0.000000 32.041000 13.422334 9.224797 5.268620 2.901040 3.037264 6.094550
|
|
951 951 1 -0.000000 32.041000 6.093331 17.645319 4.453952 0.845660 7.271230 -6.566770
|
|
952 952 1 -0.000000 32.041000 0.764044 15.731985 6.929146 -4.799650 -10.409760 0.288500
|
|
953 953 1 -0.000000 32.041000 2.974485 16.603225 4.137642 -1.157910 -3.600610 -1.992169
|
|
954 954 1 -0.000000 32.041000 10.000848 12.476125 0.949946 -3.868260 0.436170 -3.883900
|
|
955 955 1 0.000000 32.041000 1.419685 8.716025 6.581881 6.923780 1.341601 6.866010
|
|
956 956 1 -0.000000 32.041000 11.572501 19.381457 3.342596 12.520320 -7.198010 5.662110
|
|
957 957 1 -0.000000 32.041000 12.605621 9.957302 0.620981 2.258340 -3.222850 -1.852520
|
|
958 958 1 -0.000000 32.041000 5.834877 18.454181 8.265062 1.993740 -1.049070 4.895370
|
|
959 959 1 -0.000000 32.041000 18.103890 12.532699 9.412815 5.341210 4.967330 -6.703200
|
|
960 960 1 0.000000 32.041000 9.318195 19.298682 7.480179 -18.087990 -2.237570 15.325420
|
|
961 961 1 -0.000000 32.041000 1.728569 19.442572 7.179477 7.933850 14.335760 -1.746070
|
|
962 962 1 -0.000000 32.041000 16.822660 18.492346 8.121404 5.132567 0.100255 -3.609450
|
|
963 963 1 -0.000000 32.041000 16.971580 16.532380 5.728491 2.128720 0.651220 -2.947120
|
|
964 964 1 -0.000000 32.041000 15.880366 14.046229 7.700549 3.918760 -0.481840 6.960720
|
|
965 965 1 0.000000 32.041000 17.517590 8.975993 4.564031 4.154415 -1.233812 -3.014540
|
|
966 966 1 -0.000000 32.041000 12.494742 12.666503 6.037870 -1.389010 -6.358909 -6.569850
|
|
967 967 1 -0.000000 32.041000 16.209175 12.815566 3.686863 -3.051869 -7.656187 -2.938380
|
|
968 968 1 -0.000000 32.041000 11.456938 17.601389 11.764545 -0.635000 1.211830 0.100858
|
|
969 969 1 -0.000000 32.041000 13.733087 16.495432 3.509485 -2.788820 2.743431 -5.456230
|
|
970 970 1 -0.000000 32.041000 12.766538 16.633597 6.684420 6.308730 -5.899889 0.573388
|
|
971 971 1 -0.000000 32.041000 11.842335 12.136398 9.557612 -3.499074 2.868470 2.548730
|
|
972 972 1 -0.000000 32.041000 7.651209 12.698993 10.106132 2.582023 -4.277710 9.393713
|
|
973 973 1 0.000000 32.041000 14.720188 19.397044 11.205830 -5.805480 1.817990 6.401543
|
|
974 974 1 -0.000000 32.041000 16.001434 10.865037 10.902819 -1.864144 1.600160 3.232350
|
|
975 975 1 -0.000000 32.041000 3.260326 10.961884 18.051135 -1.089650 -2.272940 -0.183760
|
|
976 976 1 -0.000000 32.041000 2.421839 16.382078 12.503961 2.149690 -2.782080 1.123457
|
|
977 977 1 -0.000000 32.041000 7.494832 17.121488 15.386342 4.083404 1.091900 -2.105011
|
|
978 978 1 -0.000000 32.041000 0.949619 9.947137 14.239620 0.460616 -4.358310 -4.744220
|
|
979 979 1 -0.000000 32.041000 7.416367 9.090646 11.485903 -0.559664 0.811890 1.015430
|
|
980 980 1 -0.000000 32.041000 4.482806 12.122069 11.634664 0.925010 -3.027490 -0.752370
|
|
981 981 1 -0.000000 32.041000 5.164128 14.887111 13.750226 -0.572071 1.511654 0.816050
|
|
982 982 1 -0.000000 32.041000 1.166984 18.902066 19.151397 -9.860200 -11.938040 1.992920
|
|
983 983 1 -0.000000 32.041000 12.199475 16.101302 16.732086 1.463590 3.342290 2.933620
|
|
984 984 1 -0.000000 32.041000 6.323936 8.911147 15.080242 -0.384180 -0.335120 -3.411915
|
|
985 985 1 -0.000000 32.041000 18.794398 9.624598 18.141415 10.705324 9.692730 -4.162660
|
|
986 986 1 -0.000000 32.041000 4.029656 16.145844 17.546373 2.435020 -0.877697 -8.094830
|
|
987 987 1 -0.000000 32.041000 7.432311 9.698075 19.189594 2.366810 6.605862 -2.451150
|
|
988 988 1 -0.000000 32.041000 6.717697 13.990917 17.846433 -1.832694 1.622620 1.865945
|
|
989 989 1 -0.000000 32.041000 18.000492 16.466717 11.904416 -3.560010 0.743400 -5.026140
|
|
990 990 1 -0.000000 32.041000 10.629413 14.802180 13.798275 -0.006450 2.530750 -4.801240
|
|
991 991 1 0.000000 32.041000 17.589936 17.878873 19.901936 2.645794 -0.706470 3.655005
|
|
992 992 1 -0.000000 32.041000 7.580712 17.463879 20.001292 2.530260 -0.364790 -0.932550
|
|
993 993 1 0.000000 32.041000 16.943006 17.013591 16.044345 -1.173661 0.840860 -3.231176
|
|
994 994 1 -0.000000 32.041000 17.491655 14.446064 18.559085 -7.149120 2.944231 10.935110
|
|
995 995 1 -0.000000 32.041000 18.428865 11.505673 13.777603 -10.751610 -1.812771 -1.028310
|
|
996 996 1 -0.000000 32.041000 14.441872 13.595217 15.535647 -1.197277 -4.699377 1.801110
|
|
997 997 1 -0.000000 32.041000 10.059361 10.892568 17.287613 -2.312002 -1.927750 3.376695
|
|
998 998 1 -0.000000 32.041000 14.324038 10.183826 15.649333 1.619360 4.184310 1.234120
|
|
999 999 1 -0.000000 32.041000 10.186250 9.463228 14.298779 0.695130 -3.675210 -1.631250
|
|
1000 1000 1 -0.000000 32.041000 14.219287 19.178591 16.144250 -3.987430 -2.644260 10.866200
|
|
ITEM: TIMESTEP
|
|
1250
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -16.220014 -11.920351 -17.611738 1.470190 0.106020 -1.964450
|
|
2 2 1 -0.000000 32.041000 -14.914192 -10.077884 -15.053230 3.222269 -0.979370 -3.983420
|
|
3 3 1 0.000000 32.041000 -1.496183 20.462890 -12.178536 -0.650620 -1.171161 -0.615290
|
|
4 4 1 -0.000000 32.041000 -16.100595 -11.977437 20.260369 -0.062790 3.626248 1.936837
|
|
5 5 1 -0.000000 32.041000 -12.121169 -9.235500 -18.583502 0.725200 3.629700 -0.743247
|
|
6 6 1 -0.000000 32.041000 -16.757701 -14.165612 -13.781649 2.746970 8.175650 4.014440
|
|
7 7 1 -0.000000 32.041000 -19.563808 -12.962352 -14.313463 -3.858790 0.509840 -2.761377
|
|
8 8 1 -0.000000 32.041000 -13.746520 -15.661370 -18.247653 -0.151042 -2.639920 1.547310
|
|
9 9 1 -0.000000 32.041000 -15.581149 -17.672040 -13.614831 4.265730 -6.490620 -4.756080
|
|
10 10 1 0.000000 32.041000 20.502560 -11.165505 -19.890368 -1.561600 6.827430 0.540450
|
|
11 11 1 -0.000000 32.041000 -12.106904 -13.932149 -13.767202 -4.053320 2.521080 3.600797
|
|
12 12 1 -0.000000 32.041000 -13.248224 -19.385028 -18.333886 -7.492280 -1.839834 -8.076460
|
|
13 13 1 -0.000000 32.041000 -11.878455 -8.880015 -15.262862 -3.571785 -0.252930 -2.281147
|
|
14 14 1 -0.000000 32.041000 -18.742720 -17.666877 -12.613477 -7.291120 -5.223340 8.259970
|
|
15 15 1 -0.000000 32.041000 -15.716066 -6.202504 -17.919030 6.257300 -1.523660 3.192440
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990 990 1 -0.000000 32.041000 11.478629 17.891975 11.996295 -0.371530 1.787080 1.014000
|
|
991 991 1 -0.000000 32.041000 17.272210 16.779245 11.670132 12.153160 -16.282851 -1.205300
|
|
992 992 1 -0.000000 32.041000 12.291793 15.840998 17.443121 -1.239070 -0.110718 -3.679276
|
|
993 993 1 -0.000000 32.041000 19.443303 13.946229 14.355401 0.983730 -2.934960 2.517730
|
|
994 994 1 -0.000000 32.041000 17.955950 10.335868 17.949302 -1.703750 -1.291980 1.477570
|
|
995 995 1 0.000000 32.041000 14.540133 9.164133 18.291078 1.172900 -2.125673 4.178410
|
|
996 996 1 0.000000 32.041000 16.233621 17.919249 15.780212 7.768420 -16.063410 -1.777560
|
|
997 997 1 -0.000000 32.041000 16.491142 15.652619 18.734450 2.352360 -8.893900 -5.050350
|
|
998 998 1 -0.000000 32.041000 14.611339 13.618805 15.529323 -1.068640 1.768750 0.592978
|
|
999 999 1 -0.000000 32.041000 13.941764 10.475548 15.215943 0.242340 3.762006 -2.699160
|
|
1000 1000 1 -0.000000 32.041000 13.537217 18.937560 16.663274 -12.822940 0.457180 0.089110
|
|
ITEM: TIMESTEP
|
|
1500
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -17.066903 -11.152705 -18.419027 0.015351 2.429270 13.194060
|
|
2 2 1 -0.000000 32.041000 -15.049235 -10.495573 -15.745852 5.102630 2.694600 -1.280812
|
|
3 3 1 0.000000 32.041000 -1.663893 -20.472630 -13.431041 2.785200 -2.780790 4.055085
|
|
4 4 1 -0.000000 32.041000 -5.966338 -17.155780 -20.095420 0.586272 2.211250 -7.753130
|
|
5 5 1 -0.000000 32.041000 -12.011295 -8.832605 -18.394607 -5.608400 -1.397820 3.868190
|
|
6 6 1 -0.000000 32.041000 -17.170788 -13.313393 -13.728188 -3.427863 -4.210040 -4.987240
|
|
7 7 1 -0.000000 32.041000 -20.044373 -11.947091 -14.541606 1.483953 -0.535906 1.503420
|
|
8 8 1 -0.000000 32.041000 -13.864161 -15.549303 -17.954487 0.819160 -2.353380 3.598470
|
|
9 9 1 -0.000000 32.041000 -15.341374 -17.853506 -13.668696 1.022680 -2.759781 -5.905352
|
|
10 10 1 0.000000 32.041000 20.511840 -10.570348 -19.926893 0.553360 1.989880 4.284410
|
|
11 11 1 -0.000000 32.041000 -11.652513 -13.508170 -13.698749 -9.955700 0.059040 8.767649
|
|
12 12 1 -0.000000 32.041000 -13.832529 -19.309305 -18.728628 -0.568040 1.809242 1.994904
|
|
13 13 1 -0.000000 32.041000 -11.912213 -9.245025 -14.776199 -0.313490 3.150320 -10.878426
|
|
14 14 1 -0.000000 32.041000 -18.679235 -17.885215 -12.923793 0.371570 0.819600 4.198600
|
|
15 15 1 -0.000000 32.041000 -15.682384 -6.547257 -17.693469 -2.736140 5.521343 -2.817666
|
|
16 16 1 -0.000000 32.041000 -16.992100 -19.329475 -17.703102 2.312250 -1.384407 2.712026
|
|
17 17 1 0.000000 32.041000 -20.182373 -7.558511 -16.031098 -6.463530 -1.967092 -1.137836
|
|
18 18 1 -0.000000 32.041000 0.962484 -13.130362 -14.242770 1.843030 -2.611030 -4.586580
|
|
19 19 1 -0.000000 32.041000 -7.806772 -20.374828 -17.982808 -3.777360 -2.298410 -0.892910
|
|
20 20 1 -0.000000 32.041000 -19.636526 -7.899392 -12.256322 4.465180 -1.848870 -6.671090
|
|
21 21 1 0.000000 32.041000 -16.460659 -6.721207 -13.237005 -0.463510 -3.729500 2.045410
|
|
22 22 1 -0.000000 32.041000 -14.341492 -17.406974 -10.703595 -2.098420 -1.381000 1.093643
|
|
23 23 1 -0.000000 32.041000 -16.483810 -11.301063 -10.938731 1.773430 0.096076 2.297720
|
|
24 24 1 -0.000000 32.041000 -10.075701 -12.675981 -16.287817 4.961959 0.846970 -3.535450
|
|
25 25 1 -0.000000 32.041000 -11.744854 -10.966761 -11.002058 9.332690 -0.710820 -16.397730
|
|
26 26 1 -0.000000 32.041000 -11.065974 -19.903394 -13.519976 11.391370 2.022075 -3.904890
|
|
27 27 1 -0.000000 32.041000 -11.006000 -16.587449 -16.027985 -1.186870 -2.538130 -3.409460
|
|
28 28 1 -0.000000 32.041000 -13.637956 -7.034388 -11.800771 -8.880550 1.123810 -5.168480
|
|
29 29 1 -0.000000 32.041000 -1.028822 -10.471270 -19.285555 -1.188731 3.462079 0.340010
|
|
30 30 1 -0.000000 32.041000 -3.315771 -12.273782 -10.991791 -0.171136 4.538583 1.126580
|
|
31 31 1 -0.000000 32.041000 -3.213361 -6.830018 -14.762400 -5.006730 0.709100 -1.329590
|
|
32 32 1 -0.000000 32.041000 -10.679130 -16.414346 19.889623 -1.788970 -0.701290 -4.873950
|
|
33 33 1 -0.000000 32.041000 -20.397941 -15.142966 -16.015101 1.099488 4.007710 1.354780
|
|
34 34 1 -0.000000 32.041000 -0.315513 -15.285764 -11.240598 1.099520 -2.358370 -0.092580
|
|
35 35 1 -0.000000 32.041000 -0.440130 -19.191121 -18.706715 11.821139 2.251560 0.382910
|
|
36 36 1 -0.000000 32.041000 -18.434234 -16.303731 -19.958499 -4.953135 1.571700 -0.764710
|
|
37 37 1 0.000000 32.041000 20.199596 -11.287217 -10.369783 -0.699951 1.982160 -7.329210
|
|
38 38 1 0.000000 32.041000 -1.941629 -17.259910 -16.137179 -2.873710 4.833440 2.928659
|
|
39 39 1 -0.000000 32.041000 -8.056127 -13.097953 -20.183075 3.570946 1.081310 -4.889580
|
|
40 40 1 -0.000000 32.041000 -6.528167 -15.336366 -11.825069 -0.520788 -2.506060 6.199460
|
|
41 41 1 0.000000 32.041000 -3.521564 -11.811403 -14.514021 0.086200 -3.744900 0.080610
|
|
42 42 1 -0.000000 32.041000 -11.206725 -16.938225 -9.723248 3.197840 -0.989200 1.788990
|
|
43 43 1 -0.000000 32.041000 -7.661348 -6.262747 -13.931413 -7.992200 0.230550 -8.168680
|
|
44 44 1 -0.000000 32.041000 -0.766822 -8.634462 -14.839759 0.751303 -0.715270 0.758440
|
|
45 45 1 -0.000000 32.041000 -6.805241 -9.600046 -11.352292 4.565330 3.344600 6.862550
|
|
46 46 1 -0.000000 32.041000 -4.990894 -12.879772 -18.554427 3.356540 -3.113000 -0.349990
|
|
47 47 1 -0.000000 32.041000 -4.065491 -8.588954 -18.958331 -4.662880 1.271680 4.359240
|
|
48 48 1 -0.000000 32.041000 -5.036685 -18.438137 -15.806589 1.175850 -3.390084 -1.435030
|
|
49 49 1 -0.000000 32.041000 -7.465789 20.600447 -13.469242 -2.781960 -0.004330 -0.839940
|
|
50 50 1 -0.000000 32.041000 -18.689878 -6.300455 -19.797156 5.409910 2.983140 3.920370
|
|
51 51 1 -0.000000 32.041000 -2.696651 -16.183046 -19.852860 -3.869683 1.549910 -6.712490
|
|
52 52 1 -0.000000 32.041000 -6.120399 -15.283969 -16.326372 -5.412010 3.005669 -0.805030
|
|
53 53 1 -0.000000 32.041000 -8.575251 -13.021312 -11.050806 1.665995 1.833420 -2.492550
|
|
54 54 1 -0.000000 32.041000 -7.532178 -10.742939 -15.674500 -0.123478 3.327730 -1.468103
|
|
55 55 1 -0.000000 32.041000 -0.697483 -10.615138 -9.791788 3.381885 -5.506102 -5.661507
|
|
56 56 1 -0.000000 32.041000 -3.488407 -19.284812 19.702808 -1.532142 0.665120 -0.660340
|
|
57 57 1 0.000000 32.041000 19.700702 -15.105857 -12.754235 -0.919800 -0.351500 4.533120
|
|
58 58 1 -0.000000 32.041000 -6.047163 -19.466734 -9.935234 1.198260 1.486114 -4.927240
|
|
59 59 1 -0.000000 32.041000 -18.199297 -14.233064 -9.729692 -3.615820 -1.519090 0.595200
|
|
60 60 1 0.000000 32.041000 -17.243514 -16.098979 -6.557617 6.342240 1.047040 -2.500940
|
|
61 61 1 -0.000000 32.041000 -13.658471 -13.141879 -9.203279 -4.931857 -2.856480 21.403891
|
|
62 62 1 -0.000000 32.041000 -18.313229 -18.582221 -2.094508 2.820612 -0.942150 1.465150
|
|
63 63 1 -0.000000 32.041000 -15.429051 -11.432237 -1.891698 1.825925 -6.084230 -6.304290
|
|
64 64 1 -0.000000 32.041000 -16.866832 -7.594398 -3.356600 -0.062312 -6.693920 1.793600
|
|
65 65 1 -0.000000 32.041000 -15.123495 -9.644168 -7.007759 0.712180 1.978890 0.962660
|
|
66 66 1 0.000000 32.041000 -17.591043 -12.040311 -6.554672 -0.165340 -2.343900 -0.706330
|
|
67 67 1 -0.000000 32.041000 -14.043475 -15.336418 -4.693343 -4.150490 7.364549 5.568390
|
|
68 68 1 -0.000000 32.041000 -15.431007 -18.164199 -3.538483 -0.331530 -0.056180 -1.638646
|
|
69 69 1 0.000000 32.041000 -12.188308 -11.111793 -3.619531 -3.298250 -0.438629 5.085370
|
|
70 70 1 -0.000000 32.041000 -14.861344 -19.895998 -7.114974 -4.179939 -4.701261 -0.231938
|
|
71 71 1 -0.000000 32.041000 -20.109288 -9.328687 -1.507906 -1.013647 -0.147530 0.961940
|
|
72 72 1 0.000000 32.041000 -19.941641 -19.403778 -8.477173 6.533750 2.995140 -10.840860
|
|
73 73 1 -0.000000 32.041000 -20.326722 -12.862730 -1.984159 0.960255 -1.758410 -2.859490
|
|
74 74 1 -0.000000 32.041000 -10.080885 -7.743216 -8.412953 1.805969 -2.685020 -1.296298
|
|
75 75 1 -0.000000 32.041000 -15.861251 -6.801612 -8.373938 -1.331010 -4.679309 0.505390
|
|
76 76 1 -0.000000 32.041000 -20.190648 -16.681519 -4.025460 -3.448986 -1.275070 0.621462
|
|
77 77 1 -0.000000 32.041000 -19.238203 -8.324790 -8.303326 3.713390 7.065030 0.482940
|
|
78 78 1 -0.000000 32.041000 -11.577658 -16.654764 -6.371506 -6.535519 -2.397010 -10.943419
|
|
79 79 1 -0.000000 32.041000 -8.988537 -5.967544 -5.866702 -13.537985 4.058690 -5.697390
|
|
80 80 1 -0.000000 32.041000 -12.761560 -15.563236 -0.186907 -2.058710 5.345530 -0.586590
|
|
81 81 1 -0.000000 32.041000 -10.646870 -20.280261 -8.823651 -2.121770 0.130550 -3.216060
|
|
82 82 1 -0.000000 32.041000 -13.549592 -6.886298 -2.537328 1.619120 -0.570726 -2.993200
|
|
83 83 1 -0.000000 32.041000 20.237883 20.192365 -3.577563 -4.958100 -3.420500 -1.061517
|
|
84 84 1 -0.000000 32.041000 -2.312461 -7.795246 -9.571724 -1.932650 -2.730309 -0.540332
|
|
85 85 1 -0.000000 32.041000 -10.994920 -12.018321 -7.159198 -4.255978 -2.036810 -4.840130
|
|
86 86 1 -0.000000 32.041000 -1.876549 -17.915251 -6.761335 2.548490 -4.674904 2.090550
|
|
87 87 1 -0.000000 32.041000 -16.328344 -9.115637 0.207109 -4.459430 7.303390 1.388838
|
|
88 88 1 -0.000000 32.041000 20.381904 -13.554377 -7.810941 1.488284 -4.694195 5.422053
|
|
89 89 1 -0.000000 32.041000 -15.694935 -17.936845 1.150713 2.333350 -5.851670 6.038840
|
|
90 90 1 -0.000000 32.041000 -8.119727 -12.323919 -0.139918 2.952730 -6.644840 -5.705070
|
|
91 91 1 -0.000000 32.041000 -6.432550 -6.500629 -8.794735 -3.794965 -3.073570 -7.465356
|
|
92 92 1 -0.000000 32.041000 -6.664241 -15.223764 0.546557 4.134990 4.082700 3.801398
|
|
93 93 1 -0.000000 32.041000 -0.794441 -14.635966 -1.673472 0.936410 -3.502820 0.322690
|
|
94 94 1 -0.000000 32.041000 -5.773351 -19.096497 0.304287 3.447167 10.440960 -7.114800
|
|
95 95 1 0.000000 32.041000 -6.307828 -19.056164 -5.860331 0.374123 2.034928 4.747320
|
|
96 96 1 -0.000000 32.041000 0.496986 -17.436565 -4.191173 -4.019430 -6.177180 -2.766520
|
|
97 97 1 -0.000000 32.041000 0.685357 -11.585935 -6.563812 -2.564944 5.539150 -0.730350
|
|
98 98 1 -0.000000 32.041000 -7.825214 -15.080009 -6.885126 3.029007 1.114530 1.398734
|
|
99 99 1 -0.000000 32.041000 -0.134855 -20.477544 -0.748006 -2.551350 4.873420 0.419590
|
|
100 100 1 -0.000000 32.041000 -8.063662 -10.787225 -8.153037 -0.473576 0.169866 1.297850
|
|
101 101 1 0.000000 32.041000 -4.780612 -14.348062 -3.721769 -0.247960 2.078340 -0.250518
|
|
102 102 1 -0.000000 32.041000 -13.036942 -9.845334 1.051546 6.865550 -7.064190 -3.502042
|
|
103 103 1 -0.000000 32.041000 -4.339036 -18.479648 -2.996624 -0.955730 -2.376240 3.960600
|
|
104 104 1 -0.000000 32.041000 -2.504558 -14.762583 -6.378085 -2.333640 6.181645 1.384970
|
|
105 105 1 -0.000000 32.041000 -8.458395 -17.405983 -3.888656 7.601370 -0.784807 1.112383
|
|
106 106 1 -0.000000 32.041000 -4.429245 -11.059012 -2.643783 0.122900 -2.169326 -0.725736
|
|
107 107 1 -0.000000 32.041000 -7.069030 -7.732933 -3.632291 3.830650 -4.516585 6.441620
|
|
108 108 1 -0.000000 32.041000 -16.426384 -17.700292 4.705716 -0.134600 -2.197427 -3.846738
|
|
109 109 1 -0.000000 32.041000 -13.853729 -19.317462 7.250693 -0.609710 3.642240 -0.818430
|
|
110 110 1 -0.000000 32.041000 -18.851934 -19.342937 7.817238 10.879773 4.472280 -5.421174
|
|
111 111 1 -0.000000 32.041000 -13.003793 -14.562011 4.458577 9.635479 10.603428 1.609870
|
|
112 112 1 -0.000000 32.041000 -12.416835 -8.148022 4.683193 -5.948070 -3.193550 6.523460
|
|
113 113 1 0.000000 32.041000 19.715434 -8.024543 7.374799 5.904001 -1.011850 3.091550
|
|
114 114 1 -0.000000 32.041000 -19.312587 -12.957134 1.260272 -2.174930 -0.185450 -4.563110
|
|
115 115 1 -0.000000 32.041000 -11.892505 -11.741845 6.195874 -2.895120 -2.127030 1.576220
|
|
116 116 1 -0.000000 32.041000 -14.195054 -16.056649 7.246563 -1.944808 -7.362170 4.324520
|
|
117 117 1 -0.000000 32.041000 20.385317 -15.168790 7.397187 10.575230 -0.885480 1.018630
|
|
118 118 1 -0.000000 32.041000 -15.898524 -11.762850 8.291958 -5.334990 -4.374243 -23.598623
|
|
119 119 1 -0.000000 32.041000 -15.244731 -10.060398 5.291827 5.587370 -1.020227 1.112960
|
|
120 120 1 0.000000 32.041000 -10.633463 -17.629954 1.106126 1.855726 -4.950670 3.056810
|
|
121 121 1 -0.000000 32.041000 -19.726518 -8.593513 2.855836 1.283940 3.645290 1.805660
|
|
122 122 1 -0.000000 32.041000 -5.070805 19.793253 4.065134 -6.759900 -8.925707 -10.307155
|
|
123 123 1 -0.000000 32.041000 -20.067585 -11.210145 5.580469 1.764890 -2.966107 1.465262
|
|
124 124 1 -0.000000 32.041000 -18.930096 -12.509993 8.901907 -2.391060 -1.220738 -1.573540
|
|
125 125 1 -0.000000 32.041000 -11.846510 -18.891674 3.899247 -8.356210 7.655823 -19.362110
|
|
126 126 1 -0.000000 32.041000 -1.221243 -18.075798 1.471739 1.117630 -2.254840 1.835149
|
|
127 127 1 -0.000000 32.041000 -16.560056 -14.576924 1.404531 -7.776330 7.410530 -6.016590
|
|
128 128 1 0.000000 32.041000 -17.448484 -7.520310 8.042240 2.638250 -6.256800 -6.789087
|
|
129 129 1 -0.000000 32.041000 -4.986670 19.975713 7.340394 9.560550 -4.795970 5.861660
|
|
130 130 1 -0.000000 32.041000 -12.279986 -6.780200 8.725226 0.793070 3.756180 7.347700
|
|
131 131 1 -0.000000 32.041000 -11.427562 -11.209144 10.796076 0.758890 -1.898660 2.795800
|
|
132 132 1 -0.000000 32.041000 -5.353474 -10.666571 0.688705 1.568160 0.887780 1.521220
|
|
133 133 1 -0.000000 32.041000 -9.095804 -6.539630 1.423893 -1.018040 0.140000 1.358760
|
|
134 134 1 -0.000000 32.041000 -14.364666 -6.536073 1.001812 -4.891670 0.386800 6.767130
|
|
135 135 1 -0.000000 32.041000 -17.848939 -6.567393 4.739638 -4.880000 -2.401125 -2.951362
|
|
136 136 1 -0.000000 32.041000 -5.237612 -8.291649 4.452262 1.999030 0.669900 -2.965420
|
|
137 137 1 -0.000000 32.041000 -12.082868 -14.322750 9.838129 -2.310730 -0.765010 0.945110
|
|
138 138 1 -0.000000 32.041000 -1.808987 -11.263802 10.172475 0.465050 -9.435650 2.539194
|
|
139 139 1 -0.000000 32.041000 -1.764623 -8.197769 4.918706 -1.221330 -1.079874 -0.068770
|
|
140 140 1 0.000000 32.041000 20.343798 -16.037766 1.388445 7.463000 -1.852000 1.032484
|
|
141 141 1 -0.000000 32.041000 -1.412060 -13.492479 1.559921 -8.587400 -0.878210 -0.563170
|
|
142 142 1 -0.000000 32.041000 -4.446887 -16.234142 3.538669 -2.972030 0.745390 -7.974291
|
|
143 143 1 -0.000000 32.041000 -0.295217 -13.873164 5.700794 -5.339830 -1.110270 2.145200
|
|
144 144 1 -0.000000 32.041000 0.406658 -10.851565 1.664892 6.171238 -0.286109 -0.468790
|
|
145 145 1 -0.000000 32.041000 -9.363830 -18.386298 6.070750 5.965670 -3.694180 19.722140
|
|
146 146 1 -0.000000 32.041000 -8.807534 -15.095152 8.271764 4.818934 1.477069 3.160400
|
|
147 147 1 -0.000000 32.041000 -9.527728 -14.820464 3.884789 -1.788990 1.780219 -0.721531
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961 961 1 -0.000000 32.041000 11.637082 13.062721 9.190319 -4.430650 -4.075761 0.528438
|
|
962 962 1 0.000000 32.041000 13.389939 19.210740 11.012163 -1.523010 -0.380980 0.329110
|
|
963 963 1 -0.000000 32.041000 7.386991 11.402037 9.832025 0.347408 1.574810 4.621299
|
|
964 964 1 -0.000000 32.041000 10.584620 17.385375 10.755230 1.497570 2.507060 6.090754
|
|
965 965 1 -0.000000 32.041000 12.883463 15.686521 6.508294 -1.894060 -1.129040 7.315727
|
|
966 966 1 -0.000000 32.041000 12.749041 9.823683 6.718774 -1.088790 -3.917240 1.020980
|
|
967 967 1 -0.000000 32.041000 11.534053 18.112020 2.520347 -0.087890 5.034620 0.856005
|
|
968 968 1 -0.000000 32.041000 19.506902 11.342102 8.878325 0.637710 5.813340 1.301190
|
|
969 969 1 -0.000000 32.041000 16.598929 13.928117 8.593502 -0.431610 0.797139 1.657620
|
|
970 970 1 -0.000000 32.041000 17.284273 18.879449 7.365302 -3.246702 -1.504570 -2.157000
|
|
971 971 1 -0.000000 32.041000 17.421075 15.664036 5.847385 4.478081 4.984471 -1.944930
|
|
972 972 1 -0.000000 32.041000 14.037841 16.139520 3.518316 1.038140 -0.533780 -11.023677
|
|
973 973 1 -0.000000 32.041000 10.447950 11.997004 5.817821 1.229789 7.609850 4.621176
|
|
974 974 1 -0.000000 32.041000 16.075787 10.560121 11.067919 -5.176762 -2.966120 -3.015670
|
|
975 975 1 -0.000000 32.041000 2.349935 10.652121 16.731092 6.078720 -2.001010 6.131660
|
|
976 976 1 -0.000000 32.041000 3.212483 17.280622 11.827733 8.110840 -15.541931 -6.011590
|
|
977 977 1 -0.000000 32.041000 7.917839 16.639201 16.154789 2.155930 -17.165210 9.523696
|
|
978 978 1 -0.000000 32.041000 1.745741 19.189467 14.135545 -15.645695 8.391630 10.020546
|
|
979 979 1 -0.000000 32.041000 7.439140 8.816837 11.650090 -9.393450 0.021500 2.498830
|
|
980 980 1 -0.000000 32.041000 4.388330 12.236342 11.819185 4.034220 -10.883390 6.727720
|
|
981 981 1 -0.000000 32.041000 4.657525 15.587383 14.412696 0.825960 1.758090 -0.112310
|
|
982 982 1 -0.000000 32.041000 6.434626 8.255952 14.943586 -6.030610 2.544660 -4.582770
|
|
983 983 1 -0.000000 32.041000 7.202491 18.550932 13.672023 -5.780630 24.884102 -11.347461
|
|
984 984 1 -0.000000 32.041000 3.895161 17.406990 18.064516 -3.403680 -4.345790 -0.936620
|
|
985 985 1 -0.000000 32.041000 7.446588 9.415244 18.654117 -0.661430 5.283940 -3.069160
|
|
986 986 1 -0.000000 32.041000 6.181771 14.268553 19.322831 0.803090 1.838137 0.397740
|
|
987 987 1 -0.000000 32.041000 9.411665 15.201472 13.031836 -3.557970 0.994400 -4.813680
|
|
988 988 1 -0.000000 32.041000 10.219340 10.442344 16.904003 -4.864796 11.845480 17.496220
|
|
989 989 1 -0.000000 32.041000 10.233538 8.558621 14.310171 2.382260 -6.113195 -18.227480
|
|
990 990 1 -0.000000 32.041000 18.388576 18.196678 20.002284 -4.731533 3.573960 -3.040040
|
|
991 991 1 -0.000000 32.041000 18.080866 11.355525 13.680685 5.969103 1.245260 4.404860
|
|
992 992 1 -0.000000 32.041000 17.437332 16.816325 11.166948 -6.052534 5.095890 0.145620
|
|
993 993 1 -0.000000 32.041000 12.428447 15.238522 17.690324 -5.945760 5.328660 2.262320
|
|
994 994 1 -0.000000 32.041000 17.275375 10.833429 18.550644 -2.973770 1.384620 -0.910889
|
|
995 995 1 0.000000 32.041000 14.022412 9.670898 17.723498 1.530820 -2.145504 4.191858
|
|
996 996 1 0.000000 32.041000 15.871348 17.183531 16.123815 2.782990 1.304360 -6.962789
|
|
997 997 1 -0.000000 32.041000 16.974034 15.618078 18.748176 6.973079 0.970965 0.242120
|
|
998 998 1 -0.000000 32.041000 12.909987 13.998697 14.706173 2.363158 3.442416 0.416110
|
|
999 999 1 -0.000000 32.041000 13.741615 10.859295 14.678854 3.958647 -5.470235 -0.142270
|
|
1000 1000 1 -0.000000 32.041000 12.755846 18.371433 16.997304 3.468950 -9.600790 -3.609980
|
|
ITEM: TIMESTEP
|
|
1750
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -17.101736 -10.937505 -17.463597 -2.179700 -2.718740 7.324190
|
|
2 2 1 -0.000000 32.041000 -14.462892 -10.822751 -15.603881 5.707230 6.038950 4.152770
|
|
3 3 1 0.000000 32.041000 -1.853567 -20.221703 -13.994007 -3.127782 -0.875320 5.801180
|
|
4 4 1 -0.000000 32.041000 -14.424065 -18.653568 -19.298396 -3.678410 -10.506072 -5.411320
|
|
5 5 1 -0.000000 32.041000 -11.136396 -8.794119 -18.622162 -8.316500 2.423040 7.392240
|
|
6 6 1 -0.000000 32.041000 -17.252091 -13.365452 -13.572300 -0.189501 -2.230351 -0.348909
|
|
7 7 1 -0.000000 32.041000 -20.075235 -11.649356 -14.327533 2.515880 1.412150 -2.892660
|
|
8 8 1 -0.000000 32.041000 -14.593904 -15.778299 -17.614495 1.679752 9.957030 5.575613
|
|
9 9 1 -0.000000 32.041000 -14.844758 -18.611132 -13.860192 -3.767340 2.446340 -0.382880
|
|
10 10 1 0.000000 32.041000 19.599842 -14.485392 -12.775493 -3.832380 -0.582715 0.824620
|
|
11 11 1 -0.000000 32.041000 -12.574220 -13.713336 -13.547116 -2.059134 8.411590 9.638034
|
|
12 12 1 -0.000000 32.041000 -11.415778 -9.287417 -14.692860 -8.512497 0.909106 -1.333868
|
|
13 13 1 -0.000000 32.041000 -17.828493 -17.771276 -13.020327 -5.786260 -5.220675 -2.758970
|
|
14 14 1 -0.000000 32.041000 -15.157905 -6.190283 -18.213010 -4.024990 -3.117278 7.600400
|
|
15 15 1 -0.000000 32.041000 -17.719670 -19.245988 -17.483788 3.181080 -0.215560 -0.130800
|
|
16 16 1 -0.000000 32.041000 -20.500259 -7.331189 -16.191917 4.688592 0.592330 0.419840
|
|
17 17 1 -0.000000 32.041000 0.505742 -13.208314 -14.905452 -13.557100 3.320404 16.177810
|
|
18 18 1 0.000000 32.041000 -8.338714 -20.410035 -18.625747 -1.350860 -4.149700 8.097060
|
|
19 19 1 -0.000000 32.041000 19.988160 -11.023835 -10.280849 2.633490 6.031390 -5.846580
|
|
20 20 1 -0.000000 32.041000 -18.400061 -15.431515 -19.403130 -1.855500 -1.388520 -3.911340
|
|
21 21 1 -0.000000 32.041000 -14.415632 -17.151081 -10.904629 7.361840 3.098050 5.276860
|
|
22 22 1 -0.000000 32.041000 -12.137805 20.467014 -11.124307 0.475136 -2.784300 2.963790
|
|
23 23 1 -0.000000 32.041000 -6.660935 -19.996396 -10.001288 -4.800620 0.277268 -7.307790
|
|
24 24 1 -0.000000 32.041000 -17.138201 -11.190209 -10.800983 6.214800 4.767400 -7.065300
|
|
25 25 1 -0.000000 32.041000 -9.828541 -12.208349 -16.355573 -2.036692 -3.819779 1.985840
|
|
26 26 1 -0.000000 32.041000 -18.839071 -6.711525 -11.677811 -2.028540 3.069720 -2.815393
|
|
27 27 1 -0.000000 32.041000 -12.460351 -11.053030 -10.799221 6.344670 -2.581500 0.550543
|
|
28 28 1 -0.000000 32.041000 -10.656452 -19.615865 -14.387554 3.157100 -7.856650 5.111620
|
|
29 29 1 -0.000000 32.041000 -11.798059 -15.982666 -15.918082 5.603260 -2.453371 -9.745394
|
|
30 30 1 -0.000000 32.041000 -13.148202 -6.995824 -11.644051 1.839130 5.995045 -4.964380
|
|
31 31 1 0.000000 32.041000 -10.994185 -17.037258 -10.562924 -2.594260 1.292666 0.767860
|
|
32 32 1 0.000000 32.041000 -1.715551 -10.297371 -19.009800 2.106890 -0.924850 0.651780
|
|
33 33 1 -0.000000 32.041000 -7.581402 19.739717 -13.159987 -0.084220 3.068600 4.605360
|
|
34 34 1 -0.000000 32.041000 -0.055297 -15.854933 -11.133132 0.347490 -2.090520 4.705420
|
|
35 35 1 -0.000000 32.041000 20.580033 -14.868111 -15.906774 1.168740 5.278261 6.564659
|
|
36 36 1 0.000000 32.041000 -11.143822 -5.834958 -15.093744 3.845083 3.001720 -1.269649
|
|
37 37 1 -0.000000 32.041000 -0.355948 -18.332819 -18.666795 4.504480 2.854375 -1.784270
|
|
38 38 1 -0.000000 32.041000 -18.551378 -14.342797 -9.680770 -5.232450 -2.681860 9.161940
|
|
39 39 1 0.000000 32.041000 -1.952498 -16.576977 -16.080671 -1.158540 -0.378456 -0.391420
|
|
40 40 1 -0.000000 32.041000 -6.504352 -17.459250 -20.504685 0.881710 13.268190 -8.280990
|
|
41 41 1 -0.000000 32.041000 -8.238094 -13.603397 20.614560 0.491040 -0.098220 1.865310
|
|
42 42 1 -0.000000 32.041000 -6.222103 -15.691625 -11.494186 -2.426520 1.055010 -0.950180
|
|
43 43 1 0.000000 32.041000 -3.718302 -12.817233 -13.713465 2.100360 1.757260 2.808320
|
|
44 44 1 -0.000000 32.041000 -2.910041 -7.020321 -15.525962 3.947710 3.629310 -3.769330
|
|
45 45 1 -0.000000 32.041000 -3.431279 -11.907404 -10.216683 -3.241033 -7.862700 -4.022790
|
|
46 46 1 0.000000 32.041000 -8.107311 -6.578858 -14.078434 5.068620 1.150933 4.855460
|
|
47 47 1 -0.000000 32.041000 -0.749065 -9.306052 -14.139257 -5.536721 -2.634759 -2.208090
|
|
48 48 1 -0.000000 32.041000 -6.576315 -9.303134 -10.982673 0.434740 1.919030 4.609710
|
|
49 49 1 -0.000000 32.041000 -5.499971 -13.209935 -18.638651 -2.554840 5.373890 0.960280
|
|
50 50 1 -0.000000 32.041000 -4.608598 -8.261272 -19.134658 -0.782800 -4.982650 0.272150
|
|
51 51 1 -0.000000 32.041000 -5.111136 -18.089551 -16.307214 -0.325760 -2.405120 4.159400
|
|
52 52 1 -0.000000 32.041000 -3.242147 -16.114312 -20.162583 -10.414809 -3.909478 2.763744
|
|
53 53 1 -0.000000 32.041000 -6.938992 -15.160079 -16.219082 1.989570 -2.312370 -1.177440
|
|
54 54 1 -0.000000 32.041000 -8.911025 -13.665009 -10.859902 1.493710 -1.549588 -2.244390
|
|
55 55 1 -0.000000 32.041000 -7.278548 -10.328037 -15.325757 1.232220 -8.436422 -4.109988
|
|
56 56 1 -0.000000 32.041000 -10.663950 -17.928617 19.568637 -1.370240 1.856800 -4.272390
|
|
57 57 1 0.000000 32.041000 -2.121876 -6.090866 -18.837114 -2.391960 1.979810 2.933190
|
|
58 58 1 -0.000000 32.041000 20.475628 -10.855852 -20.561706 2.142447 3.792370 -5.557900
|
|
59 59 1 -0.000000 32.041000 -0.261674 -10.608220 -10.033047 0.729830 6.828704 1.965550
|
|
60 60 1 -0.000000 32.041000 -15.918786 -11.549818 -20.406562 1.435997 4.003550 -10.065050
|
|
61 61 1 -0.000000 32.041000 0.448990 -14.243397 -19.536784 4.610600 -4.363739 -3.037060
|
|
62 62 1 0.000000 32.041000 -16.625160 -15.837461 -6.872859 0.441600 -0.575720 -0.985700
|
|
63 63 1 -0.000000 32.041000 -13.592265 -13.517021 -8.870338 0.665770 0.292292 -5.094118
|
|
64 64 1 -0.000000 32.041000 -17.797697 -17.360425 -2.572944 2.647560 -3.196130 -4.057160
|
|
65 65 1 -0.000000 32.041000 -15.342937 -11.247180 -2.684006 -0.660280 2.199370 3.134147
|
|
66 66 1 -0.000000 32.041000 -17.051402 -7.700869 -3.390339 4.791730 -6.984864 1.158410
|
|
67 67 1 -0.000000 32.041000 -14.739059 -9.911016 -6.341978 -3.273250 -5.857825 3.275510
|
|
68 68 1 0.000000 32.041000 -18.026097 -11.667495 -5.862848 3.679312 4.562850 -0.958212
|
|
69 69 1 -0.000000 32.041000 -13.890688 -15.601040 -4.571155 3.976400 -6.799060 -7.121890
|
|
70 70 1 -0.000000 32.041000 -15.129585 -18.884090 -4.357802 -0.080830 4.204080 4.910300
|
|
71 71 1 0.000000 32.041000 -12.016028 -11.686897 -3.502633 -2.622923 3.118250 3.293590
|
|
72 72 1 -0.000000 32.041000 -15.106501 -20.056193 -7.572758 20.595821 8.532760 -22.714020
|
|
73 73 1 -0.000000 32.041000 -20.490576 -9.312167 -2.107193 6.498510 12.888456 -4.214651
|
|
74 74 1 0.000000 32.041000 -19.604057 -18.628031 -9.225215 4.341772 0.818560 -1.716140
|
|
75 75 1 -0.000000 32.041000 -20.275931 -12.514903 -1.838684 -5.990670 -8.024740 -8.058016
|
|
76 76 1 -0.000000 32.041000 -9.942940 -7.753257 -8.336570 2.544480 0.358588 2.116930
|
|
77 77 1 -0.000000 32.041000 -16.041343 -7.652174 -8.606555 -2.207205 6.173490 -7.341567
|
|
78 78 1 -0.000000 32.041000 -20.251144 -16.064905 -4.643426 -8.189070 3.553540 4.795500
|
|
79 79 1 -0.000000 32.041000 -19.554875 -7.564653 -8.192298 5.123556 0.313929 2.636141
|
|
80 80 1 -0.000000 32.041000 -11.490273 -16.696046 -6.831921 -4.658791 5.390748 0.492800
|
|
81 81 1 -0.000000 32.041000 -9.540291 -6.367224 -5.039267 0.465040 -1.731230 -1.400920
|
|
82 82 1 -0.000000 32.041000 -12.504084 -14.740348 -0.525114 1.138180 -2.918476 2.484360
|
|
83 83 1 -0.000000 32.041000 -10.857603 -20.011453 -8.391089 1.277380 -6.244302 -2.749651
|
|
84 84 1 -0.000000 32.041000 -13.367627 -7.255035 -2.083252 -4.372600 -0.627140 -4.512299
|
|
85 85 1 -0.000000 32.041000 -17.359949 20.203734 -5.743477 -19.703069 -14.312928 18.987770
|
|
86 86 1 -0.000000 32.041000 -2.649377 -8.032350 -9.936197 -4.883170 -2.036240 2.924729
|
|
87 87 1 -0.000000 32.041000 -10.464991 -12.893424 -7.437127 -6.802110 -2.475601 -2.149132
|
|
88 88 1 -0.000000 32.041000 20.182665 -20.415903 -3.158927 4.044090 -3.637590 2.964671
|
|
89 89 1 -0.000000 32.041000 -1.342804 -18.425710 -6.892713 1.572860 -8.424500 0.119850
|
|
90 90 1 -0.000000 32.041000 -16.668237 -9.053304 0.296068 -3.376600 -1.968950 -4.078870
|
|
91 91 1 -0.000000 32.041000 20.094546 -13.636230 -8.125797 1.410800 -7.509290 3.104210
|
|
92 92 1 -0.000000 32.041000 -8.374829 -12.066702 -1.559300 5.039460 -3.300670 -0.941323
|
|
93 93 1 -0.000000 32.041000 -6.850768 -14.512539 0.304180 -1.947300 2.571792 4.001450
|
|
94 94 1 -0.000000 32.041000 -0.953182 -14.467694 -2.135942 -2.311444 -9.870730 10.623260
|
|
95 95 1 -0.000000 32.041000 -5.092408 -18.805244 -0.171848 3.143930 14.247950 -11.467170
|
|
96 96 1 0.000000 32.041000 -5.663367 -19.487152 -5.776084 -5.895059 4.456340 4.501680
|
|
97 97 1 -0.000000 32.041000 0.741843 -17.784140 -3.985821 1.978090 -1.218830 -0.649917
|
|
98 98 1 -0.000000 32.041000 -7.436895 -14.882418 -7.046613 2.230810 -1.675760 7.019100
|
|
99 99 1 -0.000000 32.041000 -8.035787 -10.836907 -8.018297 4.219071 3.886111 1.035060
|
|
100 100 1 0.000000 32.041000 -4.559677 -14.328559 -4.030044 -0.887250 7.186660 -2.681210
|
|
101 101 1 -0.000000 32.041000 -12.816408 -9.445260 1.031517 1.160920 -8.889042 4.521490
|
|
102 102 1 -0.000000 32.041000 -3.892118 -18.095498 -3.152450 -1.155130 -3.919841 12.668200
|
|
103 103 1 -0.000000 32.041000 -3.116573 -15.977575 -6.295254 -4.183050 12.064990 -6.370909
|
|
104 104 1 -0.000000 32.041000 -1.696065 -7.155874 -0.082314 2.407820 0.502160 -0.179550
|
|
105 105 1 -0.000000 32.041000 -7.825108 -16.742770 -3.917406 -5.047096 -3.384770 -1.829440
|
|
106 106 1 -0.000000 32.041000 -4.191330 -11.078852 -2.750984 -1.994570 -1.978980 2.723730
|
|
107 107 1 -0.000000 32.041000 -7.610184 -7.648599 -2.698113 1.575980 -0.756520 -2.299230
|
|
108 108 1 -0.000000 32.041000 -6.466962 -6.485354 -8.407672 -2.270560 -2.685150 -8.478990
|
|
109 109 1 -0.000000 32.041000 -10.442174 -18.319321 0.377573 -2.921067 2.599950 -4.116550
|
|
110 110 1 -0.000000 32.041000 -2.176416 -13.428263 0.816745 -2.276480 -0.716291 -3.585420
|
|
111 111 1 0.000000 32.041000 -16.692756 -14.565738 0.671528 -0.084680 7.711290 -5.894960
|
|
112 112 1 -0.000000 32.041000 0.380364 -6.548755 -7.224627 -8.942088 2.836304 -4.040263
|
|
113 113 1 -0.000000 32.041000 -15.646332 -17.492124 1.118863 6.828082 -3.196763 6.543500
|
|
114 114 1 -0.000000 32.041000 -16.140505 -18.019247 4.414861 -5.865010 -1.830320 -6.057573
|
|
115 115 1 -0.000000 32.041000 -14.168117 -19.058453 6.818882 5.646230 3.717480 2.307577
|
|
116 116 1 -0.000000 32.041000 -18.624741 -19.161794 7.937256 2.934590 9.217980 -3.203100
|
|
117 117 1 -0.000000 32.041000 -12.621662 -14.280824 4.994674 0.253820 -4.629004 2.620048
|
|
118 118 1 -0.000000 32.041000 -9.214689 -6.534590 0.894911 -12.135840 -0.616080 -3.793000
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933 933 1 -0.000000 32.041000 1.941347 9.784571 -0.634221 -2.502360 6.442207 2.463200
|
|
934 934 1 -0.000000 32.041000 15.767769 14.453276 -2.408743 -1.408714 -1.171736 -3.387630
|
|
935 935 1 -0.000000 32.041000 11.228942 9.298615 0.152643 -0.721544 3.067584 0.628554
|
|
936 936 1 0.000000 32.041000 12.362555 15.383045 -1.298141 0.208300 2.008004 3.322700
|
|
937 937 1 -0.000000 32.041000 20.078443 13.635922 -4.099920 0.449476 0.546260 1.801791
|
|
938 938 1 -0.000000 32.041000 15.322601 18.233067 -6.333134 -1.342050 4.964840 -4.309870
|
|
939 939 1 -0.000000 32.041000 13.659142 15.419436 -6.269954 -0.457150 -2.448760 0.549370
|
|
940 940 1 -0.000000 32.041000 17.340265 9.578277 -3.114560 2.327660 -2.658960 -0.108180
|
|
941 941 1 0.000000 32.041000 15.419603 12.285776 -6.103541 0.774420 -2.778550 1.407790
|
|
942 942 1 -0.000000 32.041000 17.160869 13.107041 -8.624245 4.824412 -2.586900 2.680970
|
|
943 943 1 -0.000000 32.041000 18.104871 13.711539 1.254207 1.753590 2.913400 1.595950
|
|
944 944 1 -0.000000 32.041000 5.690855 15.848766 1.099881 3.504829 -14.748780 -18.380391
|
|
945 945 1 0.000000 32.041000 4.036085 14.676274 9.274999 -0.446667 -5.204973 6.608258
|
|
946 946 1 -0.000000 32.041000 2.128332 13.236333 7.102788 -1.824900 3.063975 -5.487103
|
|
947 947 1 -0.000000 32.041000 4.931355 13.314035 3.430129 2.280468 3.034610 0.132170
|
|
948 948 1 -0.000000 32.041000 7.381974 7.643474 7.296356 7.758330 -0.247512 0.981100
|
|
949 949 1 -0.000000 32.041000 4.443008 8.240254 8.319218 0.197170 2.050200 -0.656020
|
|
950 950 1 -0.000000 32.041000 5.513539 17.266536 3.852218 -3.758987 13.179280 19.764384
|
|
951 951 1 -0.000000 32.041000 2.191707 17.165336 5.592597 2.039532 1.483105 2.459240
|
|
952 952 1 -0.000000 32.041000 10.054412 12.814791 0.669952 -3.015393 -7.113520 -4.016020
|
|
953 953 1 0.000000 32.041000 1.733815 8.579527 6.639224 -8.529830 0.783250 0.584230
|
|
954 954 1 -0.000000 32.041000 9.973080 17.343216 10.818340 9.019190 2.556760 -3.079480
|
|
955 955 1 0.000000 32.041000 13.292779 13.053290 1.332317 0.992040 8.413580 -3.358350
|
|
956 956 1 -0.000000 32.041000 18.182488 9.298988 2.392993 -3.729070 8.915317 -16.326140
|
|
957 957 1 -0.000000 32.041000 6.653616 18.753588 8.420156 -10.848530 -5.008740 14.549110
|
|
958 958 1 -0.000000 32.041000 16.316897 11.688078 3.584808 0.308387 -0.160313 1.407985
|
|
959 959 1 -0.000000 32.041000 9.270184 17.975309 0.539835 0.770785 1.808420 -5.993871
|
|
960 960 1 0.000000 32.041000 13.053356 18.040283 10.879547 -1.420810 -0.129500 -3.946244
|
|
961 961 1 -0.000000 32.041000 7.406434 11.505293 10.122097 1.175475 -5.285620 2.341760
|
|
962 962 1 0.000000 32.041000 19.056402 14.164671 8.763818 6.599888 -3.338840 -2.067170
|
|
963 963 1 -0.000000 32.041000 13.268978 15.476382 6.423563 -4.926420 -2.164421 -2.206838
|
|
964 964 1 -0.000000 32.041000 12.392218 9.189395 6.911408 -2.317940 8.563190 -1.092890
|
|
965 965 1 -0.000000 32.041000 11.665777 18.556049 2.999316 3.326540 -5.739950 4.136640
|
|
966 966 1 -0.000000 32.041000 16.249841 13.150436 7.343678 0.539430 0.553669 2.530352
|
|
967 967 1 -0.000000 32.041000 16.677196 18.725620 7.570577 3.136900 -7.380780 -3.439250
|
|
968 968 1 -0.000000 32.041000 17.364130 16.071264 5.338988 -1.615695 -0.049490 2.359000
|
|
969 969 1 -0.000000 32.041000 13.679551 15.739751 3.250411 -1.360630 3.718244 -0.070400
|
|
970 970 1 -0.000000 32.041000 10.705359 12.386020 6.468336 2.748659 -6.396777 2.097970
|
|
971 971 1 -0.000000 32.041000 11.454932 14.032207 9.656253 2.939738 1.495692 -6.196460
|
|
972 972 1 -0.000000 32.041000 16.815229 10.727199 10.752863 -0.119788 2.812410 0.754330
|
|
973 973 1 -0.000000 32.041000 6.977812 8.733596 11.694861 2.860780 5.435400 -12.191580
|
|
974 974 1 -0.000000 32.041000 3.352070 10.507141 17.480820 -5.410540 -1.030930 -1.359827
|
|
975 975 1 -0.000000 32.041000 3.499481 18.266250 12.682457 2.684940 -3.663360 -3.295500
|
|
976 976 1 -0.000000 32.041000 8.152854 16.574559 15.684885 -2.608340 -5.985560 3.603550
|
|
977 977 1 -0.000000 32.041000 1.209552 18.976221 14.885571 -0.299640 -1.679511 -4.931300
|
|
978 978 1 -0.000000 32.041000 4.336464 12.181288 12.267000 -0.005200 0.914430 -4.292468
|
|
979 979 1 -0.000000 32.041000 16.875506 7.877603 17.314648 1.521253 3.257403 -2.350189
|
|
980 980 1 -0.000000 32.041000 4.998048 15.614130 14.432012 -0.275840 7.633855 -1.571000
|
|
981 981 1 -0.000000 32.041000 9.477190 20.111712 18.168696 4.285748 4.206731 -3.493170
|
|
982 982 1 -0.000000 32.041000 5.925289 9.062790 14.694940 -0.511830 -7.534221 11.507700
|
|
983 983 1 -0.000000 32.041000 7.315946 19.326225 13.338554 4.625070 1.936740 4.819400
|
|
984 984 1 -0.000000 32.041000 3.879526 16.989655 18.100508 1.109880 1.032832 -3.670390
|
|
985 985 1 -0.000000 32.041000 6.885471 9.526985 18.501122 -0.403454 7.735300 -0.707330
|
|
986 986 1 -0.000000 32.041000 6.087118 14.346356 19.282184 1.427860 4.438708 -0.086790
|
|
987 987 1 -0.000000 32.041000 8.747911 14.990094 12.612937 -13.680100 1.873363 4.883280
|
|
988 988 1 -0.000000 32.041000 19.170247 14.705281 13.705650 5.278200 -2.596080 6.933620
|
|
989 989 1 -0.000000 32.041000 9.361063 10.303990 16.610126 6.364140 -2.662150 0.106920
|
|
990 990 1 -0.000000 32.041000 10.701465 7.873824 14.668625 -0.966730 8.089388 -4.210079
|
|
991 991 1 -0.000000 32.041000 18.639782 11.691147 13.470843 -3.148920 -4.856253 -0.668930
|
|
992 992 1 -0.000000 32.041000 12.028831 13.935591 17.934619 -5.346130 2.487230 -2.701719
|
|
993 993 1 -0.000000 32.041000 17.045852 10.867887 19.232509 1.611500 -6.785010 -3.091287
|
|
994 994 1 -0.000000 32.041000 17.207963 16.124956 10.886852 -7.533530 8.445580 -4.434480
|
|
995 995 1 0.000000 32.041000 13.810166 10.524333 17.415018 3.014093 -1.161590 1.794660
|
|
996 996 1 0.000000 32.041000 16.345516 17.353554 16.142842 4.887640 -1.213700 -2.155770
|
|
997 997 1 -0.000000 32.041000 18.815770 15.969226 18.362952 -4.066040 -1.850534 -4.102500
|
|
998 998 1 -0.000000 32.041000 11.494751 14.054403 14.367400 1.391449 0.697100 5.153990
|
|
999 999 1 -0.000000 32.041000 13.772935 11.586072 14.315199 5.468308 1.782190 2.977110
|
|
1000 1000 1 -0.000000 32.041000 12.922199 17.746078 16.231678 1.043786 -3.755860 4.160340
|
|
ITEM: TIMESTEP
|
|
2000
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -17.058718 -10.990713 -17.534614 -7.338140 2.830340 9.443444
|
|
2 2 1 -0.000000 32.041000 -14.264772 -9.779217 -15.094367 2.681110 -4.960275 5.205950
|
|
3 3 1 -0.000000 32.041000 -1.403147 -19.835200 -13.324498 0.715233 -4.813030 0.150053
|
|
4 4 1 -0.000000 32.041000 -14.638350 -18.531793 -19.276447 -3.791640 -1.175775 -3.111349
|
|
5 5 1 -0.000000 32.041000 -10.934468 -8.111744 -18.079896 -4.869050 -1.008784 5.607340
|
|
6 6 1 -0.000000 32.041000 -16.891845 -13.242133 -13.687445 -4.345960 -0.680890 -1.525812
|
|
7 7 1 -0.000000 32.041000 -20.066339 -11.596178 -14.115434 7.971130 12.522230 4.655860
|
|
8 8 1 -0.000000 32.041000 -15.563945 -15.048661 -17.875259 11.668450 -9.218790 10.512720
|
|
9 9 1 -0.000000 32.041000 -15.165157 -18.826954 -13.977016 -3.591620 -1.923680 -10.429990
|
|
10 10 1 0.000000 32.041000 19.394589 -14.537554 -12.306993 -5.573936 -0.837560 2.530696
|
|
11 11 1 -0.000000 32.041000 -11.966896 -13.333120 -13.132246 -3.266270 -1.321880 -4.308550
|
|
12 12 1 -0.000000 32.041000 -11.008632 -8.880488 -14.484574 1.054100 -1.475520 -3.441320
|
|
13 13 1 -0.000000 32.041000 -18.386298 -17.465084 -13.649137 0.395574 0.565673 2.930660
|
|
14 14 1 -0.000000 32.041000 19.852211 -19.305712 -11.578227 -0.636170 -3.356237 -4.206885
|
|
15 15 1 -0.000000 32.041000 -17.551511 -18.444877 -17.563503 -0.838980 -3.799740 -1.649500
|
|
16 16 1 -0.000000 32.041000 -19.368306 -7.372439 -15.943650 -2.407730 -0.728495 0.288120
|
|
17 17 1 -0.000000 32.041000 0.259876 -13.030307 -14.428851 -3.515841 -3.839600 14.466634
|
|
18 18 1 0.000000 32.041000 -8.276550 -20.523433 -18.369298 -7.308460 0.227441 0.815685
|
|
19 19 1 -0.000000 32.041000 -14.780245 -11.122234 -19.778248 5.856877 8.018120 -2.364808
|
|
20 20 1 -0.000000 32.041000 -15.309491 -7.210411 -17.534946 -1.248730 11.495850 -8.214233
|
|
21 21 1 -0.000000 32.041000 -19.005867 -14.956142 -20.038951 5.268760 -2.990630 -1.664480
|
|
22 22 1 -0.000000 32.041000 -14.429810 -17.149496 -11.441701 4.822750 1.070043 8.377808
|
|
23 23 1 -0.000000 32.041000 20.495635 -9.897452 -9.924228 0.686881 -3.597140 1.345646
|
|
24 24 1 0.000000 32.041000 -6.624305 -20.396148 -9.760093 -3.026620 16.625090 9.964670
|
|
25 25 1 -0.000000 32.041000 -16.351421 -11.615158 -10.902039 -4.963410 0.591620 -1.150120
|
|
26 26 1 -0.000000 32.041000 -10.291415 -12.373517 -15.939692 1.767940 2.659070 -1.203910
|
|
27 27 1 -0.000000 32.041000 -18.960729 -6.309632 -11.517588 0.470247 -2.539330 3.155650
|
|
28 28 1 -0.000000 32.041000 -12.155908 -10.707498 -10.537640 -3.687891 -4.715920 5.657230
|
|
29 29 1 -0.000000 32.041000 -10.912527 -19.941575 -14.738194 11.304740 -1.693636 -3.268422
|
|
30 30 1 -0.000000 32.041000 -12.212673 -16.458324 -16.902882 -0.213947 3.587970 2.659400
|
|
31 31 1 -0.000000 32.041000 -12.846191 -6.600987 -11.791352 -1.559070 3.649212 -0.386500
|
|
32 32 1 -0.000000 32.041000 20.426634 -14.269633 -15.396166 -5.059229 -13.901598 -3.610860
|
|
33 33 1 0.000000 32.041000 -1.995234 -10.616174 -19.202770 -1.175160 3.743550 1.398920
|
|
34 34 1 -0.000000 32.041000 -2.267303 -12.875511 20.061531 0.719830 -10.955190 2.453550
|
|
35 35 1 -0.000000 32.041000 -2.033814 -9.466674 -14.216761 1.016559 0.767802 -5.522170
|
|
36 36 1 -0.000000 32.041000 -2.341664 -7.864008 -10.481249 0.947544 0.378700 2.357710
|
|
37 37 1 -0.000000 32.041000 -0.583900 -18.069871 -18.489302 10.942500 -2.629344 2.964980
|
|
38 38 1 -0.000000 32.041000 -20.307050 -10.658866 -20.548898 3.500140 8.255320 -18.311500
|
|
39 39 1 -0.000000 32.041000 -7.748538 19.597791 -12.197110 -7.955290 -6.490430 -15.308500
|
|
40 40 1 0.000000 32.041000 -2.660668 -16.761490 -16.293960 -3.513623 4.884365 1.444700
|
|
41 41 1 -0.000000 32.041000 -6.800834 -17.315744 20.186111 4.029650 4.807610 -2.482230
|
|
42 42 1 0.000000 32.041000 -7.006684 -6.460229 -14.259185 1.522250 -2.445660 5.665030
|
|
43 43 1 -0.000000 32.041000 -6.271219 -16.500873 -10.958399 -1.356850 0.834420 0.125670
|
|
44 44 1 0.000000 32.041000 -3.597702 -12.962365 -12.427278 0.641630 1.687185 -0.967975
|
|
45 45 1 -0.000000 32.041000 -11.101229 -17.521074 -10.523755 -3.095110 0.899590 -0.643140
|
|
46 46 1 -0.000000 32.041000 -11.929458 20.476685 -11.821289 0.409919 -3.976640 5.780628
|
|
47 47 1 -0.000000 32.041000 -7.095157 -9.479645 -10.983897 1.677160 -0.095420 5.900061
|
|
48 48 1 -0.000000 32.041000 -2.168617 -6.735508 -16.199943 -3.259520 0.320246 2.721710
|
|
49 49 1 -0.000000 32.041000 -5.752157 -13.001803 -18.333647 -2.177974 -7.476430 -1.674800
|
|
50 50 1 -0.000000 32.041000 -5.564942 -18.491799 -16.362987 -1.325070 1.159940 3.343517
|
|
51 51 1 -0.000000 32.041000 -5.244009 -8.279364 -18.911337 6.341840 -3.080200 -1.755629
|
|
52 52 1 -0.000000 32.041000 -3.911261 -16.244187 -20.270780 -1.993210 -0.628590 -2.345518
|
|
53 53 1 -0.000000 32.041000 -6.928731 -15.484816 -16.318629 1.198660 3.793760 -1.582772
|
|
54 54 1 -0.000000 32.041000 -8.812429 -13.847962 -11.376215 1.960369 4.302432 3.971990
|
|
55 55 1 -0.000000 32.041000 -7.158629 -11.604181 -14.759229 -0.436290 2.227240 -1.595380
|
|
56 56 1 -0.000000 32.041000 -0.000984 -16.863845 -10.611165 -2.876560 1.266159 -1.982200
|
|
57 57 1 -0.000000 32.041000 0.582324 -13.537251 -19.051037 -1.525130 -12.589110 -17.464459
|
|
58 58 1 -0.000000 32.041000 -2.112711 -6.218032 -19.330941 -2.493930 4.239890 1.509300
|
|
59 59 1 0.000000 32.041000 -19.198918 19.846697 -12.871378 -3.277430 0.929880 -2.088470
|
|
60 60 1 -0.000000 32.041000 -0.986566 -10.849621 -9.633674 18.017270 6.694304 5.868571
|
|
61 61 1 -0.000000 32.041000 -7.858126 -13.687773 20.349500 0.465870 1.978030 -0.713880
|
|
62 62 1 -0.000000 32.041000 -18.185651 -5.871895 -20.130723 1.675750 -3.396230 4.223690
|
|
63 63 1 0.000000 32.041000 -16.642468 -15.800732 -6.511609 1.492860 -0.933009 -1.195930
|
|
64 64 1 -0.000000 32.041000 -13.420774 -13.714803 -9.172409 5.518680 -0.031617 -2.338520
|
|
65 65 1 -0.000000 32.041000 -17.617615 -17.100230 -3.048673 -4.027450 3.907048 4.478485
|
|
66 66 1 -0.000000 32.041000 -15.467550 -11.540670 -2.715336 4.662580 -4.243620 4.313990
|
|
67 67 1 -0.000000 32.041000 -15.804695 -7.572032 -3.354153 0.771730 2.866819 -0.208970
|
|
68 68 1 -0.000000 32.041000 -15.517611 -10.312577 -6.969349 12.044170 -14.663600 7.358980
|
|
69 69 1 0.000000 32.041000 -18.469970 -11.545212 -6.212321 -8.562050 -1.748527 -7.614735
|
|
70 70 1 -0.000000 32.041000 -13.040869 -16.448127 -4.877536 -21.592691 -0.617320 -0.323529
|
|
71 71 1 -0.000000 32.041000 -14.876676 -19.127173 -3.969891 5.049301 4.563903 -6.425166
|
|
72 72 1 -0.000000 32.041000 -18.522813 -13.818795 -8.998864 -0.349600 -0.387270 -7.393310
|
|
73 73 1 0.000000 32.041000 -11.939099 -11.322513 -3.762275 -2.883409 0.647750 -2.066050
|
|
74 74 1 -0.000000 32.041000 -14.675926 -19.987427 -8.126988 1.575054 -0.596350 -0.621220
|
|
75 75 1 0.000000 32.041000 -19.108532 -18.169550 -9.588486 -0.936650 2.230680 8.535690
|
|
76 76 1 -0.000000 32.041000 -19.846225 -11.760421 -2.330534 -2.576970 -3.835310 9.064776
|
|
77 77 1 -0.000000 32.041000 -9.985820 -8.200099 -8.089171 2.004445 2.565380 2.980960
|
|
78 78 1 -0.000000 32.041000 -15.924111 -7.597289 -8.394754 -2.036127 26.139600 2.163439
|
|
79 79 1 -0.000000 32.041000 19.899595 -19.716146 -7.410842 2.450360 -5.357664 -3.283350
|
|
80 80 1 -0.000000 32.041000 -19.144613 -7.746430 -7.859153 -3.757070 2.828790 -2.767620
|
|
81 81 1 -0.000000 32.041000 -11.234141 -16.728629 -7.491762 2.815290 -2.727670 2.234630
|
|
82 82 1 -0.000000 32.041000 -9.871284 -6.873701 -4.985495 -1.078580 0.165020 -3.823308
|
|
83 83 1 -0.000000 32.041000 -20.070893 -8.416727 -3.065672 -1.474410 -2.202588 0.020320
|
|
84 84 1 -0.000000 32.041000 -11.514489 -15.645349 -0.793880 -4.558180 -1.434820 -1.567480
|
|
85 85 1 -0.000000 32.041000 -10.393416 20.661966 -8.620031 -1.306380 1.731650 -6.711877
|
|
86 86 1 0.000000 32.041000 -12.561415 -7.242299 -1.712754 -1.557630 -0.114230 -3.150650
|
|
87 87 1 0.000000 32.041000 20.584332 -20.240034 -3.036347 15.650070 -7.836726 2.955030
|
|
88 88 1 0.000000 32.041000 -17.394987 20.664338 -5.906026 1.145140 -3.052700 0.900430
|
|
89 89 1 0.000000 32.041000 0.043620 -18.469719 -4.116025 3.542180 1.940350 3.689410
|
|
90 90 1 0.000000 32.041000 20.282272 -16.688470 -4.460937 2.326220 6.238440 -2.579469
|
|
91 91 1 -0.000000 32.041000 -10.483552 -12.627904 -7.545059 -8.967872 -16.969850 -1.274560
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904 904 1 -0.000000 32.041000 18.713411 18.625036 -19.619504 3.546540 2.231680 -11.254070
|
|
905 905 1 -0.000000 32.041000 17.464319 7.563103 -10.112805 -2.877000 4.667317 0.336090
|
|
906 906 1 -0.000000 32.041000 18.280427 12.802024 -16.081591 -1.545600 -1.638820 3.954130
|
|
907 907 1 -0.000000 32.041000 15.935058 15.583250 -18.020368 -7.194957 -12.031410 9.125809
|
|
908 908 1 -0.000000 32.041000 16.381379 15.857516 -13.229468 -2.211530 -4.321400 0.609050
|
|
909 909 1 -0.000000 32.041000 14.619921 9.475335 -14.682913 -1.582454 5.396550 -5.817530
|
|
910 910 1 -0.000000 32.041000 13.641824 18.605906 -13.939275 -11.225200 3.368345 11.873097
|
|
911 911 1 -0.000000 32.041000 2.269845 13.469041 -9.434934 -1.732797 0.304014 3.514830
|
|
912 912 1 -0.000000 32.041000 14.396560 19.091980 19.556184 10.267000 16.606510 5.655660
|
|
913 913 1 -0.000000 32.041000 5.007515 11.022896 -8.784249 -2.876410 0.254650 -3.536540
|
|
914 914 1 -0.000000 32.041000 4.648230 9.245030 -4.484168 1.701650 -0.897215 -0.053690
|
|
915 915 1 -0.000000 32.041000 3.380983 14.491571 -2.792463 -0.843378 -0.981480 7.641970
|
|
916 916 1 -0.000000 32.041000 9.533948 14.221605 -5.694033 1.299880 0.569430 -3.100430
|
|
917 917 1 -0.000000 32.041000 9.408544 9.303295 -2.695390 -1.793751 4.762600 -1.467910
|
|
918 918 1 -0.000000 32.041000 2.715313 15.675569 -5.521408 -5.520880 -16.111050 7.510140
|
|
919 919 1 -0.000000 32.041000 5.998055 9.210122 -1.068629 0.056626 -5.853410 -1.957860
|
|
920 920 1 -0.000000 32.041000 3.497756 18.329564 -7.151763 -0.155860 16.121490 -11.105000
|
|
921 921 1 -0.000000 32.041000 7.924556 11.688637 -7.004301 2.242714 0.498748 3.838360
|
|
922 922 1 -0.000000 32.041000 2.084273 17.425484 -1.311631 -1.457880 -10.271940 -0.722290
|
|
923 923 1 -0.000000 32.041000 11.559032 8.281896 -7.482611 5.549030 -3.343900 5.250264
|
|
924 924 1 -0.000000 32.041000 5.529089 14.689434 -7.772430 2.891186 1.131960 -5.783590
|
|
925 925 1 -0.000000 32.041000 7.437199 19.906980 -9.432645 3.739440 -8.775130 1.296790
|
|
926 926 1 -0.000000 32.041000 9.274690 18.361856 -1.915016 3.024480 5.608260 -10.925789
|
|
927 927 1 -0.000000 32.041000 15.727154 8.487376 0.141677 -4.402770 -6.063277 4.004220
|
|
928 928 1 -0.000000 32.041000 19.296612 16.481544 -1.856679 -2.175929 3.258000 -0.892266
|
|
929 929 1 -0.000000 32.041000 12.839411 11.506022 -9.528415 -5.407540 4.654900 7.316280
|
|
930 930 1 0.000000 32.041000 4.795987 19.205442 -2.364209 4.824300 6.480077 -1.566870
|
|
931 931 1 -0.000000 32.041000 12.497936 19.932797 -0.914742 -0.258570 -2.561600 -1.375680
|
|
932 932 1 -0.000000 32.041000 8.734231 12.375394 -2.016984 -1.179177 2.091730 4.096821
|
|
933 933 1 -0.000000 32.041000 12.108019 19.294686 -7.719274 -1.446260 -2.762460 -10.117756
|
|
934 934 1 -0.000000 32.041000 1.823677 10.913382 0.195799 0.376310 1.513690 1.483904
|
|
935 935 1 -0.000000 32.041000 5.246984 19.993488 1.037151 -0.767330 3.148960 -1.634990
|
|
936 936 1 -0.000000 32.041000 15.535432 14.075776 -2.156574 -4.765560 6.107357 -11.394690
|
|
937 937 1 0.000000 32.041000 12.579081 15.622644 -1.182276 0.654680 -2.252741 -3.532322
|
|
938 938 1 -0.000000 32.041000 15.761793 18.485617 -6.561309 -1.292640 -0.146833 -0.063640
|
|
939 939 1 -0.000000 32.041000 13.802906 15.330215 -6.713440 -1.476030 0.651900 2.054630
|
|
940 940 1 -0.000000 32.041000 17.105037 10.102757 -2.230901 1.373030 4.390920 -7.722080
|
|
941 941 1 -0.000000 32.041000 11.164986 8.997095 0.878566 1.538750 0.323220 1.001890
|
|
942 942 1 -0.000000 32.041000 5.726703 15.629589 0.893585 -4.058200 -1.981310 1.431103
|
|
943 943 1 0.000000 32.041000 15.291407 11.911065 -6.402666 4.571930 0.742020 -0.326218
|
|
944 944 1 -0.000000 32.041000 17.374171 12.603739 -8.795052 -9.967050 6.405920 -7.835470
|
|
945 945 1 0.000000 32.041000 13.325482 12.835677 0.733828 0.189426 1.469920 12.531924
|
|
946 946 1 -0.000000 32.041000 1.606902 13.155003 6.634724 3.740400 -2.081776 5.754140
|
|
947 947 1 -0.000000 32.041000 5.425083 12.941646 3.068230 1.538633 0.803900 -1.012657
|
|
948 948 1 -0.000000 32.041000 7.527479 7.751214 7.475996 0.868190 0.914276 -1.068352
|
|
949 949 1 -0.000000 32.041000 3.574308 13.699726 9.723912 -2.411343 -0.319170 -2.226420
|
|
950 950 1 -0.000000 32.041000 4.367810 8.356935 7.356267 1.396060 -1.301750 1.898990
|
|
951 951 1 -0.000000 32.041000 5.783305 17.049414 3.954192 8.312520 -1.357873 -1.275674
|
|
952 952 1 -0.000000 32.041000 2.729629 17.271345 5.285085 -9.078226 2.820830 0.035070
|
|
953 953 1 -0.000000 32.041000 9.491992 12.670503 1.261471 3.065000 -0.707509 -5.529620
|
|
954 954 1 -0.000000 32.041000 9.686064 17.300725 10.502256 -3.669390 -4.437990 -0.422370
|
|
955 955 1 -0.000000 32.041000 18.128618 13.740886 1.314506 -0.664490 -6.411470 8.033600
|
|
956 956 1 -0.000000 32.041000 18.204219 8.737821 2.648191 -0.435130 9.592690 -8.903390
|
|
957 957 1 -0.000000 32.041000 5.317881 18.511509 8.156839 1.522550 3.110736 3.549080
|
|
958 958 1 -0.000000 32.041000 16.623012 11.612473 3.472764 -4.322540 -2.763410 1.711520
|
|
959 959 1 -0.000000 32.041000 9.106217 19.291981 6.660515 -0.336220 -2.863300 1.413190
|
|
960 960 1 -0.000000 32.041000 9.160554 18.327261 1.236344 0.088300 -1.816300 4.845950
|
|
961 961 1 -0.000000 32.041000 0.856036 10.404876 10.430610 -1.760533 -1.154940 1.221490
|
|
962 962 1 -0.000000 32.041000 12.798794 17.762129 10.212015 4.205652 1.357720 4.269030
|
|
963 963 1 -0.000000 32.041000 7.463731 11.461738 9.430872 1.193617 -0.299870 2.861420
|
|
964 964 1 -0.000000 32.041000 12.587250 14.759582 5.425818 -0.550250 3.661794 2.420152
|
|
965 965 1 -0.000000 32.041000 13.065006 9.472980 7.017660 -0.374223 -5.472822 -1.267560
|
|
966 966 1 -0.000000 32.041000 12.162417 18.269916 2.617804 1.273436 -0.972894 3.380180
|
|
967 967 1 -0.000000 32.041000 16.206643 13.156084 8.109178 3.630800 0.403100 -4.329320
|
|
968 968 1 -0.000000 32.041000 17.075312 18.005702 7.133341 -4.568680 -8.500604 4.970920
|
|
969 969 1 -0.000000 32.041000 17.219231 15.336974 5.619995 -4.402135 -3.675143 3.265000
|
|
970 970 1 -0.000000 32.041000 14.570452 15.791130 2.870580 -3.507747 -6.918309 -0.024036
|
|
971 971 1 0.000000 32.041000 16.363070 10.577917 11.032061 3.863855 -0.931920 -0.686080
|
|
972 972 1 -0.000000 32.041000 11.161196 11.800488 6.272924 -1.827790 -0.769960 -2.074490
|
|
973 973 1 -0.000000 32.041000 12.080851 13.702039 9.160970 0.000810 0.576622 1.131790
|
|
974 974 1 -0.000000 32.041000 6.645979 9.114131 11.472202 1.891730 3.127250 -0.290900
|
|
975 975 1 -0.000000 32.041000 2.413860 10.271702 17.977393 -1.808050 1.269861 -1.588990
|
|
976 976 1 -0.000000 32.041000 3.115855 18.605282 12.341196 -1.994080 -0.913490 -3.077824
|
|
977 977 1 -0.000000 32.041000 8.030033 16.863627 15.746112 -5.112320 6.756510 2.492320
|
|
978 978 1 -0.000000 32.041000 0.831376 19.459740 15.150561 0.197350 -1.493160 -0.310265
|
|
979 979 1 -0.000000 32.041000 3.800587 11.686413 13.101989 0.145645 1.427936 -3.769697
|
|
980 980 1 -0.000000 32.041000 4.131481 16.516112 14.467118 3.856090 0.819620 6.011770
|
|
981 981 1 -0.000000 32.041000 5.989229 8.993873 15.149619 -3.572160 2.471145 -1.069496
|
|
982 982 1 -0.000000 32.041000 7.718177 19.517044 13.331309 -15.120100 -3.813434 7.259570
|
|
983 983 1 -0.000000 32.041000 3.853978 17.507807 18.341153 -0.985468 -3.238640 -1.920430
|
|
984 984 1 -0.000000 32.041000 7.893382 9.246763 18.807090 3.403610 -3.146000 1.012160
|
|
985 985 1 -0.000000 32.041000 6.803567 14.090441 18.859846 -17.122010 0.967120 -6.811900
|
|
986 986 1 -0.000000 32.041000 16.782526 15.104064 11.059346 4.564670 3.366840 1.637750
|
|
987 987 1 -0.000000 32.041000 7.394510 15.291154 12.531778 4.846410 -3.733270 -5.374170
|
|
988 988 1 -0.000000 32.041000 18.908663 14.801201 14.583995 4.016840 6.719920 -2.493664
|
|
989 989 1 -0.000000 32.041000 14.599134 19.170419 12.863005 1.146300 -1.074720 -1.077291
|
|
990 990 1 -0.000000 32.041000 10.300092 10.079064 15.959084 -5.836490 3.281640 2.108621
|
|
991 991 1 0.000000 32.041000 19.083324 17.660624 11.432251 0.138990 2.520390 -2.004460
|
|
992 992 1 -0.000000 32.041000 19.365062 11.865587 13.040172 -2.955600 -8.867290 0.310220
|
|
993 993 1 -0.000000 32.041000 10.451770 14.263286 17.378296 19.282910 -1.977720 -2.746470
|
|
994 994 1 -0.000000 32.041000 17.591146 9.664738 18.867254 -4.988273 -0.815160 0.756944
|
|
995 995 1 0.000000 32.041000 13.956704 10.722615 17.960054 5.496121 2.275570 -1.770190
|
|
996 996 1 0.000000 32.041000 16.371235 17.498978 16.389598 -20.260494 1.546373 -12.421895
|
|
997 997 1 -0.000000 32.041000 18.515464 16.555008 18.455880 14.941358 0.055230 6.702020
|
|
998 998 1 -0.000000 32.041000 11.469964 13.893604 13.824517 -2.806750 0.212584 5.141430
|
|
999 999 1 -0.000000 32.041000 14.469281 12.193608 14.445371 -1.320170 -0.168521 3.078069
|
|
1000 1000 1 -0.000000 32.041000 13.035816 17.217640 17.031251 4.603410 -16.039490 -10.380970
|
|
ITEM: TIMESTEP
|
|
2250
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -16.436998 -10.729612 -16.623259 -4.173690 -0.075830 -5.532720
|
|
2 2 1 -0.000000 32.041000 -14.108167 -9.422019 -14.209154 -0.056202 -0.238280 -4.444360
|
|
3 3 1 -0.000000 32.041000 -14.192841 -19.234525 -18.646395 -0.407507 0.060177 -2.253180
|
|
4 4 1 -0.000000 32.041000 -11.373820 -8.160798 -18.113787 4.179220 -1.371223 1.348154
|
|
5 5 1 -0.000000 32.041000 -16.783475 -13.511645 -13.288810 1.874160 3.812979 -1.084650
|
|
6 6 1 -0.000000 32.041000 -19.769986 -12.409376 -14.249180 3.310690 5.217200 1.575230
|
|
7 7 1 -0.000000 32.041000 -14.965269 -15.448756 -17.148603 -11.194740 0.340960 -4.087290
|
|
8 8 1 -0.000000 32.041000 -15.115021 -18.523958 -14.041282 -6.712680 1.129670 0.203376
|
|
9 9 1 -0.000000 32.041000 -15.034844 -10.827411 -19.617541 8.580240 0.744090 -0.328140
|
|
10 10 1 -0.000000 32.041000 -11.960663 -13.111604 -13.540458 -0.939250 -0.537300 -5.266820
|
|
11 11 1 -0.000000 32.041000 -10.924146 -8.647971 -14.764132 -3.310620 4.140780 0.885750
|
|
12 12 1 -0.000000 32.041000 -18.110778 -17.265498 -13.336267 -0.210070 -2.227100 -2.518850
|
|
13 13 1 -0.000000 32.041000 20.025259 -18.886788 -11.809063 1.205860 3.719300 1.843330
|
|
14 14 1 -0.000000 32.041000 -17.508070 -18.172249 -18.358447 3.783330 1.838157 3.366210
|
|
15 15 1 -0.000000 32.041000 -19.848113 -7.603798 -16.320091 4.532650 1.819320 -1.645750
|
|
16 16 1 -0.000000 32.041000 -15.361964 -6.485030 -18.140865 -6.014900 3.182550 -1.996860
|
|
17 17 1 0.000000 32.041000 -18.888833 -14.427124 -20.556029 -2.223600 -4.519390 1.335640
|
|
18 18 1 -0.000000 32.041000 -14.225840 -17.432579 -11.340139 0.885730 -3.210444 5.912509
|
|
19 19 1 0.000000 32.041000 -8.210662 -19.659107 -18.873498 -4.229590 -2.677379 0.464798
|
|
20 20 1 -0.000000 32.041000 -16.606588 -11.376790 -10.886832 0.950270 -4.861080 0.855470
|
|
21 21 1 -0.000000 32.041000 -18.536869 -6.503192 -11.511834 2.006780 -0.288054 0.983180
|
|
22 22 1 -0.000000 32.041000 -12.144187 -10.747485 -10.975555 -1.820680 3.462410 7.760410
|
|
23 23 1 -0.000000 32.041000 20.143514 -11.819692 -18.526411 12.764170 4.002491 -6.433768
|
|
24 24 1 -0.000000 32.041000 -10.434799 -19.576135 -15.421027 1.658430 -2.083807 -5.097930
|
|
25 25 1 -0.000000 32.041000 -11.790841 -15.920129 -16.926276 6.377020 -5.723880 2.141026
|
|
26 26 1 -0.000000 32.041000 -12.651427 -6.291067 -12.091017 1.630170 -0.970660 2.770069
|
|
27 27 1 -0.000000 32.041000 -19.066068 -9.903346 20.498045 -7.323315 -0.915979 2.013250
|
|
28 28 1 -0.000000 32.041000 -20.670296 -10.050209 -9.765823 -0.084160 -0.278460 -1.422030
|
|
29 29 1 0.000000 32.041000 -10.215047 -12.387963 -16.390918 -0.109090 -1.263060 1.518720
|
|
30 30 1 -0.000000 32.041000 -6.375629 -17.153869 19.482080 2.456564 2.601210 -2.449120
|
|
31 31 1 -0.000000 32.041000 20.082903 -14.895037 -15.948134 -1.755500 -1.125840 0.334510
|
|
32 32 1 -0.000000 32.041000 -11.192929 -17.737966 -10.742796 2.781680 0.122230 -0.456780
|
|
33 33 1 -0.000000 32.041000 -11.793815 20.004123 -13.335652 12.294320 -3.755940 7.251170
|
|
34 34 1 -0.000000 32.041000 -2.556918 -6.683851 -15.795816 -0.381040 -2.036680 -2.247729
|
|
35 35 1 0.000000 32.041000 0.302551 -17.069398 -10.488475 1.821840 0.705870 -2.925450
|
|
36 36 1 -0.000000 32.041000 -0.154292 -12.209993 -13.441258 1.577920 -0.363430 -5.069210
|
|
37 37 1 0.000000 32.041000 -6.602981 -6.673312 -14.354559 9.917610 -0.227509 1.329960
|
|
38 38 1 -0.000000 32.041000 0.126960 19.861902 -15.756840 -3.157940 0.818110 -2.220940
|
|
39 39 1 -0.000000 32.041000 -1.221765 -20.369813 -12.962775 3.622690 1.378663 -1.391460
|
|
40 40 1 0.000000 32.041000 -1.659713 -10.764449 -19.288957 -7.385260 -3.846350 -5.279744
|
|
41 41 1 0.000000 32.041000 -2.215449 -13.377976 19.654688 -0.308622 -0.938110 4.713610
|
|
42 42 1 -0.000000 32.041000 -2.675298 -9.990865 -15.281041 5.328194 2.968040 0.158164
|
|
43 43 1 -0.000000 32.041000 -0.655208 -17.955352 -17.874705 0.691712 -0.331280 3.702897
|
|
44 44 1 0.000000 32.041000 -2.616103 -16.283052 -15.019377 6.119310 -0.297560 -2.323497
|
|
45 45 1 -0.000000 32.041000 -6.796097 -16.805682 -9.926769 2.493740 14.394520 -4.977260
|
|
46 46 1 0.000000 32.041000 -7.348840 -9.381689 -10.653674 -7.620850 -1.164266 1.583745
|
|
47 47 1 -0.000000 32.041000 -4.271851 -13.171049 -11.620046 2.268884 1.201874 1.899024
|
|
48 48 1 -0.000000 32.041000 -6.117711 -13.447222 -18.542790 3.770480 0.850840 -4.746900
|
|
49 49 1 -0.000000 32.041000 -2.230223 -8.531022 -10.674598 -0.661838 2.938453 -3.777340
|
|
50 50 1 -0.000000 32.041000 -5.135404 -18.393408 -16.120990 -7.216070 2.838800 -1.057840
|
|
51 51 1 -0.000000 32.041000 -7.627074 -12.923269 20.044266 -3.446657 -2.051790 1.376120
|
|
52 52 1 -0.000000 32.041000 -5.425072 -8.731117 -18.993882 -1.085560 -12.946660 -0.989970
|
|
53 53 1 -0.000000 32.041000 -3.920627 -16.563902 -19.851772 -4.660700 2.885780 -3.039170
|
|
54 54 1 -0.000000 32.041000 -7.557876 -15.613901 -16.318864 2.913450 -4.887826 2.826510
|
|
55 55 1 -0.000000 32.041000 -8.742230 -13.506789 -10.073556 6.664136 -3.680544 -5.269900
|
|
56 56 1 -0.000000 32.041000 -7.423919 -10.836715 -15.060065 -1.254320 -1.214470 -2.058320
|
|
57 57 1 -0.000000 32.041000 1.240578 -13.670984 -17.889189 -4.941130 -0.320920 -6.818910
|
|
58 58 1 -0.000000 32.041000 -18.016361 -13.912421 -9.402925 -1.298124 3.416780 -0.949709
|
|
59 59 1 -0.000000 32.041000 -15.652842 -13.952701 -20.667428 2.331970 3.784710 2.439206
|
|
60 60 1 0.000000 32.041000 -16.715180 -15.696036 -6.194255 12.235100 -1.050730 3.317890
|
|
61 61 1 -0.000000 32.041000 -12.779959 -13.491573 -9.088341 -14.839800 -4.947870 -8.520220
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|
|
875 875 1 -0.000000 32.041000 9.446055 16.076012 -13.086626 -1.518140 16.924548 0.511907
|
|
876 876 1 -0.000000 32.041000 6.330594 10.666033 -15.826666 3.875700 -8.477500 -1.619290
|
|
877 877 1 -0.000000 32.041000 6.698353 16.288701 -15.762997 5.679340 0.802380 0.495450
|
|
878 878 1 -0.000000 32.041000 19.554753 18.668987 -19.526353 0.237545 1.562078 5.329858
|
|
879 879 1 -0.000000 32.041000 2.067465 8.424461 -9.524117 3.439624 -12.868050 0.718110
|
|
880 880 1 -0.000000 32.041000 9.986922 13.627530 -15.696885 -1.451890 9.312120 -11.151460
|
|
881 881 1 -0.000000 32.041000 8.315257 12.703068 -18.271042 0.681380 2.442820 -1.074840
|
|
882 882 1 -0.000000 32.041000 1.386597 8.568979 -19.986689 1.664000 -3.194240 3.616890
|
|
883 883 1 -0.000000 32.041000 2.646478 13.857460 -15.424540 0.268860 -2.228232 3.105765
|
|
884 884 1 0.000000 32.041000 2.438456 17.602732 -20.017461 -2.741990 -12.199591 4.117600
|
|
885 885 1 -0.000000 32.041000 5.312156 16.265615 -10.833806 3.326740 0.246380 -12.144290
|
|
886 886 1 -0.000000 32.041000 4.421476 9.161718 -18.991251 -0.797500 -0.385709 1.457550
|
|
887 887 1 -0.000000 32.041000 1.740868 8.428950 -15.206685 4.373771 -1.578248 2.861820
|
|
888 888 1 -0.000000 32.041000 3.253295 10.802189 -13.260388 -2.774810 8.463590 -5.822300
|
|
889 889 1 -0.000000 32.041000 4.506486 15.049620 -20.522300 -3.332290 0.166160 13.998020
|
|
890 890 1 -0.000000 32.041000 8.169239 13.108527 -12.536235 -3.364497 -16.630377 2.298820
|
|
891 891 1 -0.000000 32.041000 9.731007 18.175536 -17.097288 -4.863760 0.793482 6.410200
|
|
892 892 1 0.000000 32.041000 10.944707 9.270208 -17.045583 -0.078520 -6.135915 4.357560
|
|
893 893 1 -0.000000 32.041000 1.021052 14.481444 20.273441 -7.273703 5.024050 -3.357442
|
|
894 894 1 0.000000 32.041000 11.006928 11.043606 -13.026156 5.325740 -8.786020 10.445084
|
|
895 895 1 -0.000000 32.041000 8.142120 16.413184 20.542501 -1.334340 0.173410 2.039400
|
|
896 896 1 -0.000000 32.041000 14.719018 19.961442 -9.137106 -1.404490 -0.045580 -2.006474
|
|
897 897 1 -0.000000 32.041000 7.791262 20.032493 -10.059385 -12.190820 -9.049100 0.344840
|
|
898 898 1 -0.000000 32.041000 12.797477 8.724238 -10.774249 -6.347870 -6.210680 0.987211
|
|
899 899 1 0.000000 32.041000 13.578476 9.276431 -19.069985 0.390780 2.878730 -1.933240
|
|
900 900 1 -0.000000 32.041000 18.129761 8.498621 -15.332325 -5.096058 -2.158610 1.719030
|
|
901 901 1 -0.000000 32.041000 19.057243 9.459766 -12.021871 0.744180 -2.172610 -0.785590
|
|
902 902 1 -0.000000 32.041000 13.584851 16.200877 -11.929226 -10.180052 0.254246 9.730059
|
|
903 903 1 -0.000000 32.041000 15.064300 12.502146 -12.600551 -1.519486 -7.334070 2.209515
|
|
904 904 1 -0.000000 32.041000 11.433575 15.549716 -20.606561 -1.378670 0.363030 -5.148730
|
|
905 905 1 0.000000 32.041000 18.547604 18.150970 -11.459301 -0.414300 -3.371473 -1.265120
|
|
906 906 1 -0.000000 32.041000 14.737981 19.783984 -16.236753 -1.198222 -5.776090 -3.092190
|
|
907 907 1 -0.000000 32.041000 14.384135 12.550171 -19.620818 3.678932 9.972092 8.056428
|
|
908 908 1 -0.000000 32.041000 15.155484 9.622980 -14.544678 -0.473620 0.242500 1.511410
|
|
909 909 1 -0.000000 32.041000 18.559542 13.054727 -15.186661 -2.265820 -0.608901 -2.439120
|
|
910 910 1 -0.000000 32.041000 15.261572 15.418926 -18.107521 0.273750 -4.006030 3.023668
|
|
911 911 1 -0.000000 32.041000 16.467518 16.304360 -13.177899 12.872652 1.555780 -6.573210
|
|
912 912 1 -0.000000 32.041000 13.198719 19.302673 -13.062441 1.715820 5.211180 -1.014780
|
|
913 913 1 -0.000000 32.041000 5.596246 11.657855 -9.289604 -4.009950 -0.171450 -4.783820
|
|
914 914 1 -0.000000 32.041000 5.053780 10.394083 -4.817401 -3.699333 3.109864 0.441440
|
|
915 915 1 -0.000000 32.041000 3.285151 15.139962 -3.064615 6.384550 -0.552760 15.477370
|
|
916 916 1 -0.000000 32.041000 10.199632 13.888986 -5.860162 -1.680220 1.021260 -1.102893
|
|
917 917 1 -0.000000 32.041000 2.474468 12.797100 -9.736961 0.603080 3.811390 -0.192150
|
|
918 918 1 -0.000000 32.041000 8.685262 9.132823 -3.222642 1.842060 4.077496 2.113800
|
|
919 919 1 -0.000000 32.041000 2.052896 16.002480 -5.690475 -3.059420 3.651300 -14.283013
|
|
920 920 1 -0.000000 32.041000 5.805171 9.662430 -1.112469 0.484160 -2.500630 -1.776650
|
|
921 921 1 -0.000000 32.041000 4.125082 18.777940 -7.325412 -1.451190 -2.698100 -3.301870
|
|
922 922 1 -0.000000 32.041000 8.040237 11.544061 -7.171192 11.162342 -1.631560 5.881280
|
|
923 923 1 -0.000000 32.041000 1.894300 17.380919 -0.686276 3.024290 -10.175629 -7.303621
|
|
924 924 1 -0.000000 32.041000 5.498212 15.129682 -7.751858 1.782149 -12.574600 8.456107
|
|
925 925 1 -0.000000 32.041000 9.438895 19.539804 -1.340782 -4.679564 -3.201330 0.156749
|
|
926 926 1 -0.000000 32.041000 18.090383 12.395473 -9.068860 -1.293438 1.305950 3.967265
|
|
927 927 1 0.000000 32.041000 4.538355 19.545813 -2.055812 4.570392 2.123930 2.888450
|
|
928 928 1 -0.000000 32.041000 11.682036 7.845556 -7.415842 2.547118 -1.140270 -2.562466
|
|
929 929 1 -0.000000 32.041000 8.710894 12.607295 -1.817267 -5.560230 -3.061660 -5.472427
|
|
930 930 1 0.000000 32.041000 1.223721 11.893908 1.123327 3.352580 -8.462080 2.534460
|
|
931 931 1 -0.000000 32.041000 12.112540 15.624909 -1.408926 0.355360 8.391050 -9.200630
|
|
932 932 1 -0.000000 32.041000 5.755715 15.441619 1.092834 0.392748 -3.146719 3.838550
|
|
933 933 1 -0.000000 32.041000 18.268490 8.622454 -5.489144 -1.756750 4.761200 3.896785
|
|
934 934 1 -0.000000 32.041000 15.510211 8.956213 0.274196 -0.768030 1.438370 -5.645687
|
|
935 935 1 -0.000000 32.041000 19.293416 16.686023 -2.517026 -7.748530 -8.857660 -6.786420
|
|
936 936 1 -0.000000 32.041000 12.921944 11.890919 -9.405044 1.240334 7.584690 -6.212081
|
|
937 937 1 -0.000000 32.041000 11.539057 19.020997 -7.869594 1.264320 -0.498450 -0.265880
|
|
938 938 1 -0.000000 32.041000 15.468882 15.011943 -2.835401 2.379009 -1.229370 3.361630
|
|
939 939 1 -0.000000 32.041000 16.563267 17.557143 -7.415101 -2.715488 3.136900 1.661600
|
|
940 940 1 -0.000000 32.041000 15.578406 12.559190 -6.667878 3.361210 -0.206360 -2.700620
|
|
941 941 1 0.000000 32.041000 13.991526 15.472929 -7.018443 -2.011979 -2.934699 -1.682404
|
|
942 942 1 -0.000000 32.041000 17.063712 10.538686 -2.640841 0.877150 -6.170120 1.823631
|
|
943 943 1 -0.000000 32.041000 1.580323 12.805638 7.247042 -1.121062 0.925150 -8.331112
|
|
944 944 1 -0.000000 32.041000 5.728918 12.143634 3.378949 -0.062902 2.791350 -2.796840
|
|
945 945 1 -0.000000 32.041000 7.491985 8.356259 7.780886 0.799940 -7.060409 -4.227327
|
|
946 946 1 -0.000000 32.041000 3.485936 13.701013 9.452880 7.870190 -6.462580 6.760110
|
|
947 947 1 -0.000000 32.041000 4.007885 8.576280 7.391856 0.574114 -2.827027 -0.846887
|
|
948 948 1 -0.000000 32.041000 6.105049 16.134041 4.868579 -5.224346 0.183670 -3.411193
|
|
949 949 1 -0.000000 32.041000 2.712098 16.795358 4.400633 3.309320 0.448276 -3.093260
|
|
950 950 1 -0.000000 32.041000 9.949484 12.590010 0.965978 8.107315 0.948020 5.151490
|
|
951 951 1 -0.000000 32.041000 5.422766 19.923710 1.435893 -4.433570 1.777000 1.913330
|
|
952 952 1 -0.000000 32.041000 9.254873 16.259007 10.418466 -1.831900 -0.690400 -3.157620
|
|
953 953 1 -0.000000 32.041000 6.156549 19.484769 8.467842 -5.325392 2.046960 0.316379
|
|
954 954 1 -0.000000 32.041000 8.933137 18.895962 6.896125 4.796670 -5.927500 1.719960
|
|
955 955 1 -0.000000 32.041000 9.531774 18.476305 1.661372 -15.509220 4.420620 -11.403520
|
|
956 956 1 -0.000000 32.041000 7.177533 12.029014 10.058266 -0.697200 4.933700 5.614351
|
|
957 957 1 -0.000000 32.041000 10.621203 9.290991 1.228940 -1.315350 -1.245900 -2.257220
|
|
958 958 1 -0.000000 32.041000 12.116850 11.053263 4.841415 -4.879287 0.879144 5.277050
|
|
959 959 1 -0.000000 32.041000 18.567614 13.732494 1.701323 -7.903980 -5.963140 -3.762331
|
|
960 960 1 -0.000000 32.041000 13.199495 13.904377 1.128766 -6.176850 -18.576810 -3.479990
|
|
961 961 1 -0.000000 32.041000 18.222647 9.119993 2.819372 2.321350 2.240180 -0.769200
|
|
962 962 1 -0.000000 32.041000 16.032685 11.665485 3.425051 3.837660 4.254430 -0.483920
|
|
963 963 1 -0.000000 32.041000 11.620772 12.373749 8.480335 1.782480 -3.405410 0.096190
|
|
964 964 1 -0.000000 32.041000 12.012087 17.563035 10.086930 7.180331 5.557680 -0.476830
|
|
965 965 1 -0.000000 32.041000 12.449092 14.506348 5.501450 5.772960 2.806702 -3.040960
|
|
966 966 1 -0.000000 32.041000 14.106362 8.924292 6.546834 -0.126790 3.257660 3.294370
|
|
967 967 1 -0.000000 32.041000 12.212114 18.114056 2.884414 18.097244 -2.506090 12.176950
|
|
968 968 1 -0.000000 32.041000 16.574257 12.822269 8.268846 1.669838 2.965580 -8.749930
|
|
969 969 1 -0.000000 32.041000 16.387652 17.443358 7.518861 2.783020 -4.073390 -3.520920
|
|
970 970 1 -0.000000 32.041000 18.349043 14.934151 6.047352 -4.671925 7.446260 0.864100
|
|
971 971 1 -0.000000 32.041000 14.737352 15.823830 3.016926 -2.468480 7.689160 10.586980
|
|
972 972 1 -0.000000 32.041000 2.315715 10.722531 17.557810 -0.590300 -3.048260 -1.220594
|
|
973 973 1 -0.000000 32.041000 2.759866 18.950405 11.838864 -9.115190 2.818108 5.145900
|
|
974 974 1 -0.000000 32.041000 7.263864 17.101702 15.354060 -3.436369 -1.196260 -2.817902
|
|
975 975 1 -0.000000 32.041000 17.214887 10.257803 11.373962 -2.680920 -1.108120 6.360269
|
|
976 976 1 -0.000000 32.041000 3.910809 11.758203 12.321466 -3.352420 3.309610 -5.475724
|
|
977 977 1 -0.000000 32.041000 3.827950 16.517803 14.632054 8.865080 3.733525 3.010010
|
|
978 978 1 -0.000000 32.041000 6.296584 9.300716 15.529816 -3.642790 -0.326420 -4.329300
|
|
979 979 1 -0.000000 32.041000 7.717661 19.694437 12.827290 -1.424720 0.966330 5.007174
|
|
980 980 1 -0.000000 32.041000 6.717253 9.154558 11.808742 1.304600 1.109880 5.454420
|
|
981 981 1 -0.000000 32.041000 4.432270 18.681078 18.767359 7.267190 9.839050 -5.214970
|
|
982 982 1 -0.000000 32.041000 9.313655 9.626462 19.202860 -1.890364 -0.127270 -2.435430
|
|
983 983 1 -0.000000 32.041000 5.581785 14.419848 17.725438 9.191773 -3.111520 -8.346070
|
|
984 984 1 -0.000000 32.041000 10.347380 7.848779 13.421252 0.368210 -4.796793 0.288820
|
|
985 985 1 -0.000000 32.041000 6.945596 15.636219 12.407027 -2.069930 -2.418133 0.472520
|
|
986 986 1 -0.000000 32.041000 10.804246 19.423761 14.468103 -2.249379 1.733800 3.177330
|
|
987 987 1 -0.000000 32.041000 10.111307 9.974259 16.041995 -1.502340 -4.048515 0.339304
|
|
988 988 1 0.000000 32.041000 10.167302 13.886328 17.147878 1.959810 1.389410 -2.495333
|
|
989 989 1 -0.000000 32.041000 15.341327 19.111980 19.554647 -1.467810 2.491340 -1.950030
|
|
990 990 1 -0.000000 32.041000 11.417809 13.336188 13.142348 2.730900 -0.487111 5.505290
|
|
991 991 1 -0.000000 32.041000 16.833692 14.713025 11.324119 4.194650 5.563840 -5.127870
|
|
992 992 1 -0.000000 32.041000 14.530183 18.545670 11.889949 -7.895240 2.387630 2.913620
|
|
993 993 1 0.000000 32.041000 18.394733 18.012344 11.661773 4.858731 -7.555460 -4.534470
|
|
994 994 1 0.000000 32.041000 13.035744 16.660149 17.391794 -3.556960 -1.357730 2.329020
|
|
995 995 1 -0.000000 32.041000 19.265037 11.913784 13.874373 1.080092 -7.069700 0.971550
|
|
996 996 1 -0.000000 32.041000 17.398700 9.903120 18.502033 1.359821 6.903237 2.391940
|
|
997 997 1 0.000000 32.041000 14.041630 10.906243 18.306805 1.509149 -14.056102 -8.013280
|
|
998 998 1 0.000000 32.041000 15.886550 16.635885 15.768678 6.216720 4.868878 -2.192420
|
|
999 999 1 -0.000000 32.041000 18.912416 17.109632 17.904287 -5.475868 -3.701179 4.185060
|
|
1000 1000 1 -0.000000 32.041000 14.566053 12.629416 15.359094 -5.150590 2.866450 -1.545099
|
|
ITEM: TIMESTEP
|
|
2500
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -16.644291 -10.513143 -16.796314 4.117854 2.900462 0.715100
|
|
2 2 1 -0.000000 32.041000 -14.164806 -9.346772 -14.816790 -2.097410 0.386451 1.123430
|
|
3 3 1 -0.000000 32.041000 -14.192643 -20.106026 -18.941225 2.771249 -4.629100 -5.080930
|
|
4 4 1 -0.000000 32.041000 -11.385029 -8.202610 -18.225354 -0.272070 -0.638154 -4.561040
|
|
5 5 1 -0.000000 32.041000 -16.057485 -13.126900 -13.203203 2.062060 -4.294812 -1.287900
|
|
6 6 1 -0.000000 32.041000 -19.038584 -12.493281 -14.270053 -4.426530 3.085650 -1.610010
|
|
7 7 1 -0.000000 32.041000 -15.331700 -15.116539 -17.016872 13.194420 2.221050 10.976781
|
|
8 8 1 -0.000000 32.041000 -14.699870 -18.419514 -13.667104 4.835470 -0.407670 -0.257680
|
|
9 9 1 -0.000000 32.041000 -15.392941 -11.740870 -19.465215 8.169730 13.663362 -9.666950
|
|
10 10 1 -0.000000 32.041000 -12.107593 -12.998207 -14.177393 4.031450 0.363160 -2.090280
|
|
11 11 1 -0.000000 32.041000 -10.722651 -8.298233 -14.653893 -8.454930 -2.942834 -3.906396
|
|
12 12 1 -0.000000 32.041000 -17.490803 -17.104432 -14.191967 -0.937840 4.263040 8.819683
|
|
13 13 1 -0.000000 32.041000 20.114759 -18.782293 -11.525316 -8.997360 -9.711160 -13.947480
|
|
14 14 1 -0.000000 32.041000 -16.529202 -18.006118 -18.105296 -8.011720 -12.583940 -8.369070
|
|
15 15 1 -0.000000 32.041000 -20.017903 -6.809274 -16.343993 4.259920 -2.682420 -1.350490
|
|
16 16 1 -0.000000 32.041000 -14.485060 -6.366718 -17.768246 -1.296900 1.372520 -3.117870
|
|
17 17 1 0.000000 32.041000 -18.725899 -14.002018 20.690822 -7.164700 -2.269021 -1.116150
|
|
18 18 1 -0.000000 32.041000 -13.456144 -17.002903 -10.801929 -5.188470 0.644510 -2.086452
|
|
19 19 1 -0.000000 32.041000 -7.422051 -19.470791 -19.514759 -1.173450 4.123870 -0.336330
|
|
20 20 1 -0.000000 32.041000 -16.600394 -10.811512 -10.709241 2.072850 6.068590 -2.009900
|
|
21 21 1 -0.000000 32.041000 -18.132786 -6.414151 -11.373436 -3.720689 -5.371110 0.374460
|
|
22 22 1 -0.000000 32.041000 -12.714514 -11.101775 -11.202247 2.008490 16.138160 -18.456200
|
|
23 23 1 -0.000000 32.041000 20.072563 -11.379926 -17.983141 -2.381700 -2.547000 -0.612630
|
|
24 24 1 -0.000000 32.041000 -9.943867 -19.024302 -15.246579 -1.511920 0.497835 -4.511970
|
|
25 25 1 -0.000000 32.041000 -11.931484 -16.490177 -17.878136 -0.845990 6.777980 3.808908
|
|
26 26 1 -0.000000 32.041000 -7.971971 19.403915 -13.381525 3.381500 -4.566810 2.108510
|
|
27 27 1 0.000000 32.041000 20.512274 -15.095074 -12.807912 -9.648880 -5.536824 15.249740
|
|
28 28 1 -0.000000 32.041000 20.641145 -10.184816 -9.561934 7.731190 3.782210 -2.210360
|
|
29 29 1 -0.000000 32.041000 -19.402124 -9.635754 -20.338178 1.004080 -6.704830 3.242549
|
|
30 30 1 0.000000 32.041000 -9.856681 -11.932341 -16.396206 -2.578540 0.005810 6.591160
|
|
31 31 1 -0.000000 32.041000 20.384142 -15.731724 -15.877275 1.440350 -3.102880 -8.639040
|
|
32 32 1 -0.000000 32.041000 0.415132 -13.677447 -17.788363 -4.038442 1.957650 -1.578050
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845 845 1 -0.000000 32.041000 9.144527 -5.012324 15.390592 0.340920 0.161070 0.331611
|
|
846 846 1 -0.000000 32.041000 5.680561 2.483133 17.930999 2.687500 2.528592 -3.830270
|
|
847 847 1 0.000000 32.041000 0.924963 -0.527366 18.378613 1.728160 1.037300 0.439930
|
|
848 848 1 -0.000000 32.041000 8.847271 5.281221 11.929526 4.804913 -2.327270 5.190540
|
|
849 849 1 -0.000000 32.041000 6.920769 -2.587364 15.756479 3.348700 -0.220560 -2.919700
|
|
850 850 1 -0.000000 32.041000 3.535904 3.480036 12.123402 0.874090 -1.105290 2.076410
|
|
851 851 1 -0.000000 32.041000 10.643616 -0.069687 16.346611 -3.039610 -1.429303 4.554230
|
|
852 852 1 -0.000000 32.041000 5.545677 -1.527903 18.508911 -1.744229 -5.796040 3.894410
|
|
853 853 1 -0.000000 32.041000 6.132830 -0.849685 11.480909 6.171650 1.592170 -3.897360
|
|
854 854 1 -0.000000 32.041000 1.299926 4.139246 18.445340 -1.998950 2.635331 3.031710
|
|
855 855 1 -0.000000 32.041000 10.601082 -3.812455 18.393693 2.474460 -3.441940 -0.504470
|
|
856 856 1 0.000000 32.041000 7.334660 6.447300 14.517955 -3.587680 -1.442378 6.460940
|
|
857 857 1 -0.000000 32.041000 8.425333 4.032578 18.453582 0.115200 3.697710 0.215270
|
|
858 858 1 -0.000000 32.041000 2.860122 6.752437 17.183701 -1.238800 -3.112050 13.861130
|
|
859 859 1 -0.000000 32.041000 3.350390 7.915892 13.959079 -0.883570 -3.931180 -13.222499
|
|
860 860 1 -0.000000 32.041000 18.103945 3.983599 16.405516 -6.576450 -9.965720 -1.618200
|
|
861 861 1 -0.000000 32.041000 15.065776 -1.212057 17.418541 -13.385400 -5.554230 7.309120
|
|
862 862 1 -0.000000 32.041000 12.715991 -2.326837 11.984692 1.093600 7.690911 6.073580
|
|
863 863 1 -0.000000 32.041000 17.799396 0.106204 16.236109 14.221610 12.321390 -5.081900
|
|
864 864 1 0.000000 32.041000 14.457884 4.854629 11.218900 -3.669080 2.056428 -3.961370
|
|
865 865 1 -0.000000 32.041000 7.403893 7.408535 20.072960 -0.146460 -1.611240 -1.877615
|
|
866 866 1 -0.000000 32.041000 17.894003 -5.479834 13.886334 0.260110 0.450460 0.364721
|
|
867 867 1 0.000000 32.041000 19.771642 -4.828880 19.063488 -1.917100 -4.698147 -2.363941
|
|
868 868 1 -0.000000 32.041000 12.637216 5.363428 19.417059 -4.535670 1.694498 -0.493900
|
|
869 869 1 -0.000000 32.041000 13.761424 -5.230710 18.926087 -4.450017 12.888776 4.535690
|
|
870 870 1 0.000000 32.041000 11.782608 4.947969 16.139864 2.312619 3.849120 1.721100
|
|
871 871 1 -0.000000 32.041000 13.056180 0.708751 19.206062 1.254420 -1.692290 -4.381380
|
|
872 872 1 -0.000000 32.041000 17.983799 4.171269 12.867328 4.374590 9.547740 3.368650
|
|
873 873 1 -0.000000 32.041000 12.901597 1.293412 14.451751 3.156690 -1.209910 -7.363620
|
|
874 874 1 -0.000000 32.041000 16.588280 7.486937 17.509777 -3.509640 3.925899 4.282470
|
|
875 875 1 -0.000000 32.041000 9.509967 16.978247 -13.094174 -1.329120 -10.557706 -4.412404
|
|
876 876 1 -0.000000 32.041000 6.913378 10.799992 -15.163809 -1.840550 -8.112790 1.080060
|
|
877 877 1 -0.000000 32.041000 6.797362 16.095411 -15.114212 6.296770 2.791550 -2.155460
|
|
878 878 1 -0.000000 32.041000 19.384615 19.332515 -19.357045 -5.041540 -1.995820 4.729430
|
|
879 879 1 0.000000 32.041000 1.883058 8.526136 -9.525192 -6.548200 -7.121140 9.473710
|
|
880 880 1 -0.000000 32.041000 10.423223 13.637630 -16.041130 -1.647140 -0.048730 1.948839
|
|
881 881 1 -0.000000 32.041000 7.935143 12.282059 -18.089224 0.393589 5.497086 -5.251845
|
|
882 882 1 -0.000000 32.041000 3.062608 14.492388 -14.931206 5.879608 -3.574535 6.814650
|
|
883 883 1 -0.000000 32.041000 2.145111 17.127869 -20.540396 11.774701 3.172517 6.490330
|
|
884 884 1 -0.000000 32.041000 5.210830 16.197020 -11.140151 4.473190 -10.396370 2.868543
|
|
885 885 1 -0.000000 32.041000 4.305610 9.544895 -18.727547 -5.231873 2.448040 -9.550428
|
|
886 886 1 -0.000000 32.041000 2.703646 10.548032 -13.541667 2.386397 10.845300 -7.251380
|
|
887 887 1 -0.000000 32.041000 4.515867 15.042340 -19.629854 -4.504230 -5.448560 -6.951260
|
|
888 888 1 -0.000000 32.041000 1.339824 9.184281 -20.074186 0.934660 -9.007490 6.130025
|
|
889 889 1 -0.000000 32.041000 8.611132 13.622143 -11.952482 -0.943028 3.187796 -2.500850
|
|
890 890 1 -0.000000 32.041000 3.365799 18.678326 -10.171139 -5.826790 7.472300 -13.994360
|
|
891 891 1 -0.000000 32.041000 10.062855 18.153459 -17.598054 -4.022640 -0.071860 3.562260
|
|
892 892 1 0.000000 32.041000 10.489213 9.023889 -16.995413 2.803670 5.437430 -1.255515
|
|
893 893 1 -0.000000 32.041000 7.390173 19.446081 -15.149053 -0.728430 1.628822 -0.724520
|
|
894 894 1 0.000000 32.041000 1.492062 14.000750 19.738284 -3.661590 -3.513864 -2.017575
|
|
895 895 1 0.000000 32.041000 10.558364 10.300900 -11.690811 4.249540 5.251459 -2.654480
|
|
896 896 1 0.000000 32.041000 13.010494 8.533724 -10.415571 -5.627950 1.709680 -5.498270
|
|
897 897 1 -0.000000 32.041000 13.574241 16.605367 -11.513650 -4.836526 -2.566407 2.797593
|
|
898 898 1 -0.000000 32.041000 19.119979 14.051492 -20.007462 -0.958670 2.509888 -3.279843
|
|
899 899 1 -0.000000 32.041000 7.795902 15.628664 19.990381 16.907150 1.953530 7.021024
|
|
900 900 1 -0.000000 32.041000 14.751981 14.844348 -17.498068 -1.214520 2.862720 2.475160
|
|
901 901 1 -0.000000 32.041000 13.746478 9.321829 -18.369441 -2.526632 -12.835880 5.967258
|
|
902 902 1 -0.000000 32.041000 17.546991 7.998496 -15.908325 3.161581 -2.260837 2.300030
|
|
903 903 1 0.000000 32.041000 2.346351 12.979523 -10.046703 0.544790 -6.243070 -0.198710
|
|
904 904 1 -0.000000 32.041000 18.235716 8.960215 -12.020378 -2.144390 -0.886670 1.417064
|
|
905 905 1 -0.000000 32.041000 15.608431 12.580139 -12.460901 -13.799400 4.435830 3.782700
|
|
906 906 1 -0.000000 32.041000 11.240095 14.722564 19.751234 0.493210 3.839712 5.933680
|
|
907 907 1 -0.000000 32.041000 18.838149 18.326605 -11.062292 -2.369450 -0.781550 -7.463981
|
|
908 908 1 -0.000000 32.041000 5.512374 11.165364 -9.796386 -8.456100 -10.223784 -2.067830
|
|
909 909 1 0.000000 32.041000 15.926980 10.500253 -14.760298 -2.522057 0.090520 -0.931610
|
|
910 910 1 -0.000000 32.041000 13.956098 12.177579 -19.223857 3.797600 8.895980 -7.348050
|
|
911 911 1 -0.000000 32.041000 18.695187 13.101548 -14.542032 15.137830 -0.559881 -5.619010
|
|
912 912 1 -0.000000 32.041000 16.358192 16.715090 -13.279701 8.435180 -1.336130 1.813160
|
|
913 913 1 0.000000 32.041000 1.713339 11.387388 -3.040972 -5.201660 -2.124790 1.108180
|
|
914 914 1 -0.000000 32.041000 5.530048 11.966361 -5.031389 3.187930 -7.972254 -7.658240
|
|
915 915 1 -0.000000 32.041000 4.198656 15.211388 -3.222942 3.050790 9.890483 0.260150
|
|
916 916 1 -0.000000 32.041000 9.951935 14.008161 -6.124535 -2.744750 0.538010 -2.443198
|
|
917 917 1 -0.000000 32.041000 8.049627 9.239165 -3.263411 16.495830 5.181320 -15.620040
|
|
918 918 1 -0.000000 32.041000 2.291135 16.627193 -6.645664 4.373976 -0.321830 4.072846
|
|
919 919 1 -0.000000 32.041000 5.380195 9.551830 -1.180031 -13.237640 -6.698120 17.470160
|
|
920 920 1 -0.000000 32.041000 4.773232 18.838248 -7.201553 -2.831430 -6.204900 11.264914
|
|
921 921 1 -0.000000 32.041000 8.034811 11.365286 -7.645277 1.682470 0.376248 4.302898
|
|
922 922 1 -0.000000 32.041000 2.287919 15.854940 -0.947625 -1.852170 2.192648 0.403134
|
|
923 923 1 -0.000000 32.041000 5.726196 14.468620 -8.548147 -2.116210 10.857390 2.620930
|
|
924 924 1 -0.000000 32.041000 16.800968 8.327302 -8.801237 -3.860122 -1.723550 -6.690290
|
|
925 925 1 0.000000 32.041000 17.987415 12.821940 -8.832695 4.282820 -2.794184 -1.612160
|
|
926 926 1 0.000000 32.041000 4.075998 18.840681 -1.120719 2.154160 4.431000 1.080510
|
|
927 927 1 -0.000000 32.041000 11.394094 7.667383 -7.634335 3.960960 -0.034760 4.431240
|
|
928 928 1 -0.000000 32.041000 8.333011 12.565972 -1.636628 -1.508760 -3.429440 -1.101866
|
|
929 929 1 -0.000000 32.041000 11.574290 16.225125 -2.004720 0.355000 -1.746692 0.012238
|
|
930 930 1 -0.000000 32.041000 18.084587 8.680334 -5.268654 -0.971610 1.358760 7.467329
|
|
931 931 1 -0.000000 32.041000 14.735619 9.820277 -0.261582 4.776133 -1.066470 -1.446550
|
|
932 932 1 -0.000000 32.041000 14.430680 20.054734 -8.274005 3.866659 -7.731980 -4.803090
|
|
933 933 1 -0.000000 32.041000 13.015278 12.233782 -9.779654 2.007050 -2.850870 1.240990
|
|
934 934 1 -0.000000 32.041000 11.380047 18.963704 -8.067595 -1.653970 6.811050 -1.296920
|
|
935 935 1 -0.000000 32.041000 15.499270 15.535491 -2.962817 -0.781420 -0.500630 0.134930
|
|
936 936 1 -0.000000 32.041000 16.406457 17.163996 -8.204229 0.175058 11.521780 2.979370
|
|
937 937 1 -0.000000 32.041000 15.908186 12.764688 -6.651827 1.231540 -2.812820 5.854500
|
|
938 938 1 0.000000 32.041000 13.847737 15.166049 -7.088005 -7.495120 -5.642830 -1.087812
|
|
939 939 1 -0.000000 32.041000 16.136057 11.148607 -3.276434 3.958660 -1.968286 1.100583
|
|
940 940 1 -0.000000 32.041000 10.879366 9.608910 0.336363 -11.450487 8.101740 2.452020
|
|
941 941 1 0.000000 32.041000 13.464399 14.367192 0.626142 -0.360503 1.305901 -5.890710
|
|
942 942 1 -0.000000 32.041000 2.073470 12.978670 6.226344 -3.519901 3.116723 6.102060
|
|
943 943 1 -0.000000 32.041000 6.123915 11.140863 3.106670 -1.259138 2.649197 1.404724
|
|
944 944 1 -0.000000 32.041000 7.079270 8.863086 7.530056 -1.610721 -2.065161 4.657707
|
|
945 945 1 -0.000000 32.041000 3.821899 13.041441 9.096634 2.976440 -3.155450 2.791490
|
|
946 946 1 -0.000000 32.041000 3.388364 8.492594 7.984258 0.616670 1.064920 -2.549120
|
|
947 947 1 -0.000000 32.041000 5.854852 15.632225 5.193141 0.300710 5.480200 0.992890
|
|
948 948 1 -0.000000 32.041000 6.120186 14.537227 2.054704 -4.488101 -2.878830 -4.754423
|
|
949 949 1 -0.000000 32.041000 3.209324 17.217007 3.269660 1.298240 -1.332550 5.184940
|
|
950 950 1 -0.000000 32.041000 10.062852 13.562032 0.934290 7.997823 -1.128280 0.016060
|
|
951 951 1 -0.000000 32.041000 1.396491 19.433457 4.963082 0.897180 2.529240 -5.005460
|
|
952 952 1 0.000000 32.041000 19.268454 19.622093 1.787010 4.273761 0.701861 -5.060170
|
|
953 953 1 -0.000000 32.041000 8.870742 15.730538 9.965637 3.508080 3.261870 -0.957540
|
|
954 954 1 -0.000000 32.041000 6.953400 19.531149 8.352940 1.257536 -2.040009 -0.584430
|
|
955 955 1 -0.000000 32.041000 9.259317 18.638108 6.143970 -3.571550 1.369020 4.506320
|
|
956 956 1 -0.000000 32.041000 8.826533 17.955410 1.532902 4.472690 1.484620 -0.731527
|
|
957 957 1 -0.000000 32.041000 12.425910 10.686038 4.488533 2.988430 -2.564640 0.397425
|
|
958 958 1 -0.000000 32.041000 14.027491 19.397755 6.002048 -0.346952 -0.559980 2.724620
|
|
959 959 1 -0.000000 32.041000 18.379430 14.258780 1.160017 -1.980570 0.698480 10.499691
|
|
960 960 1 -0.000000 32.041000 18.496083 9.496107 2.869217 -0.534210 -8.366900 -1.885063
|
|
961 961 1 -0.000000 32.041000 16.530824 12.186712 3.753703 2.348420 8.096350 -4.107264
|
|
962 962 1 -0.000000 32.041000 11.130878 10.727019 7.631467 2.631430 1.853310 -1.860510
|
|
963 963 1 0.000000 32.041000 12.256182 16.523776 9.555529 -4.676780 -4.404060 -1.937180
|
|
964 964 1 -0.000000 32.041000 12.444058 13.826369 5.027392 -5.632250 3.405430 3.202180
|
|
965 965 1 -0.000000 32.041000 15.031200 9.081917 7.145472 -4.249240 -2.725957 -2.291682
|
|
966 966 1 -0.000000 32.041000 11.952051 18.471556 2.394747 -4.458730 0.442080 1.344274
|
|
967 967 1 -0.000000 32.041000 17.544846 12.963545 7.961466 3.814160 -7.365986 7.249010
|
|
968 968 1 -0.000000 32.041000 16.714107 17.610731 7.866330 -0.249590 -1.442130 -7.015000
|
|
969 969 1 -0.000000 32.041000 18.372704 15.192707 5.766961 -2.949420 12.348094 -2.403130
|
|
970 970 1 -0.000000 32.041000 14.226634 16.237802 3.142168 -0.928556 0.505350 4.777570
|
|
971 971 1 -0.000000 32.041000 0.756304 10.008951 11.384996 -4.364280 0.211730 -2.746420
|
|
972 972 1 -0.000000 32.041000 8.240360 12.245604 10.577289 -0.422410 7.747410 -4.524091
|
|
973 973 1 -0.000000 32.041000 2.590991 10.678316 17.321583 1.571923 -0.428326 3.837590
|
|
974 974 1 -0.000000 32.041000 2.758605 18.361028 11.914308 -8.462040 5.006820 0.341790
|
|
975 975 1 -0.000000 32.041000 6.942711 17.814975 15.302816 1.433220 0.378680 -7.074710
|
|
976 976 1 -0.000000 32.041000 16.718662 10.587707 12.061738 6.488780 -1.167680 -1.129210
|
|
977 977 1 -0.000000 32.041000 3.629728 12.023407 12.787180 1.968310 3.958870 -4.868501
|
|
978 978 1 -0.000000 32.041000 3.800851 17.039033 14.953510 6.608940 -2.047259 1.862030
|
|
979 979 1 -0.000000 32.041000 5.992703 9.591472 15.204294 5.427680 0.092610 -1.389660
|
|
980 980 1 -0.000000 32.041000 6.541896 9.730898 11.712710 -4.420920 -5.720730 3.234146
|
|
981 981 1 -0.000000 32.041000 4.867864 19.311983 19.373632 -9.688570 4.485930 2.196700
|
|
982 982 1 -0.000000 32.041000 9.926055 9.707520 19.452482 0.821690 0.796106 -3.965490
|
|
983 983 1 -0.000000 32.041000 5.710365 13.578482 18.407413 -9.785920 -1.847600 1.305520
|
|
984 984 1 -0.000000 32.041000 16.612669 15.269744 11.434475 1.460775 4.402330 -2.123660
|
|
985 985 1 -0.000000 32.041000 6.694929 15.564598 12.426269 1.163272 -2.342677 3.288410
|
|
986 986 1 -0.000000 32.041000 10.265763 19.206456 14.458317 -3.222090 1.490160 -2.343760
|
|
987 987 1 -0.000000 32.041000 9.907953 9.532580 16.165766 -1.122520 0.029830 -0.610870
|
|
988 988 1 -0.000000 32.041000 11.367854 7.919519 13.685425 -3.615390 -2.034920 3.872520
|
|
989 989 1 0.000000 32.041000 9.988725 14.131755 16.697319 -1.622130 -5.441670 -10.565870
|
|
990 990 1 -0.000000 32.041000 14.890821 18.552326 19.204185 10.429585 27.937380 13.987970
|
|
991 991 1 -0.000000 32.041000 11.283809 13.376949 13.743258 -0.572520 3.122370 -1.095520
|
|
992 992 1 -0.000000 32.041000 13.428941 18.556749 11.824186 9.079013 -0.052780 -2.653380
|
|
993 993 1 0.000000 32.041000 19.415857 18.490251 11.443400 -5.777550 -0.037130 0.078980
|
|
994 994 1 0.000000 32.041000 13.173200 16.691013 17.101206 -18.160320 -26.495279 -7.856000
|
|
995 995 1 -0.000000 32.041000 19.412919 11.572940 14.152164 -2.692351 2.171250 -3.334920
|
|
996 996 1 -0.000000 32.041000 17.228466 10.351370 19.088116 1.448140 -0.287870 -3.690380
|
|
997 997 1 0.000000 32.041000 13.975969 10.669927 17.580920 -2.112197 -0.978480 0.588100
|
|
998 998 1 0.000000 32.041000 16.064502 16.587342 16.034712 3.499740 0.959187 -6.209955
|
|
999 999 1 -0.000000 32.041000 18.198250 17.227147 18.499608 3.298990 0.729440 2.071940
|
|
1000 1000 1 -0.000000 32.041000 14.319924 12.614036 14.876474 -3.013983 1.472791 6.887610
|
|
ITEM: TIMESTEP
|
|
2750
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -16.099807 -10.602938 -17.012094 2.212690 -1.460510 -0.771990
|
|
2 2 1 -0.000000 32.041000 -14.501696 -9.251192 -14.659737 3.234457 2.990420 -3.683750
|
|
3 3 1 -0.000000 32.041000 -0.622909 -13.734157 -17.991393 3.722800 -1.786510 0.044089
|
|
4 4 1 -0.000000 32.041000 -11.415296 -8.814154 -18.691794 -1.690860 -1.623570 6.826947
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977 977 1 -0.000000 32.041000 1.983329 18.098300 12.600667 1.440820 0.793320 -1.351817
|
|
978 978 1 -0.000000 32.041000 6.996081 18.102326 15.621220 -5.215060 -13.107585 11.780756
|
|
979 979 1 -0.000000 32.041000 16.851528 10.306471 11.631336 -0.291040 2.354000 -3.146347
|
|
980 980 1 -0.000000 32.041000 3.482397 13.612681 12.453609 -2.828110 -3.361970 -3.577100
|
|
981 981 1 -0.000000 32.041000 3.635054 16.720140 15.588464 -2.174500 0.784330 -3.596650
|
|
982 982 1 -0.000000 32.041000 5.270873 9.591294 15.055362 -3.784470 3.236510 -5.767680
|
|
983 983 1 -0.000000 32.041000 3.755498 18.774344 19.503284 0.252020 -2.088020 -0.032720
|
|
984 984 1 -0.000000 32.041000 9.709745 9.403159 18.850029 -0.451570 1.207903 -7.461570
|
|
985 985 1 -0.000000 32.041000 6.573798 13.255233 19.999239 -14.270335 1.809580 -8.683210
|
|
986 986 1 -0.000000 32.041000 18.030840 16.048288 12.236011 -11.884650 -8.139660 8.545630
|
|
987 987 1 0.000000 32.041000 1.293726 13.555133 19.445133 -1.799047 -3.807270 -1.853699
|
|
988 988 1 -0.000000 32.041000 7.084396 15.823053 12.902848 3.575050 0.488500 -4.764338
|
|
989 989 1 -0.000000 32.041000 10.520581 19.475822 13.468499 -2.375800 0.260152 8.699060
|
|
990 990 1 -0.000000 32.041000 14.113697 10.372975 17.395413 -6.213270 3.045210 1.090660
|
|
991 991 1 -0.000000 32.041000 9.936779 9.227503 15.464217 2.467760 0.499000 5.193710
|
|
992 992 1 -0.000000 32.041000 11.217525 13.924544 19.180525 14.562550 -10.317590 -2.945232
|
|
993 993 1 -0.000000 32.041000 14.282611 12.538045 14.811861 -2.710470 -0.415100 -6.300010
|
|
994 994 1 0.000000 32.041000 8.560800 14.022591 15.780398 -0.449660 -0.745910 8.404140
|
|
995 995 1 -0.000000 32.041000 10.906883 13.764096 13.398883 7.408710 -2.398007 -2.170468
|
|
996 996 1 0.000000 32.041000 12.919527 16.566954 16.281076 4.513400 2.650450 -2.529604
|
|
997 997 1 0.000000 32.041000 16.350168 17.978633 15.363337 -2.371427 1.735390 4.874320
|
|
998 998 1 -0.000000 32.041000 14.003030 18.588030 10.935930 0.991440 0.997650 0.358830
|
|
999 999 1 -0.000000 32.041000 18.214851 11.654168 14.156181 3.726570 0.670951 1.016700
|
|
1000 1000 1 -0.000000 32.041000 17.974414 17.019862 18.587885 0.757910 1.601210 -3.143290
|
|
ITEM: TIMESTEP
|
|
3000
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -15.494614 -11.223332 -16.931555 -2.379910 0.294504 -0.384380
|
|
2 2 1 -0.000000 32.041000 -14.113042 -9.091643 -14.799862 1.539260 4.694470 -3.463890
|
|
3 3 1 -0.000000 32.041000 -1.244577 -13.722175 -18.087612 5.023050 -0.674861 -1.507930
|
|
4 4 1 -0.000000 32.041000 -11.658697 -9.668927 -18.470015 3.638880 1.473110 -0.530700
|
|
5 5 1 -0.000000 32.041000 -16.515427 -12.703792 -12.459707 2.213050 1.839610 -1.938430
|
|
6 6 1 -0.000000 32.041000 -19.641986 -13.202555 -13.423009 -6.245710 -0.636873 -1.760576
|
|
7 7 1 -0.000000 32.041000 -15.103559 -15.491419 -16.480536 7.239150 4.367860 5.192830
|
|
8 8 1 -0.000000 32.041000 -12.826524 -17.820105 -13.665605 5.339191 6.265413 6.317436
|
|
9 9 1 -0.000000 32.041000 -18.824461 19.930132 -13.238110 -8.037830 -3.973960 2.010170
|
|
10 10 1 -0.000000 32.041000 -11.630979 -12.255303 -14.632281 8.300850 -3.774310 -6.457290
|
|
11 11 1 0.000000 32.041000 -20.067854 -16.462998 -13.018110 -4.981900 3.734645 10.619683
|
|
12 12 1 -0.000000 32.041000 -10.663128 -8.063646 -14.985924 -8.614800 -10.528240 5.389162
|
|
13 13 1 -0.000000 32.041000 -16.144148 -17.686723 -13.204384 -3.614000 7.903290 -5.948250
|
|
14 14 1 -0.000000 32.041000 -14.801900 -20.614159 -18.793031 -2.960576 -2.802540 2.437876
|
|
15 15 1 -0.000000 32.041000 -16.103499 -17.524527 -18.831169 -3.956949 0.048970 -10.505400
|
|
16 16 1 -0.000000 32.041000 0.560837 -16.617263 19.993436 4.249250 -0.521054 -0.144788
|
|
17 17 1 -0.000000 32.041000 -19.884731 -7.807271 -16.836472 -1.012960 -1.065630 4.973459
|
|
18 18 1 -0.000000 32.041000 -13.890882 -5.834483 -18.089088 -5.315400 0.490090 2.659141
|
|
19 19 1 -0.000000 32.041000 -18.209696 -14.810563 20.621455 1.978048 3.706110 3.382830
|
|
20 20 1 -0.000000 32.041000 -14.947889 -11.332688 -20.234507 -1.459160 2.420489 4.259870
|
|
21 21 1 -0.000000 32.041000 -20.456250 -11.444786 -17.713536 3.577318 -8.151030 2.362410
|
|
22 22 1 -0.000000 32.041000 -1.981282 -19.712663 -12.264240 5.294230 1.934280 -3.386480
|
|
23 23 1 -0.000000 32.041000 -8.118714 -18.640459 -19.204796 3.048200 3.868900 9.349780
|
|
24 24 1 -0.000000 32.041000 -16.207358 -10.505978 -10.021338 0.042490 -3.007160 3.088960
|
|
25 25 1 -0.000000 32.041000 -12.318002 -10.919794 -11.497787 -1.104460 9.286750 2.083310
|
|
26 26 1 -0.000000 32.041000 -1.872845 -7.260726 -16.027152 -9.984190 10.329570 -5.905670
|
|
27 27 1 -0.000000 32.041000 -19.520676 -9.761809 -20.247048 -0.978563 -6.033970 1.415010
|
|
28 28 1 -0.000000 32.041000 -10.689454 20.596487 -16.148579 1.679684 3.761005 -3.637130
|
|
29 29 1 -0.000000 32.041000 -11.867391 -15.938018 -17.621813 -9.448300 -1.838880 -1.144060
|
|
30 30 1 -0.000000 32.041000 -20.109537 -17.124538 -16.427810 11.961981 -12.299441 -3.864360
|
|
31 31 1 -0.000000 32.041000 -12.667942 -18.237708 19.002765 -1.606200 1.897510 1.553460
|
|
32 32 1 0.000000 32.041000 -8.586480 -11.251409 -15.864666 -0.873770 -2.637840 2.857110
|
|
33 33 1 -0.000000 32.041000 -11.567872 -17.020310 -10.880908 -0.955836 -5.383150 -0.264967
|
|
34 34 1 -0.000000 32.041000 -11.492531 19.701034 -13.180915 0.788860 -11.874100 8.468980
|
|
35 35 1 -0.000000 32.041000 -19.411005 20.689188 -19.749782 -0.610340 -3.203713 -2.065581
|
|
36 36 1 -0.000000 32.041000 -9.028818 -19.295503 -11.052378 -4.954520 -0.298238 -2.932250
|
|
37 37 1 -0.000000 32.041000 -17.972462 -7.316085 -12.188391 1.348160 4.391240 -0.748180
|
|
38 38 1 -0.000000 32.041000 -1.972383 -18.343788 -16.633385 1.617490 -2.972490 2.329840
|
|
39 39 1 -0.000000 32.041000 0.770366 -7.862908 -18.908639 -4.387360 -0.095790 1.853640
|
|
40 40 1 -0.000000 32.041000 -7.092309 -15.498291 -10.595375 3.855740 -6.626860 -0.842409
|
|
41 41 1 -0.000000 32.041000 -7.792394 -9.899904 -11.095959 2.420010 4.822855 -2.621498
|
|
42 42 1 -0.000000 32.041000 -2.903458 -10.702787 20.618548 1.456770 -3.373320 3.096730
|
|
43 43 1 -0.000000 32.041000 -9.371450 -13.479723 -11.034554 -5.447650 4.682510 2.648530
|
|
44 44 1 -0.000000 32.041000 -2.223339 -10.567483 -15.808520 10.283070 -12.522542 2.585640
|
|
45 45 1 0.000000 32.041000 -2.879584 -16.200966 -14.074691 -1.152230 2.161520 -2.641166
|
|
46 46 1 -0.000000 32.041000 -4.340842 -6.869549 -18.671738 10.064570 5.893380 9.432310
|
|
47 47 1 -0.000000 32.041000 20.468655 -9.136888 -9.628433 3.650110 -2.432312 -4.538286
|
|
48 48 1 -0.000000 32.041000 -4.219324 -12.833568 -11.508990 -0.353148 1.919857 -1.539752
|
|
49 49 1 -0.000000 32.041000 -6.789673 -13.865622 -19.106422 -2.439603 -0.937630 0.426035
|
|
50 50 1 -0.000000 32.041000 -2.109382 -9.209344 -11.566827 0.913550 2.970380 0.060300
|
|
51 51 1 -0.000000 32.041000 -5.944622 -17.609447 -14.356757 -2.449021 -0.205260 -0.786890
|
|
52 52 1 -0.000000 32.041000 -5.905414 -9.110639 -19.916939 -9.955570 -9.451540 9.337220
|
|
53 53 1 -0.000000 32.041000 -4.516048 -17.069374 -20.138348 3.087643 -0.697090 -2.463600
|
|
54 54 1 -0.000000 32.041000 -8.441005 -15.612862 -16.022183 7.408080 2.660147 1.385400
|
|
55 55 1 0.000000 32.041000 -19.730328 -18.824302 -9.558636 3.923060 3.639717 -9.483458
|
|
56 56 1 -0.000000 32.041000 -5.652397 -10.125761 -14.944374 -5.927770 1.000130 3.670113
|
|
57 57 1 -0.000000 32.041000 -3.948456 -20.089928 19.602078 -11.519415 5.701998 3.438600
|
|
58 58 1 0.000000 32.041000 -0.110636 -17.182205 -9.416807 10.431550 0.194190 -7.278707
|
|
59 59 1 0.000000 32.041000 -15.031935 -16.073213 -6.849603 3.075980 -0.185590 2.240320
|
|
60 60 1 -0.000000 32.041000 -12.586140 -13.020034 -9.264227 3.308030 -7.077620 4.518492
|
|
61 61 1 -0.000000 32.041000 -17.435369 -16.265661 -2.969081 -5.239308 5.240840 -4.936665
|
|
62 62 1 -0.000000 32.041000 -15.368980 -11.182760 -1.578677 4.175910 -5.057760 -0.987900
|
|
63 63 1 -0.000000 32.041000 -10.238535 -7.024957 -8.321222 1.933787 -8.050110 -9.566950
|
|
64 64 1 -0.000000 32.041000 -13.919912 -9.651768 -5.704331 1.263050 7.689088 -1.928270
|
|
65 65 1 0.000000 32.041000 -16.482009 -11.421003 -6.529396 -0.644790 0.223160 -3.852830
|
|
66 66 1 -0.000000 32.041000 -12.047585 -15.351522 -4.412921 -7.692670 -3.453380 -6.613619
|
|
67 67 1 -0.000000 32.041000 -14.601029 -17.748350 -3.322028 3.376039 0.277210 7.306610
|
|
68 68 1 -0.000000 32.041000 -17.967491 -14.092795 -9.088430 -0.079150 6.424657 -2.922140
|
|
69 69 1 0.000000 32.041000 -11.830252 -11.744995 -2.244854 -4.355300 6.779620 2.061000
|
|
70 70 1 -0.000000 32.041000 -0.438229 -19.726437 -3.481295 0.314909 0.041360 -1.997570
|
|
71 71 1 -0.000000 32.041000 -16.704592 -6.078747 -3.307696 0.801210 -8.209530 5.823433
|
|
72 72 1 -0.000000 32.041000 -19.605522 -11.327975 -2.629866 1.024867 -5.471530 3.878680
|
|
73 73 1 -0.000000 32.041000 -20.415325 -12.086354 -7.682601 -5.457245 -8.035724 -0.040920
|
|
74 74 1 -0.000000 32.041000 -14.851187 -6.620669 -7.728535 2.601310 -8.479388 -0.511980
|
|
75 75 1 0.000000 32.041000 -6.176506 -19.479792 -9.210537 -10.238900 4.259580 6.624258
|
|
76 76 1 0.000000 32.041000 -13.996603 -20.652579 -6.694176 -3.493270 -0.104924 -2.701360
|
|
77 77 1 0.000000 32.041000 -18.317029 -6.846043 -6.944794 -7.065560 6.590770 -0.772970
|
|
78 78 1 -0.000000 32.041000 -10.628236 -17.338532 -7.425439 -1.350712 4.510243 4.628960
|
|
79 79 1 -0.000000 32.041000 -19.286317 -7.921594 -1.815948 -1.504490 4.645110 -2.529487
|
|
80 80 1 -0.000000 32.041000 -8.622730 19.535774 -1.091813 -6.660854 -13.429290 5.698806
|
|
81 81 1 -0.000000 32.041000 -12.131485 -15.677486 -0.231915 -7.591940 -3.183310 3.800133
|
|
82 82 1 -0.000000 32.041000 -19.828100 -16.035221 -5.419852 0.384585 -0.479287 3.807057
|
|
83 83 1 -0.000000 32.041000 -14.372435 -7.933570 -1.989218 1.416740 6.370151 -4.897080
|
|
84 84 1 0.000000 32.041000 0.589906 -15.238006 -1.854570 1.901730 1.975200 -0.256300
|
|
85 85 1 -0.000000 32.041000 -18.597118 -20.241900 -1.013156 -0.826220 4.189300 -0.535250
|
|
86 86 1 -0.000000 32.041000 -17.040238 -20.269015 -5.223075 -1.462215 -2.007750 -0.505040
|
|
87 87 1 -0.000000 32.041000 -1.636280 -10.881522 -8.596196 3.305172 4.015537 1.256310
|
|
88 88 1 -0.000000 32.041000 -10.316023 -11.940233 -6.891315 -7.759750 10.458260 -6.298540
|
|
89 89 1 -0.000000 32.041000 -7.733767 -15.586522 -1.054715 5.339577 -0.501360 0.136310
|
|
90 90 1 -0.000000 32.041000 -6.187402 -7.732526 -8.281583 -2.468830 -1.333460 1.320460
|
|
91 91 1 -0.000000 32.041000 -7.940575 -12.346021 -1.876743 3.640211 -1.409709 -0.831566
|
|
92 92 1 -0.000000 32.041000 -4.596265 -12.395768 -0.899182 -4.497080 -2.595170 3.203370
|
|
93 93 1 -0.000000 32.041000 -2.948632 -8.719129 -1.295386 -1.151350 1.192730 -0.974880
|
|
94 94 1 -0.000000 32.041000 -1.755692 -19.300456 0.912897 3.082800 0.640609 2.893047
|
|
95 95 1 -0.000000 32.041000 -0.204154 -7.322286 -3.029235 1.534570 0.192400 0.159200
|
|
96 96 1 -0.000000 32.041000 -5.194345 -11.435267 -8.680773 -2.355440 -3.606141 2.099470
|
|
97 97 1 -0.000000 32.041000 -11.861803 -6.243985 -5.374832 1.398720 5.415060 17.352320
|
|
98 98 1 0.000000 32.041000 -7.282719 -18.774082 -5.110480 6.198100 -4.621960 3.433670
|
|
99 99 1 -0.000000 32.041000 -7.341338 -14.348924 -5.590342 11.544520 -9.905220 4.092541
|
|
100 100 1 -0.000000 32.041000 -8.234217 -9.283238 -6.110310 -1.451400 2.562430 -5.990340
|
|
101 101 1 0.000000 32.041000 -2.995171 -16.491665 -3.716916 -4.317460 6.555940 10.515520
|
|
102 102 1 -0.000000 32.041000 -2.959007 -16.212435 -7.084119 -9.217790 -0.664360 -4.444290
|
|
103 103 1 -0.000000 32.041000 -10.604730 -19.229707 -3.985838 0.400158 -2.836850 -0.304140
|
|
104 104 1 -0.000000 32.041000 -3.922246 -12.962574 -4.175869 2.133880 -1.120860 -5.657197
|
|
105 105 1 -0.000000 32.041000 0.278362 -9.766734 -6.182680 -0.668150 -2.056511 -3.320240
|
|
106 106 1 0.000000 32.041000 -9.425235 -7.349656 -2.913680 -4.951727 0.080610 -0.380170
|
|
107 107 1 -0.000000 32.041000 -5.304172 -16.200016 0.901694 -5.214824 5.088180 -3.764226
|
|
108 108 1 -0.000000 32.041000 -13.856829 -6.791351 1.254094 -0.133615 -4.133781 4.983910
|
|
109 109 1 -0.000000 32.041000 -1.696176 -19.618551 -6.917970 -1.036932 1.157739 5.529920
|
|
110 110 1 -0.000000 32.041000 -16.332910 -14.690123 0.901281 3.597383 -1.961859 -3.136809
|
|
111 111 1 0.000000 32.041000 -11.604688 -18.947064 0.732813 3.754180 2.556600 -0.639550
|
|
112 112 1 -0.000000 32.041000 -0.861833 -13.459489 0.279849 -0.272060 -9.896156 -10.850380
|
|
113 113 1 -0.000000 32.041000 -19.129427 -12.814799 0.544247 -0.457550 2.663580 -1.459527
|
|
114 114 1 -0.000000 32.041000 -17.626779 -17.795469 5.364033 7.214830 -8.988240 10.232460
|
|
115 115 1 -0.000000 32.041000 -14.105385 -18.908463 6.005552 -9.825294 -2.084940 7.733580
|
|
116 116 1 -0.000000 32.041000 -0.012923 -14.003239 7.895311 0.820360 -4.713860 2.130800
|
|
117 117 1 -0.000000 32.041000 -15.592489 -17.607882 2.342996 -1.933450 6.751851 -9.249114
|
|
118 118 1 -0.000000 32.041000 -18.973204 -19.642416 8.722122 -0.775387 2.237650 2.913360
|
|
119 119 1 -0.000000 32.041000 -13.338816 -14.027309 4.553269 -1.003349 -0.862530 1.584452
|
|
120 120 1 -0.000000 32.041000 -13.694542 -7.969884 4.994216 4.083413 1.303400 4.414410
|
|
121 121 1 -0.000000 32.041000 -1.588150 -19.608195 4.857230 4.404931 0.053170 6.043697
|
|
122 122 1 0.000000 32.041000 -16.436554 -9.404613 1.147716 3.081296 2.287700 1.736520
|
|
123 123 1 -0.000000 32.041000 -13.603251 -11.664812 6.966567 5.009850 9.380120 -8.173570
|
|
124 124 1 -0.000000 32.041000 -14.720783 -15.486755 7.126308 1.871770 -3.401840 -0.047702
|
|
125 125 1 -0.000000 32.041000 19.951230 -15.586555 7.092812 -4.156340 11.220525 -0.427690
|
|
126 126 1 -0.000000 32.041000 -17.014795 -10.712555 9.269796 0.993900 -0.926720 -1.757805
|
|
127 127 1 -0.000000 32.041000 -16.458752 -11.327966 5.769289 -10.515740 -7.477260 -0.669860
|
|
128 128 1 -0.000000 32.041000 -20.579793 -7.927498 2.383094 -0.900135 -5.427930 0.939290
|
|
129 129 1 -0.000000 32.041000 -17.939991 -6.925393 4.368993 0.329410 -4.538690 -12.568050
|
|
130 130 1 -0.000000 32.041000 -12.230794 -9.605475 2.321442 -2.035150 -2.756883 -8.160780
|
|
131 131 1 -0.000000 32.041000 -12.021068 -18.072131 3.794608 1.557510 5.544690 -3.647514
|
|
132 132 1 -0.000000 32.041000 -18.690425 -14.622767 9.618226 2.808830 4.725560 -2.354990
|
|
133 133 1 -0.000000 32.041000 -8.533365 -6.708339 1.904421 7.284883 -0.843234 -8.812410
|
|
134 134 1 -0.000000 32.041000 -17.352325 -7.051734 7.297112 8.278180 -11.815370 -10.075817
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948 948 1 -0.000000 32.041000 7.717246 10.163251 3.178994 -2.422090 -1.808100 1.250480
|
|
949 949 1 -0.000000 32.041000 7.138119 9.032234 7.513895 -0.591183 -0.875066 1.570502
|
|
950 950 1 -0.000000 32.041000 4.459329 14.171503 7.960745 1.712550 -3.450107 4.475360
|
|
951 951 1 -0.000000 32.041000 3.736493 8.809831 7.285225 2.381159 1.173920 0.291740
|
|
952 952 1 -0.000000 32.041000 6.948936 15.531917 5.187385 -4.955223 6.039220 5.287610
|
|
953 953 1 -0.000000 32.041000 2.368302 10.677019 3.033903 -1.642194 3.690624 -5.762670
|
|
954 954 1 -0.000000 32.041000 5.814539 13.173692 2.809498 3.872780 1.976540 -3.030941
|
|
955 955 1 -0.000000 32.041000 4.209293 17.184748 3.952506 -1.298704 2.579190 -10.413820
|
|
956 956 1 -0.000000 32.041000 2.838580 19.045171 5.857597 -2.852530 5.439074 4.347256
|
|
957 957 1 -0.000000 32.041000 19.076540 19.646737 1.467229 0.027816 -1.671200 -6.997780
|
|
958 958 1 -0.000000 32.041000 9.175696 15.833214 10.512698 6.756658 -6.541780 -3.046130
|
|
959 959 1 -0.000000 32.041000 6.109944 18.341275 8.521168 -4.813870 1.477940 -5.557644
|
|
960 960 1 -0.000000 32.041000 9.386136 18.365399 7.522041 5.378210 6.211210 -0.580823
|
|
961 961 1 -0.000000 32.041000 7.484592 18.151145 1.634578 7.730259 3.296390 -2.232722
|
|
962 962 1 -0.000000 32.041000 18.856785 11.751941 8.994779 -6.186930 2.749600 5.369160
|
|
963 963 1 -0.000000 32.041000 12.840709 11.554725 3.862105 1.162960 -2.365940 0.246110
|
|
964 964 1 0.000000 32.041000 12.514826 15.550690 10.295052 -3.747400 1.993330 0.419950
|
|
965 965 1 -0.000000 32.041000 18.024005 9.922812 2.514218 0.125910 1.483360 -8.116430
|
|
966 966 1 -0.000000 32.041000 16.795311 13.188002 2.518079 -0.181870 0.602940 0.798742
|
|
967 967 1 -0.000000 32.041000 10.990518 11.039040 6.794794 0.594007 1.849476 -2.626370
|
|
968 968 1 -0.000000 32.041000 14.040806 18.465161 6.896354 -2.872320 2.319800 -1.517190
|
|
969 969 1 -0.000000 32.041000 10.526127 14.062943 4.103615 7.368604 -0.097030 0.529950
|
|
970 970 1 -0.000000 32.041000 13.837112 18.850149 10.778899 1.045347 0.201024 3.632468
|
|
971 971 1 -0.000000 32.041000 14.733781 9.490261 7.391410 -2.219859 -1.983609 -1.320173
|
|
972 972 1 -0.000000 32.041000 11.040174 19.243918 2.638819 -2.405910 -7.366000 0.064010
|
|
973 973 1 -0.000000 32.041000 16.476290 13.425510 7.438387 -1.721870 0.262760 1.052970
|
|
974 974 1 -0.000000 32.041000 17.033629 17.172022 8.490669 4.234182 -0.740072 -6.791320
|
|
975 975 1 -0.000000 32.041000 18.068903 15.683280 5.646329 -0.656320 0.258774 3.643950
|
|
976 976 1 -0.000000 32.041000 13.079055 16.242635 3.514955 -3.768930 0.339620 0.105400
|
|
977 977 1 -0.000000 32.041000 9.077240 11.567469 11.312860 -5.749350 -0.680070 2.068310
|
|
978 978 1 -0.000000 32.041000 2.243677 9.347825 17.356139 2.406350 -1.183950 0.456048
|
|
979 979 1 -0.000000 32.041000 1.923139 18.620756 13.551238 1.033896 3.036895 -1.147330
|
|
980 980 1 -0.000000 32.041000 6.690084 17.751069 15.671954 -2.933098 4.571370 -1.238990
|
|
981 981 1 -0.000000 32.041000 16.998759 10.555773 11.985377 2.007840 -1.802260 -9.132890
|
|
982 982 1 -0.000000 32.041000 3.719640 13.856888 11.819484 1.574480 -1.004160 -1.025300
|
|
983 983 1 -0.000000 32.041000 3.502306 16.563805 15.802057 1.522980 1.330530 0.610554
|
|
984 984 1 -0.000000 32.041000 5.589287 9.679278 15.561876 3.934710 -5.324340 -2.860380
|
|
985 985 1 -0.000000 32.041000 5.669975 10.755623 11.993781 2.663956 2.547580 -1.257606
|
|
986 986 1 -0.000000 32.041000 3.320571 18.901141 19.503907 1.057220 3.875768 -0.947409
|
|
987 987 1 -0.000000 32.041000 8.938544 9.049968 18.511681 2.856283 4.992510 -1.866060
|
|
988 988 1 -0.000000 32.041000 17.446126 15.427499 12.341834 3.383820 -0.395700 1.264420
|
|
989 989 1 -0.000000 32.041000 7.446985 15.863255 12.997795 -5.386800 -1.556440 2.646840
|
|
990 990 1 -0.000000 32.041000 14.079330 10.847800 17.116513 5.359600 -3.278520 0.438410
|
|
991 991 1 -0.000000 32.041000 10.015180 9.507134 14.884666 -0.675990 5.470830 5.088690
|
|
992 992 1 -0.000000 32.041000 11.376385 13.095771 18.488792 -4.582990 4.772160 5.665493
|
|
993 993 1 -0.000000 32.041000 14.232251 12.837236 14.556303 -3.146100 -0.666430 5.921400
|
|
994 994 1 0.000000 32.041000 8.188888 14.216213 16.805967 -3.942860 -1.957335 -5.822740
|
|
995 995 1 -0.000000 32.041000 12.495289 16.882966 18.889774 7.270897 6.080350 -2.034809
|
|
996 996 1 -0.000000 32.041000 11.131738 13.925786 14.240681 1.116161 0.640070 -8.636733
|
|
997 997 1 0.000000 32.041000 14.060437 17.287264 15.872854 -6.299350 -4.902280 2.509430
|
|
998 998 1 -0.000000 32.041000 18.590772 11.785520 14.451317 5.010230 1.288812 3.059460
|
|
999 999 1 -0.000000 32.041000 16.676261 10.325023 19.087839 0.488950 0.126110 -1.769067
|
|
1000 1000 1 -0.000000 32.041000 18.179068 16.746766 18.637343 -0.885220 2.181260 5.464666
|
|
ITEM: TIMESTEP
|
|
3250
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -15.423035 -11.261067 -16.350665 -2.138928 1.054420 -3.377830
|
|
2 2 1 -0.000000 32.041000 -14.012172 -8.300001 -15.465724 -2.114490 0.539920 2.140220
|
|
3 3 1 -0.000000 32.041000 -11.071354 -10.058842 -18.445632 -4.446350 2.776390 -3.303270
|
|
4 4 1 -0.000000 32.041000 -16.221075 -12.405510 -12.720351 4.461950 -1.251346 3.176660
|
|
5 5 1 -0.000000 32.041000 -19.562156 -12.743905 -12.715618 -3.116869 -2.046893 -4.760400
|
|
6 6 1 -0.000000 32.041000 -14.939480 -15.639242 -16.464354 -4.233127 0.231170 3.258980
|
|
7 7 1 -0.000000 32.041000 -12.557081 -17.990359 -12.948638 2.035950 1.118970 -6.047661
|
|
8 8 1 -0.000000 32.041000 -11.579156 -12.616073 -14.485030 -7.055520 4.070169 2.217411
|
|
9 9 1 0.000000 32.041000 -20.128882 -15.919428 -13.567397 -4.999920 5.271650 5.325710
|
|
10 10 1 -0.000000 32.041000 -10.993599 -7.223275 -14.611564 7.140142 3.691770 -9.821680
|
|
11 11 1 -0.000000 32.041000 -15.833461 -17.945295 -12.698736 -1.296660 0.810902 -0.186670
|
|
12 12 1 -0.000000 32.041000 -15.579660 -17.508902 -19.257772 -8.453220 6.831010 8.196500
|
|
13 13 1 -0.000000 32.041000 -18.212849 -14.469551 20.588634 1.619080 -1.152140 -2.044550
|
|
14 14 1 -0.000000 32.041000 -19.336791 -7.146156 -16.953231 -2.554516 -1.717472 1.686740
|
|
15 15 1 -0.000000 32.041000 -14.971167 -10.992843 -20.059622 1.920370 1.988560 0.287148
|
|
16 16 1 -0.000000 32.041000 20.620073 -11.504544 -17.190103 3.887499 3.263190 -0.617800
|
|
17 17 1 -0.000000 32.041000 -16.120076 -9.801979 -9.946666 -2.121200 -5.378400 2.165440
|
|
18 18 1 0.000000 32.041000 -12.289012 20.123168 -16.671607 5.288506 -3.032240 0.503990
|
|
19 19 1 -0.000000 32.041000 -12.570667 -9.705650 -11.503134 -8.180004 -9.722940 4.282900
|
|
20 20 1 -0.000000 32.041000 -19.563713 -9.784360 -19.878365 0.998441 0.986500 -0.325153
|
|
21 21 1 -0.000000 32.041000 -3.690116 -11.416647 -19.907273 19.446788 8.565730 -17.685640
|
|
22 22 1 -0.000000 32.041000 -12.211844 -16.262532 -18.309335 6.340420 5.289851 4.593440
|
|
23 23 1 -0.000000 32.041000 -15.573110 20.553720 -18.798151 2.374140 -9.476590 -4.578969
|
|
24 24 1 -0.000000 32.041000 -19.522568 -16.892742 -16.506154 -1.966129 -0.039300 -5.296230
|
|
25 25 1 0.000000 32.041000 -18.488457 -7.455572 -12.348010 0.708830 6.655566 -1.993000
|
|
26 26 1 -0.000000 32.041000 20.125331 -19.738215 -12.121456 3.763490 -2.513187 -1.975560
|
|
27 27 1 -0.000000 32.041000 -18.378733 20.108454 -13.991814 -5.093250 6.137550 3.115730
|
|
28 28 1 -0.000000 32.041000 -0.412325 -19.239506 20.233684 -2.771590 7.109003 -0.980430
|
|
29 29 1 -0.000000 32.041000 -20.684785 -9.882124 -10.014373 -5.000970 2.582150 2.405810
|
|
30 30 1 -0.000000 32.041000 -3.833714 -19.783952 -20.615106 1.078740 0.937260 -4.284530
|
|
31 31 1 0.000000 32.041000 -11.334496 -7.966577 19.621292 2.781110 -16.476480 -0.136060
|
|
32 32 1 -0.000000 32.041000 -20.045431 19.730516 -20.544227 0.541103 0.623840 1.392440
|
|
33 33 1 -0.000000 32.041000 -11.113102 -17.110322 -10.393334 5.098460 -4.488200 6.020010
|
|
34 34 1 -0.000000 32.041000 -9.386464 -13.348442 20.537399 -0.176672 3.454365 -9.546472
|
|
35 35 1 -0.000000 32.041000 -9.112726 -13.175231 -11.232795 10.040310 3.926320 0.487062
|
|
36 36 1 -0.000000 32.041000 -13.760714 -5.850850 -18.715849 0.714110 2.838340 -0.125410
|
|
37 37 1 -0.000000 32.041000 -5.221362 -18.737428 -9.685585 3.438790 -7.893014 -0.980505
|
|
38 38 1 -0.000000 32.041000 -0.951810 -14.134058 -18.267987 2.161554 -2.003800 0.956500
|
|
39 39 1 0.000000 32.041000 -7.599726 -8.820112 -11.308019 -0.522834 0.364190 3.429686
|
|
40 40 1 -0.000000 32.041000 -2.381807 -8.899042 -11.518824 1.695899 1.339870 -0.350045
|
|
41 41 1 -0.000000 32.041000 -8.215303 -18.010400 -18.755908 1.409860 0.161180 11.109620
|
|
42 42 1 -0.000000 32.041000 -2.758108 -7.394221 -15.683828 9.790740 -1.946470 -4.536728
|
|
43 43 1 0.000000 32.041000 -8.856907 -11.359606 -15.472504 9.066000 -0.791100 1.890630
|
|
44 44 1 -0.000000 32.041000 -8.210239 -19.644320 -10.414878 -8.689980 9.786560 -0.256590
|
|
45 45 1 -0.000000 32.041000 -1.870883 -18.733258 -16.787855 3.940850 -2.159310 1.759260
|
|
46 46 1 -0.000000 32.041000 0.949332 -8.348725 -18.859102 2.305150 5.771878 3.777110
|
|
47 47 1 -0.000000 32.041000 0.575358 -16.662045 -9.460154 1.017830 0.756575 1.185190
|
|
48 48 1 -0.000000 32.041000 -2.138652 -19.952921 -12.337756 1.047200 -4.439140 0.118710
|
|
49 49 1 -0.000000 32.041000 -2.317036 -11.070721 -15.399389 0.088490 4.809130 -0.789780
|
|
50 50 1 0.000000 32.041000 -3.172174 -16.318103 -14.776046 -1.563510 0.146260 -0.051000
|
|
51 51 1 -0.000000 32.041000 -9.546871 20.687375 -20.228450 2.092920 4.191480 -2.129650
|
|
52 52 1 -0.000000 32.041000 -4.715053 -7.385178 -18.571930 7.025070 4.953440 7.903070
|
|
53 53 1 -0.000000 32.041000 -4.206725 -12.578401 -11.988159 2.621110 -0.524160 0.223050
|
|
54 54 1 -0.000000 32.041000 -6.672270 -13.413714 -18.558538 -14.489790 -10.959914 24.298350
|
|
55 55 1 -0.000000 32.041000 -6.278937 -17.987461 -14.683175 4.756281 2.671340 -3.781072
|
|
56 56 1 -0.000000 32.041000 -6.529286 -9.754107 -19.556693 -5.966752 0.253920 -8.432440
|
|
57 57 1 -0.000000 32.041000 -4.598818 -16.783762 -19.878217 -2.150836 0.332510 0.931600
|
|
58 58 1 -0.000000 32.041000 -7.167360 -14.894541 -15.341296 -4.299430 -4.865200 3.964650
|
|
59 59 1 -0.000000 32.041000 -6.080794 -9.836395 -14.983501 -11.756946 -6.544915 3.136450
|
|
60 60 1 -0.000000 32.041000 -18.081801 -13.220942 -9.584605 1.096540 2.145110 1.039087
|
|
61 61 1 0.000000 32.041000 -6.805185 -15.113743 -9.908853 -5.250610 -0.596550 -5.416020
|
|
62 62 1 -0.000000 32.041000 -5.401834 -7.168215 -9.218400 -4.857260 -6.279360 2.935650
|
|
63 63 1 -0.000000 32.041000 -14.842618 -14.079869 20.394209 -1.846000 2.387630 -2.862330
|
|
64 64 1 0.000000 32.041000 -14.716834 -16.355817 -7.724288 2.105788 -1.584140 3.399920
|
|
65 65 1 -0.000000 32.041000 -12.004911 -12.401911 -9.611574 -10.330800 -4.650710 2.459221
|
|
66 66 1 -0.000000 32.041000 -17.769508 -15.670824 -3.377876 -2.853980 -0.443790 -4.341100
|
|
67 67 1 -0.000000 32.041000 -14.987134 -11.393387 -1.195085 4.436978 -0.703700 -5.134883
|
|
68 68 1 -0.000000 32.041000 -14.510295 -8.857224 -6.117037 7.799500 11.316520 -0.022400
|
|
69 69 1 0.000000 32.041000 -16.083357 -11.568497 -6.696254 -6.668530 -8.360560 -4.828863
|
|
70 70 1 -0.000000 32.041000 -12.941994 -15.085049 -4.551248 1.805150 -0.689050 0.010150
|
|
71 71 1 -0.000000 32.041000 -14.826825 -17.346236 -2.727853 1.749997 0.708300 2.010273
|
|
72 72 1 0.000000 32.041000 -12.044719 -11.094101 -2.308488 -3.280420 -3.856080 -0.819615
|
|
73 73 1 -0.000000 32.041000 -0.580306 -7.680006 -2.819935 1.106097 -3.961160 -0.460090
|
|
74 74 1 -0.000000 32.041000 -19.056304 -11.077627 -2.746699 -2.808690 2.913839 -0.914640
|
|
75 75 1 -0.000000 32.041000 20.641104 -12.616881 -7.686030 -1.845330 -2.220219 -0.150180
|
|
76 76 1 -0.000000 32.041000 -13.837294 20.382984 -7.040545 -0.935546 2.428410 -3.641210
|
|
77 77 1 0.000000 32.041000 -20.102593 -19.401590 -8.910913 2.594000 -0.049182 -7.201050
|
|
78 78 1 0.000000 32.041000 -18.272746 -6.953662 -7.274103 -1.448220 0.606230 0.415358
|
|
79 79 1 -0.000000 32.041000 -19.647229 -8.141990 -1.475118 3.608360 -2.735140 2.117000
|
|
80 80 1 -0.000000 32.041000 -10.647304 -16.971641 -6.594955 -1.366880 -0.607380 -9.371370
|
|
81 81 1 -0.000000 32.041000 -6.000342 20.133159 -3.262010 0.505550 -4.170890 -3.061860
|
|
82 82 1 -0.000000 32.041000 -20.052390 -16.463861 -6.001016 3.586300 1.312620 2.258590
|
|
83 83 1 -0.000000 32.041000 -14.145124 -7.129952 -1.773719 5.096480 -2.170560 3.643500
|
|
84 84 1 -0.000000 32.041000 -4.751765 -11.960560 -8.466701 0.978765 1.553413 -1.620110
|
|
85 85 1 0.000000 32.041000 -16.793263 -20.143722 -5.595354 -4.580600 -2.113784 -0.287129
|
|
86 86 1 -0.000000 32.041000 -9.361047 -11.418041 -7.499452 0.598780 2.515640 -1.517800
|
|
87 87 1 -0.000000 32.041000 -1.940742 -19.214660 -5.292825 3.596720 0.643740 -0.937196
|
|
88 88 1 -0.000000 32.041000 -10.612269 -7.627541 -8.135041 -4.276589 5.124507 -0.475400
|
|
89 89 1 -0.000000 32.041000 -3.336691 -9.079058 -1.566220 4.409100 4.046380 0.927730
|
|
90 90 1 -0.000000 32.041000 -16.922669 -6.563346 -2.996206 -10.769130 2.238350 -3.325397
|
|
91 91 1 -0.000000 32.041000 -18.009658 20.467509 -1.025712 -2.483200 4.944550 3.492410
|
|
92 92 1 -0.000000 32.041000 19.505246 -17.227145 -2.126628 -1.933720 -5.196905 -0.896790
|
|
93 93 1 -0.000000 32.041000 -19.502398 -12.984239 0.232098 0.506681 -4.770557 -1.510979
|
|
94 94 1 -0.000000 32.041000 -10.184518 -19.358601 -3.536880 -1.497158 1.954560 7.526375
|
|
95 95 1 -0.000000 32.041000 -7.048940 -14.527607 -5.548128 0.073680 -0.196508 -1.362490
|
|
96 96 1 -0.000000 32.041000 -8.326795 -15.910507 -1.873867 3.156709 5.691950 1.277079
|
|
97 97 1 -0.000000 32.041000 -9.718369 -7.708533 -2.641227 4.890585 0.944880 -0.022626
|
|
98 98 1 -0.000000 32.041000 -10.084956 -18.314212 0.600897 -4.470370 -4.172899 -1.472990
|
|
99 99 1 0.000000 32.041000 -0.897184 -12.971133 -0.242896 -9.943930 14.886468 25.097895
|
|
100 100 1 -0.000000 32.041000 0.412189 -15.275511 -1.819644 13.772470 -14.466114 -15.242400
|
|
101 101 1 -0.000000 32.041000 -1.491474 -11.147282 -8.962902 -2.260141 3.892585 -4.168400
|
|
102 102 1 -0.000000 32.041000 -12.156314 -15.174234 0.403751 -2.031710 -3.759382 -1.924769
|
|
103 103 1 -0.000000 32.041000 -0.222256 -19.965177 -2.695445 3.619880 11.312540 -4.797060
|
|
104 104 1 -0.000000 32.041000 -11.894252 -6.060241 -4.806460 3.750925 0.919820 -3.431090
|
|
105 105 1 -0.000000 32.041000 -8.105049 -12.400396 -2.545838 -3.429610 -2.515151 -3.638240
|
|
106 106 1 0.000000 32.041000 -6.842002 -19.401499 -5.699737 -6.204768 4.724530 1.900500
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920 920 1 -0.000000 32.041000 6.545405 10.842928 -7.647755 -6.112705 2.278287 -0.090391
|
|
921 921 1 -0.000000 32.041000 4.484762 15.472728 -1.005150 2.827000 5.147190 -1.816640
|
|
922 922 1 -0.000000 32.041000 5.217996 14.401965 -9.187024 -11.839520 -3.264940 0.591520
|
|
923 923 1 0.000000 32.041000 3.944948 18.597917 -1.100428 3.828870 4.851974 -4.098911
|
|
924 924 1 -0.000000 32.041000 5.829893 8.260085 -0.071933 -13.606070 7.199158 10.566800
|
|
925 925 1 -0.000000 32.041000 6.888816 11.698643 -2.310176 -2.977760 3.521990 -0.048010
|
|
926 926 1 -0.000000 32.041000 10.078881 15.526783 -3.718110 -15.667510 1.260530 -0.834037
|
|
927 927 1 -0.000000 32.041000 8.689289 13.705426 -0.511490 1.773187 1.171650 -0.506520
|
|
928 928 1 -0.000000 32.041000 11.069473 10.258061 -0.523319 1.466010 4.529610 5.665710
|
|
929 929 1 -0.000000 32.041000 16.243429 9.403431 -8.747173 -8.395810 11.783454 -11.598150
|
|
930 930 1 -0.000000 32.041000 19.471586 14.386617 -2.636341 11.263710 3.406650 -10.395810
|
|
931 931 1 0.000000 32.041000 17.078448 13.355127 -8.949000 -2.932550 -1.057190 6.030050
|
|
932 932 1 -0.000000 32.041000 12.522260 19.728971 -0.793625 -4.329850 1.601990 -0.318713
|
|
933 933 1 -0.000000 32.041000 11.818617 14.416052 -1.277858 8.948850 -1.470000 8.280510
|
|
934 934 1 -0.000000 32.041000 17.591594 10.011049 -4.453688 -6.446790 -1.780670 4.224552
|
|
935 935 1 -0.000000 32.041000 15.047617 9.794232 0.520401 -4.846620 -2.784280 1.697070
|
|
936 936 1 -0.000000 32.041000 16.929004 18.229605 -4.212013 -7.094246 -4.885900 6.248810
|
|
937 937 1 -0.000000 32.041000 16.490761 17.245587 -7.257238 -3.929330 -9.219200 0.619910
|
|
938 938 1 -0.000000 32.041000 14.451465 13.612172 -6.234100 4.061770 -6.932380 -1.226420
|
|
939 939 1 0.000000 32.041000 13.389484 16.695469 -5.950595 5.573875 11.164760 -3.477850
|
|
940 940 1 -0.000000 32.041000 15.858159 11.860596 -1.968906 -3.503130 -2.580810 -0.170970
|
|
941 941 1 -0.000000 32.041000 1.093070 16.518457 9.496020 -0.691920 -4.362390 1.124630
|
|
942 942 1 -0.000000 32.041000 2.027364 15.104643 5.513769 -3.140650 -0.388108 0.079818
|
|
943 943 1 -0.000000 32.041000 8.033427 10.265759 3.606080 -0.205340 1.545170 0.803340
|
|
944 944 1 -0.000000 32.041000 7.397246 8.812816 8.220688 8.765486 -3.885749 -1.536140
|
|
945 945 1 -0.000000 32.041000 4.071958 14.261569 7.743511 4.088660 2.268587 6.345530
|
|
946 946 1 -0.000000 32.041000 4.386168 8.455911 7.831247 -7.936590 0.707730 3.365630
|
|
947 947 1 -0.000000 32.041000 6.709529 16.197077 4.442776 4.664996 -5.434850 4.120220
|
|
948 948 1 -0.000000 32.041000 2.957090 10.441720 4.029409 3.437580 0.814930 -6.993470
|
|
949 949 1 -0.000000 32.041000 6.138753 13.010829 3.064294 -3.705170 2.377550 -2.963690
|
|
950 950 1 -0.000000 32.041000 4.028893 17.845295 3.370476 -4.809930 -1.805540 2.411467
|
|
951 951 1 -0.000000 32.041000 2.157112 19.300484 5.588362 1.388300 3.200420 3.340529
|
|
952 952 1 -0.000000 32.041000 9.406768 14.582878 10.754436 14.505940 1.039810 -1.326630
|
|
953 953 1 -0.000000 32.041000 6.154395 17.953811 8.973765 1.588300 1.100220 -1.546010
|
|
954 954 1 -0.000000 32.041000 9.870950 17.827606 7.712414 -2.204770 0.273125 0.080520
|
|
955 955 1 -0.000000 32.041000 8.244306 18.074216 1.685726 -6.069611 3.495590 -10.887845
|
|
956 956 1 0.000000 32.041000 18.320448 8.173646 4.376253 -1.204230 -0.222860 -2.854163
|
|
957 957 1 -0.000000 32.041000 18.942193 14.885378 1.183210 0.580102 1.789150 4.428350
|
|
958 958 1 -0.000000 32.041000 11.309908 18.230386 2.985473 -4.833740 12.764884 7.157790
|
|
959 959 1 0.000000 32.041000 10.693866 13.752638 3.849752 -10.867030 -16.253910 0.749640
|
|
960 960 1 -0.000000 32.041000 9.000240 10.812951 11.732254 2.776910 4.130200 3.031175
|
|
961 961 1 -0.000000 32.041000 14.192100 18.815507 6.182131 -7.179627 -2.196173 2.709790
|
|
962 962 1 -0.000000 32.041000 19.038853 19.814961 1.665609 -7.387215 7.027070 -0.726990
|
|
963 963 1 -0.000000 32.041000 18.639659 11.861825 8.686925 -3.346467 -0.406090 3.818571
|
|
964 964 1 -0.000000 32.041000 12.738362 10.997383 3.976781 -2.926730 -0.816830 -3.194710
|
|
965 965 1 -0.000000 32.041000 12.604653 15.667026 10.645629 -2.005947 10.674417 5.811850
|
|
966 966 1 -0.000000 32.041000 5.927127 10.945802 11.734173 -2.335600 2.746120 -0.293800
|
|
967 967 1 -0.000000 32.041000 18.749931 10.645301 2.081649 6.434350 -4.229202 1.348120
|
|
968 968 1 -0.000000 32.041000 16.716221 13.253867 2.935189 -2.366930 -1.498210 1.063577
|
|
969 969 1 -0.000000 32.041000 11.485527 12.150157 7.556044 -3.266990 -5.312510 -8.525100
|
|
970 970 1 -0.000000 32.041000 13.974264 9.797958 8.221235 8.524618 2.060840 2.771140
|
|
971 971 1 -0.000000 32.041000 15.782089 13.830698 7.402451 0.558670 -4.503036 0.838302
|
|
972 972 1 -0.000000 32.041000 17.072858 17.790020 7.985650 0.127121 -2.956990 -0.933140
|
|
973 973 1 -0.000000 32.041000 17.950572 15.658118 5.685888 -0.266090 4.057000 3.129730
|
|
974 974 1 -0.000000 32.041000 12.957128 15.683307 3.000500 22.508925 2.509280 -6.395120
|
|
975 975 1 -0.000000 32.041000 13.401349 18.948027 11.508853 -0.355900 -4.080776 -3.459186
|
|
976 976 1 -0.000000 32.041000 2.186311 9.727155 17.095763 -1.020750 -1.708000 5.060003
|
|
977 977 1 -0.000000 32.041000 1.642281 19.127697 14.043488 -1.515394 -1.767072 -3.944470
|
|
978 978 1 -0.000000 32.041000 6.182681 18.116724 16.026155 2.911200 4.941660 4.961460
|
|
979 979 1 -0.000000 32.041000 3.969928 14.276465 11.528734 0.532480 -1.158720 -4.800811
|
|
980 980 1 -0.000000 32.041000 4.170284 8.254405 13.756786 -2.774170 -0.272020 -5.412090
|
|
981 981 1 -0.000000 32.041000 3.096069 17.053853 15.901401 -0.714750 -5.071341 -6.868140
|
|
982 982 1 -0.000000 32.041000 5.909724 10.033694 15.727831 4.112110 -5.575370 6.227780
|
|
983 983 1 -0.000000 32.041000 7.282255 15.917241 12.645025 -11.239060 2.532840 3.936924
|
|
984 984 1 -0.000000 32.041000 9.719459 18.848266 13.775997 -1.475970 0.386048 -0.328590
|
|
985 985 1 -0.000000 32.041000 5.727645 19.305864 12.789973 3.889890 -4.611364 3.625165
|
|
986 986 1 -0.000000 32.041000 9.261141 10.075825 15.640993 0.531600 -0.411440 -3.007880
|
|
987 987 1 0.000000 32.041000 7.714986 13.507390 16.592321 6.356740 1.626798 -11.575660
|
|
988 988 1 -0.000000 32.041000 10.949744 14.883693 15.118272 -2.718630 -4.054588 -1.497830
|
|
989 989 1 -0.000000 32.041000 17.989861 10.213986 11.989310 0.869376 0.157660 -7.539850
|
|
990 990 1 -0.000000 32.041000 17.024220 15.132470 12.095662 3.552500 1.851100 -0.552200
|
|
991 991 1 0.000000 32.041000 19.014452 18.240232 13.153845 1.363010 2.102440 4.824780
|
|
992 992 1 -0.000000 32.041000 14.094619 10.206384 16.961745 0.278150 -1.442632 2.498872
|
|
993 993 1 -0.000000 32.041000 11.183564 13.482250 19.503934 6.073510 -8.292100 -2.267980
|
|
994 994 1 -0.000000 32.041000 13.405029 12.402014 14.904529 0.661250 8.107370 1.519080
|
|
995 995 1 -0.000000 32.041000 12.635152 17.444085 18.492930 -3.601850 -4.550630 -1.613900
|
|
996 996 1 0.000000 32.041000 15.208509 17.758340 15.778488 -1.503130 6.328200 -0.463420
|
|
997 997 1 -0.000000 32.041000 18.409580 11.670352 14.876289 2.523710 3.686690 2.706631
|
|
998 998 1 -0.000000 32.041000 18.687195 14.841269 15.183196 -1.124790 3.242670 -0.979870
|
|
999 999 1 -0.000000 32.041000 16.706853 9.802465 18.999375 -4.500310 1.774720 1.619280
|
|
1000 1000 1 -0.000000 32.041000 17.377209 17.026323 18.698479 3.488151 -2.222149 0.890977
|
|
ITEM: TIMESTEP
|
|
3500
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -16.293481 -10.002230 -16.866318 2.822110 -10.372000 -0.822720
|
|
2 2 1 -0.000000 32.041000 -14.531783 -7.586576 -15.856164 0.381830 8.744390 4.228210
|
|
3 3 1 -0.000000 32.041000 -11.377989 -9.779981 -17.542387 -4.265620 1.011880 -6.727980
|
|
4 4 1 -0.000000 32.041000 -15.904942 -11.962040 -12.842221 -6.956240 4.116800 2.132766
|
|
5 5 1 -0.000000 32.041000 -19.283570 -12.103979 -13.669335 8.196487 0.959070 6.773141
|
|
6 6 1 -0.000000 32.041000 -14.531849 -15.289927 -15.512221 3.040320 -3.353010 -3.474120
|
|
7 7 1 -0.000000 32.041000 -12.137724 -18.110129 -12.660080 -8.749100 -2.498720 -6.393290
|
|
8 8 1 -0.000000 32.041000 -11.922966 -12.260748 -13.969587 -8.513530 0.006180 2.214270
|
|
9 9 1 0.000000 32.041000 -19.819185 -15.541661 -13.720100 -2.416440 -1.928651 -6.115740
|
|
10 10 1 -0.000000 32.041000 -10.984587 -7.425087 -15.543174 -1.225060 1.813450 3.819467
|
|
11 11 1 -0.000000 32.041000 -15.556803 -17.928242 -12.905043 4.739830 0.346490 -0.308940
|
|
12 12 1 -0.000000 32.041000 20.308908 -11.453250 -17.810277 2.101390 6.368400 2.235730
|
|
13 13 1 -0.000000 32.041000 -15.948199 -17.688013 -18.168022 -1.065550 -2.339760 0.318118
|
|
14 14 1 -0.000000 32.041000 0.841318 -7.904287 -18.941429 -4.265523 9.147230 6.694108
|
|
15 15 1 -0.000000 32.041000 -17.859561 -14.370642 -20.530659 -5.650790 -0.249170 -2.020500
|
|
16 16 1 -0.000000 32.041000 -19.458028 -7.241192 -17.082267 -4.973340 -2.323770 2.341230
|
|
17 17 1 -0.000000 32.041000 -15.129909 -10.349895 -20.096783 -0.022580 1.223418 1.579468
|
|
18 18 1 0.000000 32.041000 -4.489910 -16.208563 -19.444480 -4.575747 -3.620430 2.099784
|
|
19 19 1 -0.000000 32.041000 -17.141459 -10.109367 -9.810647 12.203425 1.565340 0.581610
|
|
20 20 1 -0.000000 32.041000 -12.026662 20.160363 -16.842733 -1.081220 -1.615990 -0.993480
|
|
21 21 1 -0.000000 32.041000 -13.245696 -9.680658 -11.314829 2.128124 -3.683325 -10.206970
|
|
22 22 1 -0.000000 32.041000 -19.259865 -10.013989 -19.988551 -6.035590 -0.405130 -9.065300
|
|
23 23 1 -0.000000 32.041000 -3.954058 -11.360512 -20.097074 1.257850 3.408574 1.142210
|
|
24 24 1 -0.000000 32.041000 -11.821935 -16.009391 -17.500218 -3.651380 -1.354990 3.549139
|
|
25 25 1 -0.000000 32.041000 -19.634666 -16.145832 -16.855455 5.739718 -0.568308 8.328866
|
|
26 26 1 -0.000000 32.041000 -8.742738 -13.361398 -20.244911 2.854395 0.713390 1.614541
|
|
27 27 1 -0.000000 32.041000 -15.738420 20.467813 -19.126395 0.856099 2.710710 -0.536090
|
|
28 28 1 -0.000000 32.041000 -10.878387 -16.847068 -10.399536 5.048747 1.702310 10.137620
|
|
29 29 1 -0.000000 32.041000 20.417401 -19.404356 -11.827988 -1.072640 -0.238170 -3.524710
|
|
30 30 1 -0.000000 32.041000 -3.982247 -19.465836 -20.021194 7.245110 4.276960 -1.232990
|
|
31 31 1 -0.000000 32.041000 -18.578508 -20.446243 -13.910326 -0.412020 -0.096180 0.411890
|
|
32 32 1 -0.000000 32.041000 -18.046905 -6.924189 -12.455135 -6.612660 3.202470 0.034160
|
|
33 33 1 -0.000000 32.041000 20.029713 -19.674148 -17.193599 -2.494870 -8.128640 -3.238150
|
|
34 34 1 -0.000000 32.041000 -14.905605 -13.627513 -20.277377 2.751180 -3.052010 -0.594995
|
|
35 35 1 -0.000000 32.041000 -9.755960 -12.654663 -11.052729 0.182590 -6.599880 -2.256500
|
|
36 36 1 -0.000000 32.041000 -8.912273 -20.150136 -19.918134 -2.792710 -8.293250 -1.317980
|
|
37 37 1 -0.000000 32.041000 -4.994178 -6.878057 -18.440243 -8.202809 -0.508560 -5.684700
|
|
38 38 1 -0.000000 32.041000 -0.445544 -14.631900 -18.000254 1.951591 4.734710 -3.627680
|
|
39 39 1 -0.000000 32.041000 -2.227045 -8.084449 -11.263620 -1.878400 -8.295636 -1.400440
|
|
40 40 1 -0.000000 32.041000 -8.076221 -17.589611 -17.756515 -5.928790 -0.555250 -2.045370
|
|
41 41 1 0.000000 32.041000 -9.386405 -11.377976 -15.335419 4.473760 -0.268380 0.186080
|
|
42 42 1 -0.000000 32.041000 -7.982262 -19.890640 -10.676826 1.867110 8.742950 -2.235355
|
|
43 43 1 -0.000000 32.041000 -1.461619 -18.005801 -16.456375 4.357420 -8.990210 -2.922940
|
|
44 44 1 -0.000000 32.041000 -8.407994 -8.936577 -10.655371 0.972150 4.538051 -0.073630
|
|
45 45 1 -0.000000 32.041000 -3.088387 20.373515 -13.070326 1.502690 -2.680282 7.834450
|
|
46 46 1 -0.000000 32.041000 -2.217427 -10.535211 -15.412180 1.293176 2.301080 2.668080
|
|
47 47 1 0.000000 32.041000 -3.639886 -15.610735 -15.313610 4.127260 1.308688 -0.016990
|
|
48 48 1 -0.000000 32.041000 -2.252686 -7.022135 -16.644981 12.249752 -4.262731 2.460570
|
|
49 49 1 -0.000000 32.041000 -4.117604 -12.775947 -12.067461 -1.258628 5.787540 -2.606450
|
|
50 50 1 -0.000000 32.041000 -6.333169 -13.251816 -17.117799 -2.445250 0.904397 -3.244370
|
|
51 51 1 -0.000000 32.041000 -5.733378 -18.559748 -15.401907 -4.502210 3.759290 4.083922
|
|
52 52 1 -0.000000 32.041000 -6.778098 -9.471203 -18.791569 4.175550 -4.681872 -5.096410
|
|
53 53 1 -0.000000 32.041000 -7.448183 -15.371232 -13.905021 -3.344630 -3.858899 -12.416200
|
|
54 54 1 -0.000000 32.041000 -6.695217 -9.927452 -14.626246 2.271070 -1.459756 4.456230
|
|
55 55 1 -0.000000 32.041000 -7.270359 -15.199646 -10.009577 -0.499828 -0.341560 12.182055
|
|
56 56 1 0.000000 32.041000 -11.268319 -7.885949 19.804008 -10.989452 -5.008980 2.551180
|
|
57 57 1 -0.000000 32.041000 -7.049269 -17.060011 19.838755 1.205780 10.197342 0.853380
|
|
58 58 1 -0.000000 32.041000 -0.625381 -18.993060 19.907338 -2.300170 -5.148410 0.707925
|
|
59 59 1 0.000000 32.041000 -14.396650 -16.207538 -8.247436 -1.384070 -1.176620 1.607012
|
|
60 60 1 -0.000000 32.041000 -12.312166 -12.219282 -8.684281 -0.063690 2.171586 6.564030
|
|
61 61 1 -0.000000 32.041000 -18.044510 -15.181758 -3.763234 -1.770150 1.895332 -5.145490
|
|
62 62 1 -0.000000 32.041000 -15.356987 -11.476314 -1.646217 4.716980 -5.571060 -7.361310
|
|
63 63 1 -0.000000 32.041000 -13.867087 -8.956924 -5.979032 -8.687910 8.731340 -2.195650
|
|
64 64 1 0.000000 32.041000 -16.014476 -11.750879 -6.384856 0.029970 -0.880470 -7.488474
|
|
65 65 1 -0.000000 32.041000 -12.753119 -15.573243 -4.830746 -6.300900 2.268690 -1.279249
|
|
66 66 1 -0.000000 32.041000 -15.586432 -16.914278 -2.778838 7.269401 -5.378620 -0.034330
|
|
67 67 1 -0.000000 32.041000 -18.481846 -13.198145 -8.936229 2.145630 5.099760 -3.775660
|
|
68 68 1 0.000000 32.041000 -12.373632 -11.470012 -3.356761 1.129970 -5.616100 6.675300
|
|
69 69 1 -0.000000 32.041000 19.726525 -10.193096 -9.691051 -7.743450 -1.687740 -0.176307
|
|
70 70 1 -0.000000 32.041000 -19.277731 -11.404792 -3.140755 -2.890538 5.042800 -6.109970
|
|
71 71 1 -0.000000 32.041000 -10.858188 -7.371602 -7.953414 0.696730 -3.154380 -1.575045
|
|
72 72 1 0.000000 32.041000 -13.682552 -20.668289 -7.349561 -0.359210 -5.581320 1.816170
|
|
73 73 1 0.000000 32.041000 -19.346256 -19.562953 -9.006461 0.684880 -2.881600 4.417380
|
|
74 74 1 0.000000 32.041000 -18.148321 -7.386532 -7.146412 -9.245017 -4.105660 -2.789270
|
|
75 75 1 -0.000000 32.041000 19.896565 -13.041082 -7.862942 -1.281050 -4.229280 2.313880
|
|
76 76 1 -0.000000 32.041000 -10.976301 -17.175802 -7.085055 -0.230896 2.388170 -1.030890
|
|
77 77 1 -0.000000 32.041000 -19.514263 -8.759401 -0.734843 5.319180 1.956400 0.008920
|
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890 890 1 -0.000000 32.041000 5.012728 14.697236 -16.930103 2.151753 0.732999 -0.135420
|
|
891 891 1 0.000000 32.041000 3.265476 7.799118 -13.236066 -0.289190 -3.105000 -0.211410
|
|
892 892 1 -0.000000 32.041000 5.287902 15.990577 -11.777307 -1.025480 -2.684440 0.492560
|
|
893 893 1 -0.000000 32.041000 3.229458 9.152685 -18.894986 -3.736540 -0.902690 0.353460
|
|
894 894 1 -0.000000 32.041000 14.752398 19.697529 -14.912348 7.672580 0.158200 -18.257310
|
|
895 895 1 -0.000000 32.041000 5.428176 11.316683 -16.797638 -5.692013 -2.223900 7.121385
|
|
896 896 1 -0.000000 32.041000 4.078444 15.431467 -20.062983 -3.009920 7.253270 2.088870
|
|
897 897 1 -0.000000 32.041000 9.955490 14.427460 -12.535743 2.826550 -0.040150 0.174367
|
|
898 898 1 -0.000000 32.041000 11.819781 7.743827 -17.824047 2.917190 -4.942679 0.423850
|
|
899 899 1 -0.000000 32.041000 9.034550 18.557166 20.407991 -3.566540 1.638940 -0.147880
|
|
900 900 1 -0.000000 32.041000 14.283013 16.957879 -10.919199 -4.403090 0.859320 6.284720
|
|
901 901 1 -0.000000 32.041000 4.961578 18.895229 -9.726761 -2.931380 6.603500 -1.410396
|
|
902 902 1 0.000000 32.041000 1.767350 13.060297 -10.028268 -0.945066 -2.185441 -8.260170
|
|
903 903 1 -0.000000 32.041000 17.630352 19.299697 -18.658361 2.800829 3.857751 2.729990
|
|
904 904 1 -0.000000 32.041000 16.926626 9.028036 -12.062760 0.738390 -1.280460 2.495660
|
|
905 905 1 -0.000000 32.041000 4.541837 11.262757 -10.718853 -10.357710 -3.545600 -5.462958
|
|
906 906 1 -0.000000 32.041000 13.346142 12.836351 -18.082168 2.833200 1.420270 2.634500
|
|
907 907 1 -0.000000 32.041000 14.194391 15.055512 -15.726525 -0.606921 0.350760 -0.956250
|
|
908 908 1 -0.000000 32.041000 17.423421 14.181968 -20.255318 -5.319560 -0.510426 1.099300
|
|
909 909 1 -0.000000 32.041000 17.254070 10.217675 -16.242770 1.555530 -2.332667 -1.587750
|
|
910 910 1 0.000000 32.041000 12.332371 8.286900 -13.719561 -0.444488 -2.716160 1.715230
|
|
911 911 1 -0.000000 32.041000 14.397638 9.733779 -18.572167 -2.292430 1.026800 -2.793551
|
|
912 912 1 -0.000000 32.041000 14.963510 11.059649 -13.591210 3.005360 2.503860 -1.766260
|
|
913 913 1 -0.000000 32.041000 17.024118 16.052527 -12.546282 -3.806356 -8.627830 -9.420502
|
|
914 914 1 -0.000000 32.041000 18.909709 18.116751 -10.932318 12.122580 5.146840 3.678140
|
|
915 915 1 -0.000000 32.041000 2.455046 10.819007 1.465519 4.217110 -2.698580 -3.304890
|
|
916 916 1 -0.000000 32.041000 2.397187 9.286917 -6.239693 4.631960 1.153640 -0.624740
|
|
917 917 1 -0.000000 32.041000 5.351951 15.618323 -4.406824 2.461850 -2.220480 -0.960190
|
|
918 918 1 -0.000000 32.041000 7.627827 15.342279 -8.219053 3.572910 1.297750 1.221190
|
|
919 919 1 -0.000000 32.041000 8.748340 8.461731 -2.919481 -1.404850 -6.975900 -7.115430
|
|
920 920 1 -0.000000 32.041000 1.938786 16.649763 -4.306356 0.680870 3.147523 -4.162790
|
|
921 921 1 -0.000000 32.041000 9.201419 19.580402 -2.113111 2.029510 -1.976755 -1.353740
|
|
922 922 1 -0.000000 32.041000 5.442549 10.856751 -7.467636 7.746911 -4.423050 3.218440
|
|
923 923 1 -0.000000 32.041000 5.034811 16.399098 -1.146108 1.124361 -2.463967 5.621110
|
|
924 924 1 -0.000000 32.041000 4.588406 14.233072 -8.887874 2.005130 10.019780 4.030590
|
|
925 925 1 0.000000 32.041000 16.749853 13.883205 -8.932749 0.915270 -1.870722 5.322890
|
|
926 926 1 -0.000000 32.041000 6.110786 8.834824 0.342605 -0.821765 1.495160 0.282771
|
|
927 927 1 -0.000000 32.041000 7.058400 11.266097 -2.909565 3.647890 1.296727 0.930480
|
|
928 928 1 -0.000000 32.041000 10.425671 14.958869 -2.711173 -8.294540 3.869290 -8.300950
|
|
929 929 1 -0.000000 32.041000 12.564853 19.796834 -1.151562 3.850800 1.720835 -2.011580
|
|
930 930 1 -0.000000 32.041000 7.997513 13.223429 -0.104706 -7.206630 2.960887 0.573140
|
|
931 931 1 -0.000000 32.041000 10.842790 10.229665 -0.146552 11.303422 2.859490 11.355620
|
|
932 932 1 -0.000000 32.041000 15.668481 11.568080 -2.080311 1.005190 -3.199580 2.771920
|
|
933 933 1 -0.000000 32.041000 15.594008 8.193219 -9.143884 1.173200 -2.850470 2.559516
|
|
934 934 1 -0.000000 32.041000 13.246065 16.672096 -5.522372 -1.505430 -2.129507 0.829740
|
|
935 935 1 0.000000 32.041000 12.950759 14.912559 -0.914246 11.180168 -1.636120 5.320310
|
|
936 936 1 -0.000000 32.041000 16.529961 9.389756 -4.544845 -5.692720 10.892510 -4.298645
|
|
937 937 1 -0.000000 32.041000 16.426163 18.005767 -2.938446 2.744300 -1.947426 -3.370440
|
|
938 938 1 -0.000000 32.041000 16.267395 17.536779 -6.562265 2.058383 -0.083200 2.302010
|
|
939 939 1 -0.000000 32.041000 14.580952 13.369288 -6.064268 2.079620 0.387790 -2.597840
|
|
940 940 1 -0.000000 32.041000 8.797725 18.057107 0.582204 -4.588570 -3.052920 -2.667770
|
|
941 941 1 -0.000000 32.041000 0.740142 16.408564 9.224969 -10.661082 6.308570 5.326070
|
|
942 942 1 -0.000000 32.041000 2.094375 15.391628 6.211464 8.323510 -11.407630 -3.169180
|
|
943 943 1 -0.000000 32.041000 8.133327 10.776117 3.824445 3.894220 -2.970654 2.873240
|
|
944 944 1 -0.000000 32.041000 7.234319 8.131804 7.574745 5.055510 0.679371 1.149070
|
|
945 945 1 -0.000000 32.041000 4.080228 13.550913 8.292074 -3.835050 3.412910 -6.634620
|
|
946 946 1 -0.000000 32.041000 4.246151 8.440532 8.944175 5.687660 5.136800 0.369269
|
|
947 947 1 -0.000000 32.041000 6.800906 16.608092 4.210550 0.362130 -6.845050 -2.020360
|
|
948 948 1 -0.000000 32.041000 3.860182 10.879884 4.582181 12.498510 5.572880 -10.479280
|
|
949 949 1 -0.000000 32.041000 6.284376 13.403275 2.852319 -4.012120 6.974520 1.182610
|
|
950 950 1 -0.000000 32.041000 3.690590 18.010705 3.535775 0.924370 3.567630 -3.013940
|
|
951 951 1 -0.000000 32.041000 2.044500 19.437462 6.277869 -2.407810 -4.108170 0.537878
|
|
952 952 1 -0.000000 32.041000 5.722803 18.215906 9.390559 -2.227050 0.686224 -0.278400
|
|
953 953 1 -0.000000 32.041000 8.784405 17.541604 8.254879 2.486058 2.524440 -3.711470
|
|
954 954 1 -0.000000 32.041000 15.105422 10.490301 1.274420 0.766305 -2.961620 -8.310521
|
|
955 955 1 0.000000 32.041000 18.335086 8.199656 3.128931 -0.904833 2.124940 -2.398980
|
|
956 956 1 -0.000000 32.041000 19.009650 15.162436 1.499298 0.437840 1.215230 2.541583
|
|
957 957 1 -0.000000 32.041000 10.976284 18.051024 3.090154 8.077610 -1.027240 3.623859
|
|
958 958 1 0.000000 32.041000 11.573595 13.065181 3.288821 1.707564 8.988789 -8.012120
|
|
959 959 1 -0.000000 32.041000 12.251638 9.720726 3.556724 0.197190 -3.335797 2.509680
|
|
960 960 1 -0.000000 32.041000 13.729222 18.326192 6.833385 2.651833 -0.660453 1.354703
|
|
961 961 1 -0.000000 32.041000 18.468568 11.821967 8.421201 -0.565140 2.614507 4.113670
|
|
962 962 1 -0.000000 32.041000 11.403427 11.996945 7.158397 1.512530 -4.378940 7.555641
|
|
963 963 1 -0.000000 32.041000 13.837674 10.237021 9.396254 5.087828 12.861052 -5.535960
|
|
964 964 1 -0.000000 32.041000 17.978549 12.500542 3.686010 -3.714860 -2.313870 -4.470930
|
|
965 965 1 -0.000000 32.041000 12.469249 15.958327 10.982895 1.698496 5.738689 3.886850
|
|
966 966 1 -0.000000 32.041000 15.762621 13.906566 8.490372 3.219090 -2.482915 -10.122970
|
|
967 967 1 -0.000000 32.041000 17.038976 18.096761 8.596802 -2.005120 8.873185 2.735440
|
|
968 968 1 -0.000000 32.041000 18.123971 15.938270 6.253313 3.307410 -6.048806 -6.872684
|
|
969 969 1 -0.000000 32.041000 13.402836 15.583993 2.308165 -4.709050 -3.946900 -0.453338
|
|
970 970 1 -0.000000 32.041000 9.572535 10.166398 11.308760 -0.197890 7.722473 1.654671
|
|
971 971 1 0.000000 32.041000 18.403199 10.321601 11.472893 -0.204685 -0.111279 -3.242170
|
|
972 972 1 -0.000000 32.041000 5.867461 18.220943 17.451248 8.449720 3.546920 0.858034
|
|
973 973 1 -0.000000 32.041000 4.263389 14.452830 11.490338 1.987640 0.771550 4.062842
|
|
974 974 1 -0.000000 32.041000 3.315428 17.031658 15.387314 -12.477610 -1.812470 -4.732150
|
|
975 975 1 -0.000000 32.041000 6.238940 9.882779 15.703182 -1.621790 -14.425170 13.747832
|
|
976 976 1 -0.000000 32.041000 7.803656 14.403888 19.702044 13.636120 4.692534 3.909543
|
|
977 977 1 -0.000000 32.041000 6.525990 10.848013 12.584493 0.517980 7.700240 -20.045660
|
|
978 978 1 -0.000000 32.041000 2.531994 18.993941 19.304080 -1.911721 -0.409360 1.014430
|
|
979 979 1 -0.000000 32.041000 8.247691 9.532828 18.865287 0.132670 2.474530 -1.545288
|
|
980 980 1 0.000000 32.041000 4.800732 13.022263 18.909887 -8.023950 -3.855870 -1.269660
|
|
981 981 1 -0.000000 32.041000 7.492895 16.817441 12.389503 -11.540910 -2.030085 -4.555690
|
|
982 982 1 -0.000000 32.041000 12.805723 19.245793 11.856215 -3.643020 -3.404689 0.367244
|
|
983 983 1 -0.000000 32.041000 8.614116 19.247778 14.431840 3.490090 -1.290780 0.202910
|
|
984 984 1 -0.000000 32.041000 5.308523 19.380799 13.388562 -0.348675 7.041510 -2.089270
|
|
985 985 1 -0.000000 32.041000 9.760546 10.587100 15.086764 -0.711480 -4.687400 1.115702
|
|
986 986 1 0.000000 32.041000 8.365603 13.972859 16.354324 -11.720020 -7.109660 8.423640
|
|
987 987 1 -0.000000 32.041000 9.510123 14.665740 11.383718 0.940500 -1.670045 -3.588865
|
|
988 988 1 -0.000000 32.041000 10.567829 15.491041 14.988367 21.433360 7.519760 6.202810
|
|
989 989 1 -0.000000 32.041000 13.894421 8.345175 13.173587 -2.883703 -4.986835 4.820606
|
|
990 990 1 -0.000000 32.041000 17.112204 15.736198 12.436939 4.866908 -13.975110 0.393410
|
|
991 991 1 0.000000 32.041000 19.236722 18.455971 13.008751 -0.204880 3.476220 -2.177646
|
|
992 992 1 -0.000000 32.041000 13.260106 10.201383 17.350358 -3.419080 1.715830 -3.671802
|
|
993 993 1 -0.000000 32.041000 11.052208 13.412829 19.548470 -2.687661 -1.293560 -2.528245
|
|
994 994 1 -0.000000 32.041000 13.109211 12.956529 15.032082 -3.379466 1.496390 -3.294761
|
|
995 995 1 -0.000000 32.041000 12.822267 16.547011 17.351215 -10.215220 0.224151 -6.771928
|
|
996 996 1 0.000000 32.041000 15.398178 17.841173 15.322247 -8.339682 1.637320 2.466310
|
|
997 997 1 -0.000000 32.041000 17.576641 11.822710 14.331506 -0.897650 0.337975 -1.357690
|
|
998 998 1 -0.000000 32.041000 18.124258 14.970396 15.979251 -5.055180 0.878070 -5.520760
|
|
999 999 1 -0.000000 32.041000 16.279992 10.624389 18.561873 5.311120 -1.149590 4.733020
|
|
1000 1000 1 -0.000000 32.041000 15.593843 17.327611 18.966525 11.776260 -1.075190 5.216430
|
|
ITEM: TIMESTEP
|
|
3750
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -16.307557 -9.536758 -17.388014 4.071470 -4.869608 -4.429540
|
|
2 2 1 -0.000000 32.041000 -14.596810 -7.356171 -15.632428 -8.776002 5.498960 0.602403
|
|
3 3 1 -0.000000 32.041000 -8.669846 -13.385515 -19.163519 -2.508450 -1.084247 1.272600
|
|
4 4 1 -0.000000 32.041000 -0.629308 -10.969668 -10.200922 7.295760 0.305320 2.019205
|
|
5 5 1 -0.000000 32.041000 -11.758144 -10.182125 -17.847887 6.690370 8.272700 1.046280
|
|
6 6 1 -0.000000 32.041000 -16.503037 -11.244491 -12.877199 -7.810140 3.746730 -5.158355
|
|
7 7 1 -0.000000 32.041000 -19.543921 -11.951919 -13.865364 0.341880 1.055110 1.743370
|
|
8 8 1 -0.000000 32.041000 -14.895510 -15.433687 -14.803059 -0.644200 -1.226754 5.574520
|
|
9 9 1 -0.000000 32.041000 -11.425416 -18.121485 -13.724638 -3.887470 -0.688310 7.760579
|
|
10 10 1 -0.000000 32.041000 -12.418455 -12.243692 -13.258687 -1.459668 1.927080 -10.132710
|
|
11 11 1 0.000000 32.041000 -20.314998 -15.052197 -13.591841 20.627500 -7.158542 -6.965200
|
|
12 12 1 -0.000000 32.041000 -11.242094 -8.291245 -15.236905 6.793310 0.942090 2.299904
|
|
13 13 1 -0.000000 32.041000 -14.838137 -18.094300 -12.027443 4.202610 4.996720 -4.191713
|
|
14 14 1 -0.000000 32.041000 0.956889 -16.129723 -10.617365 -1.277790 0.463730 5.152374
|
|
15 15 1 -0.000000 32.041000 -4.908048 -16.090752 -18.825258 -4.639370 -3.727280 1.166418
|
|
16 16 1 -0.000000 32.041000 -16.227668 -18.072040 -17.519686 -1.913720 3.173250 2.363310
|
|
17 17 1 0.000000 32.041000 -11.302822 -7.502703 19.717803 -2.013760 -3.493705 -1.852525
|
|
18 18 1 -0.000000 32.041000 -17.523201 -14.493504 -19.913985 1.466236 0.666480 -2.916290
|
|
19 19 1 -0.000000 32.041000 -20.000053 -6.694645 -16.980192 0.326770 7.875640 -1.410024
|
|
20 20 1 -0.000000 32.041000 -15.012126 -9.763190 20.686938 -4.232433 -0.115620 1.323880
|
|
21 21 1 -0.000000 32.041000 -17.528992 -10.369558 -9.785364 0.678230 1.273938 -2.966770
|
|
22 22 1 0.000000 32.041000 20.618204 -10.831649 -18.270683 -1.457450 -11.082123 5.152582
|
|
23 23 1 -0.000000 32.041000 -12.670793 -20.476164 -16.627870 -5.731400 6.284878 -0.153457
|
|
24 24 1 -0.000000 32.041000 -13.008277 -10.008949 -11.093843 6.777080 3.476240 6.919310
|
|
25 25 1 -0.000000 32.041000 -3.461210 -11.044838 -19.378457 -3.839520 -1.645670 -10.544740
|
|
26 26 1 -0.000000 32.041000 -12.454126 -15.894582 -17.163118 2.519700 -0.518752 -1.109320
|
|
27 27 1 -0.000000 32.041000 -20.292213 20.085857 20.504360 -0.277091 1.925140 3.300111
|
|
28 28 1 -0.000000 32.041000 -19.810021 -15.793397 -16.713160 -2.874300 1.456391 7.830610
|
|
29 29 1 -0.000000 32.041000 -15.900602 20.576993 -19.329182 -6.152750 -9.017428 4.692375
|
|
30 30 1 -0.000000 32.041000 -1.045546 -14.807747 -18.423064 1.552829 3.670760 -0.515980
|
|
31 31 1 -0.000000 32.041000 -11.553942 -16.121117 -10.747021 0.145970 -9.551820 3.068850
|
|
32 32 1 -0.000000 32.041000 20.046662 -18.998946 -11.736978 0.151070 -0.469880 -4.625951
|
|
33 33 1 0.000000 32.041000 -14.546570 -13.168646 -19.906561 -2.795987 -8.068331 -3.935770
|
|
34 34 1 -0.000000 32.041000 -3.368098 -18.659004 -20.125559 6.281730 -3.719939 -9.432918
|
|
35 35 1 -0.000000 32.041000 -18.297671 -19.260817 -13.998624 -4.957110 -0.316050 -1.161259
|
|
36 36 1 -0.000000 32.041000 -19.480121 -9.970892 20.286992 0.995470 1.065960 -3.871530
|
|
37 37 1 -0.000000 32.041000 -13.069473 -5.869308 -12.019996 -4.929960 1.668318 1.539101
|
|
38 38 1 -0.000000 32.041000 -18.686398 -7.243536 -12.333444 -0.854950 4.570890 4.164163
|
|
39 39 1 -0.000000 32.041000 19.847263 -20.158080 -16.863306 -1.874330 -1.444194 -1.127880
|
|
40 40 1 -0.000000 32.041000 1.421850 -7.514801 -18.538082 3.081950 -12.477660 0.531460
|
|
41 41 1 -0.000000 32.041000 -8.878256 20.584452 -20.519354 1.014110 -0.002720 -0.559667
|
|
42 42 1 -0.000000 32.041000 -1.795426 -7.945906 -11.817858 0.467350 -6.687950 -0.440750
|
|
43 43 1 -0.000000 32.041000 -8.687414 -18.281080 -18.034907 -1.611720 -0.447610 2.574370
|
|
44 44 1 0.000000 32.041000 -9.470794 -12.186981 -14.913486 -3.706579 2.934660 3.284224
|
|
45 45 1 -0.000000 32.041000 -7.297023 -19.180731 -10.881324 -1.114090 7.335080 0.347520
|
|
46 46 1 -0.000000 32.041000 -1.264978 -19.003629 -16.337451 -1.530470 10.397750 -7.586760
|
|
47 47 1 -0.000000 32.041000 -8.705794 -8.393388 -10.972246 -4.934070 -7.978328 -2.234938
|
|
48 48 1 -0.000000 32.041000 -8.189572 -15.107515 -10.072237 3.282124 -8.998500 -0.402590
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862 862 1 -0.000000 32.041000 7.234919 3.637266 18.917158 0.243510 -2.874709 1.026220
|
|
863 863 1 -0.000000 32.041000 14.984829 5.833129 11.458585 3.249960 -3.702080 -3.237050
|
|
864 864 1 0.000000 32.041000 15.339879 -3.630529 12.823579 0.581880 2.769110 -2.853150
|
|
865 865 1 -0.000000 32.041000 9.884730 5.532071 12.738708 0.213660 1.585930 13.208900
|
|
866 866 1 -0.000000 32.041000 14.454990 5.188851 19.261337 -2.520319 1.047410 -4.086160
|
|
867 867 1 -0.000000 32.041000 10.534464 -3.218854 16.337542 7.869570 8.763019 4.882050
|
|
868 868 1 -0.000000 32.041000 18.894883 3.449795 12.749196 -10.440830 6.533920 -0.420570
|
|
869 869 1 -0.000000 32.041000 1.611757 7.497709 17.090778 -0.333590 -1.404630 4.991800
|
|
870 870 1 -0.000000 32.041000 14.666319 -2.179301 16.807363 -1.052001 2.963140 4.705660
|
|
871 871 1 -0.000000 32.041000 12.382440 6.500044 16.470250 1.377000 -6.247187 6.549180
|
|
872 872 1 -0.000000 32.041000 13.059885 0.743099 17.693650 -3.410187 1.421470 -3.463980
|
|
873 873 1 -0.000000 32.041000 18.217176 3.055796 16.313710 1.182910 -3.402340 -2.671250
|
|
874 874 1 0.000000 32.041000 13.125639 -1.126089 13.349175 -4.804622 4.954824 -3.353917
|
|
875 875 1 -0.000000 32.041000 17.762757 -0.159027 16.725715 -0.111907 -1.170560 1.222259
|
|
876 876 1 -0.000000 32.041000 18.347093 -4.656929 16.324510 6.977320 0.539935 -3.542140
|
|
877 877 1 -0.000000 32.041000 13.010983 3.224165 14.237899 -4.888220 1.143730 3.110520
|
|
878 878 1 -0.000000 32.041000 17.098885 7.919902 17.571485 4.102560 -0.551620 -0.113000
|
|
879 879 1 -0.000000 32.041000 9.607777 16.566221 -15.726765 3.312970 -4.093350 -0.731070
|
|
880 880 1 -0.000000 32.041000 7.372596 8.557561 -16.199315 -3.340960 3.108069 -14.055560
|
|
881 881 1 -0.000000 32.041000 7.298160 18.343497 -16.829429 -2.884340 1.923100 3.454853
|
|
882 882 1 -0.000000 32.041000 1.543388 13.229666 -18.251505 0.165470 0.383050 1.468400
|
|
883 883 1 -0.000000 32.041000 9.747328 11.186696 -14.272059 -0.035320 5.106210 2.748040
|
|
884 884 1 -0.000000 32.041000 9.070051 11.166218 -17.456120 -0.655888 0.550499 -5.007120
|
|
885 885 1 -0.000000 32.041000 1.219210 17.373979 -12.213582 -4.901840 -4.169480 -4.177550
|
|
886 886 1 -0.000000 32.041000 5.562435 14.624794 -17.520926 -0.335290 7.391340 7.122210
|
|
887 887 1 0.000000 32.041000 2.936597 7.883426 -13.529699 3.582320 2.887580 0.852103
|
|
888 888 1 -0.000000 32.041000 5.225756 16.184768 -10.917624 -1.472100 -0.745581 -2.518230
|
|
889 889 1 -0.000000 32.041000 2.512445 8.644275 -18.514995 -4.264980 10.497640 -5.785610
|
|
890 890 1 -0.000000 32.041000 5.508498 11.861875 -15.731541 -0.759370 -4.602720 -0.457570
|
|
891 891 1 -0.000000 32.041000 9.514610 14.328456 -13.062667 -1.246850 -0.557310 0.367002
|
|
892 892 1 -0.000000 32.041000 12.524955 7.978682 -13.564418 -1.563140 -2.057800 7.000370
|
|
893 893 1 -0.000000 32.041000 14.128375 17.039691 -11.269086 -7.923390 -2.775700 2.576470
|
|
894 894 1 -0.000000 32.041000 7.219395 14.040374 20.057928 -4.767560 -0.576279 -2.306700
|
|
895 895 1 -0.000000 32.041000 12.528612 9.906493 -10.848949 3.196580 10.808030 -2.939120
|
|
896 896 1 -0.000000 32.041000 8.589203 18.419667 20.513956 3.498520 -2.863780 -1.930253
|
|
897 897 1 -0.000000 32.041000 1.236061 13.007971 -11.079473 -10.052096 1.426100 -2.650402
|
|
898 898 1 -0.000000 32.041000 3.765102 15.835223 -19.888350 -3.248010 -0.281310 -0.626890
|
|
899 899 1 -0.000000 32.041000 13.049889 20.332176 -18.216642 -1.800510 0.413500 5.486583
|
|
900 900 1 -0.000000 32.041000 18.048880 14.790815 -19.861595 2.398062 -2.547820 -0.295420
|
|
901 901 1 -0.000000 32.041000 12.421147 19.694999 -11.805370 -0.575210 0.642990 -4.302070
|
|
902 902 1 -0.000000 32.041000 19.409052 12.197558 -13.701075 -0.253497 1.079290 4.655960
|
|
903 903 1 -0.000000 32.041000 17.005000 19.092926 -17.410876 5.113021 2.733360 2.304200
|
|
904 904 1 -0.000000 32.041000 16.981506 8.599937 -11.941102 -2.467320 -0.443150 -0.738670
|
|
905 905 1 0.000000 32.041000 4.164531 11.762105 -10.626339 13.880580 3.622093 -0.591470
|
|
906 906 1 -0.000000 32.041000 14.046822 12.427308 -18.347579 -2.064343 3.747279 -0.442950
|
|
907 907 1 -0.000000 32.041000 14.324700 15.571356 -16.081294 0.895543 -1.963860 0.681120
|
|
908 908 1 -0.000000 32.041000 18.087015 10.677554 -16.241201 0.814060 -3.128080 -1.722696
|
|
909 909 1 -0.000000 32.041000 19.491283 17.956252 -11.043622 7.599270 5.138470 -0.629230
|
|
910 910 1 -0.000000 32.041000 14.864576 9.426842 -19.436782 -1.867910 -7.828880 3.779084
|
|
911 911 1 -0.000000 32.041000 14.843177 11.494427 -13.314190 1.689510 -4.760970 3.165627
|
|
912 912 1 -0.000000 32.041000 16.953235 16.647320 -12.283035 4.654180 -4.501250 -4.369455
|
|
913 913 1 -0.000000 32.041000 15.410591 17.558363 19.649524 -0.022582 -0.534411 -3.984390
|
|
914 914 1 -0.000000 32.041000 15.957646 19.799862 -7.954915 0.200570 -0.620686 -1.045901
|
|
915 915 1 -0.000000 32.041000 2.949498 9.150127 -6.506213 1.424830 3.157800 -0.612962
|
|
916 916 1 -0.000000 32.041000 6.095942 15.607268 -3.703570 -3.300130 1.447740 -0.234250
|
|
917 917 1 -0.000000 32.041000 8.589342 15.536108 -8.386573 -1.091610 -0.447043 -0.290570
|
|
918 918 1 -0.000000 32.041000 2.950533 19.254559 -6.513438 -2.068240 14.041210 -16.629670
|
|
919 919 1 -0.000000 32.041000 2.836731 16.721762 -4.800445 1.597510 -10.996450 18.518890
|
|
920 920 1 -0.000000 32.041000 9.998384 19.704736 -2.874175 13.007910 -4.477910 4.865760
|
|
921 921 1 -0.000000 32.041000 5.376501 11.139173 -7.714047 -2.139290 -5.829580 8.240360
|
|
922 922 1 -0.000000 32.041000 4.447221 17.324476 -0.973676 -2.317820 -9.186457 -0.016020
|
|
923 923 1 -0.000000 32.041000 4.803192 18.868418 -9.073184 6.416490 7.323170 -0.226708
|
|
924 924 1 -0.000000 32.041000 4.028265 14.554195 -8.217172 0.955184 -6.514000 -0.616285
|
|
925 925 1 0.000000 32.041000 16.936323 13.229096 -8.487175 -18.843338 8.940705 -2.852520
|
|
926 926 1 -0.000000 32.041000 6.308036 8.719339 0.549067 0.515330 6.306680 0.233430
|
|
927 927 1 -0.000000 32.041000 7.327489 11.035841 -3.272851 2.655100 -4.246957 0.491540
|
|
928 928 1 -0.000000 32.041000 10.633934 14.320182 -2.684177 -14.851850 -0.840770 -2.754180
|
|
929 929 1 -0.000000 32.041000 13.117290 19.605850 -1.096412 -2.710350 5.034576 -3.220551
|
|
930 930 1 -0.000000 32.041000 19.240714 11.394946 -7.862036 16.324070 -7.851987 5.968120
|
|
931 931 1 -0.000000 32.041000 8.045799 13.108711 -0.426655 -0.113663 0.792160 0.318020
|
|
932 932 1 -0.000000 32.041000 11.433842 10.896884 0.434676 1.603960 1.848790 3.211320
|
|
933 933 1 -0.000000 32.041000 16.196243 11.620649 -2.354360 -9.122519 -3.104663 2.791660
|
|
934 934 1 -0.000000 32.041000 15.984694 7.834165 -8.834483 11.279470 0.829360 -3.480800
|
|
935 935 1 -0.000000 32.041000 13.388906 16.443544 -5.071181 -0.202670 7.633940 -0.054688
|
|
936 936 1 -0.000000 32.041000 15.130732 10.858068 0.679233 0.508538 -3.490650 0.467278
|
|
937 937 1 -0.000000 32.041000 13.464734 14.916773 -1.598365 10.162823 -4.829827 6.835550
|
|
938 938 1 -0.000000 32.041000 15.884492 9.521722 -4.840460 -0.220600 5.571650 0.876990
|
|
939 939 1 -0.000000 32.041000 16.805056 17.699796 -2.251437 -0.333037 -4.725100 -3.934380
|
|
940 940 1 -0.000000 32.041000 16.664481 17.399566 -5.547890 5.285620 3.849807 3.219309
|
|
941 941 1 -0.000000 32.041000 14.188944 13.539528 -6.531792 0.160460 -7.763043 -3.229810
|
|
942 942 1 -0.000000 32.041000 8.800505 17.586775 -0.112608 6.931020 1.170620 -1.733380
|
|
943 943 1 -0.000000 32.041000 2.002700 14.608024 6.699566 16.150490 -4.196060 -9.569870
|
|
944 944 1 -0.000000 32.041000 8.308244 11.563953 4.403074 1.273370 -5.561150 4.143800
|
|
945 945 1 -0.000000 32.041000 7.863090 8.647384 7.495968 -3.050832 -1.757350 4.548217
|
|
946 946 1 -0.000000 32.041000 4.718768 13.523249 8.256694 -1.437230 -1.375820 -3.209730
|
|
947 947 1 -0.000000 32.041000 4.765424 8.606358 8.659535 1.083120 -2.906890 -3.741700
|
|
948 948 1 -0.000000 32.041000 6.233437 16.814037 4.739019 -3.587230 -3.285140 1.098580
|
|
949 949 1 -0.000000 32.041000 3.855819 10.265136 4.974327 8.024020 -0.175660 -12.680100
|
|
950 950 1 -0.000000 32.041000 5.651476 13.367551 3.731730 -0.926860 8.921750 -5.379090
|
|
951 951 1 -0.000000 32.041000 3.032710 18.198120 3.920511 4.517351 1.938070 1.955070
|
|
952 952 1 -0.000000 32.041000 2.003304 19.183411 6.944393 0.942970 -2.657070 -4.956524
|
|
953 953 1 -0.000000 32.041000 5.416458 17.603748 9.626889 1.811310 -2.846070 -0.973890
|
|
954 954 1 -0.000000 32.041000 1.310994 10.274075 7.021075 -12.481330 -3.486785 6.872370
|
|
955 955 1 -0.000000 32.041000 8.563064 18.715410 8.371048 -2.616210 3.254970 1.936970
|
|
956 956 1 -0.000000 32.041000 18.466234 15.287291 1.899337 7.767349 1.915770 -2.719082
|
|
957 957 1 -0.000000 32.041000 12.824293 15.791492 11.217429 10.817010 6.489560 0.164881
|
|
958 958 1 -0.000000 32.041000 2.084190 10.225221 1.584499 7.687180 -6.289510 7.313470
|
|
959 959 1 -0.000000 32.041000 11.052147 18.147267 2.862765 -4.615840 -1.418620 -2.063840
|
|
960 960 1 0.000000 32.041000 12.013239 13.593441 2.733450 -2.903400 -0.366151 2.221331
|
|
961 961 1 -0.000000 32.041000 13.297062 9.449835 3.683698 -2.611920 1.392470 -1.228440
|
|
962 962 1 -0.000000 32.041000 19.441818 10.821664 1.002603 -0.401290 -1.965300 1.773990
|
|
963 963 1 -0.000000 32.041000 13.739378 18.163266 7.329581 -0.293690 0.616360 -2.063010
|
|
964 964 1 -0.000000 32.041000 18.139450 19.566268 1.957150 -0.421980 4.069130 0.514650
|
|
965 965 1 -0.000000 32.041000 18.324912 11.418619 8.533937 0.289210 5.014490 -0.872509
|
|
966 966 1 -0.000000 32.041000 11.677280 11.694367 7.126277 3.666649 -0.182510 0.419183
|
|
967 967 1 -0.000000 32.041000 14.370408 9.901670 8.916607 -4.653840 -1.897400 1.572860
|
|
968 968 1 -0.000000 32.041000 18.187984 12.430878 3.604057 -2.651723 -2.327020 -2.473030
|
|
969 969 1 -0.000000 32.041000 16.393047 14.169768 7.481396 -2.182820 -2.970362 1.606190
|
|
970 970 1 -0.000000 32.041000 16.925730 18.423575 9.035313 -2.303800 -7.582190 -1.383100
|
|
971 971 1 -0.000000 32.041000 18.155220 16.445467 6.365408 3.525013 1.837230 1.854200
|
|
972 972 1 -0.000000 32.041000 13.736351 16.159059 2.337159 4.528650 3.454180 -1.738192
|
|
973 973 1 -0.000000 32.041000 9.596308 9.983054 11.431097 10.324660 1.370410 -1.570140
|
|
974 974 1 0.000000 32.041000 18.702341 10.481005 11.678075 -2.492133 3.574830 7.019859
|
|
975 975 1 -0.000000 32.041000 6.114657 18.238152 16.824774 -2.191110 -1.050390 -0.008630
|
|
976 976 1 -0.000000 32.041000 3.698784 13.630112 11.711978 8.712530 -0.029612 2.413400
|
|
977 977 1 -0.000000 32.041000 3.865138 8.623397 13.007767 -2.273760 -3.265470 1.569000
|
|
978 978 1 -0.000000 32.041000 3.168873 17.186082 15.552512 2.228551 -4.764707 2.711340
|
|
979 979 1 -0.000000 32.041000 6.290715 9.546209 15.111057 -0.199160 4.393669 -2.365910
|
|
980 980 1 -0.000000 32.041000 13.354702 7.907481 13.379615 -8.277230 1.891950 -3.568480
|
|
981 981 1 -0.000000 32.041000 7.085845 11.476812 12.204051 -6.083940 -2.597650 1.507490
|
|
982 982 1 -0.000000 32.041000 2.734524 20.096588 18.630190 -2.394120 -3.064040 2.822010
|
|
983 983 1 -0.000000 32.041000 8.211354 9.768838 18.899069 -3.731320 -0.012690 3.021320
|
|
984 984 1 0.000000 32.041000 3.940657 13.718895 18.832773 3.654680 -4.040551 -1.349940
|
|
985 985 1 -0.000000 32.041000 6.345658 15.750200 12.254303 -4.364370 1.989460 -4.573030
|
|
986 986 1 -0.000000 32.041000 8.044786 19.392918 13.695575 4.150430 -7.158910 1.597729
|
|
987 987 1 -0.000000 32.041000 9.752416 10.292292 14.982001 -3.169770 -1.882539 4.213070
|
|
988 988 1 0.000000 32.041000 7.721301 14.270028 16.569026 0.962270 -4.043450 0.280670
|
|
989 989 1 -0.000000 32.041000 10.167922 14.391203 11.381926 -14.691640 -2.746354 0.309270
|
|
990 990 1 -0.000000 32.041000 9.838477 16.036609 15.057835 9.679459 0.084410 2.626020
|
|
991 991 1 -0.000000 32.041000 17.737941 19.805253 15.624663 -5.188710 -4.633250 1.196938
|
|
992 992 1 -0.000000 32.041000 17.690953 15.892586 12.390148 4.107510 -1.921100 -0.326280
|
|
993 993 1 -0.000000 32.041000 13.087692 10.001894 17.129895 -8.435591 2.246430 -5.735790
|
|
994 994 1 -0.000000 32.041000 10.641249 13.730466 19.613292 3.768986 -0.461710 -1.605772
|
|
995 995 1 -0.000000 32.041000 13.253607 12.468000 14.408066 -4.591090 2.864160 0.167680
|
|
996 996 1 -0.000000 32.041000 12.273462 16.941173 17.324198 -2.721890 -2.133702 1.167088
|
|
997 997 1 0.000000 32.041000 14.626130 18.179224 15.412060 8.132450 0.518657 3.694818
|
|
998 998 1 -0.000000 32.041000 17.939619 14.765574 16.075234 5.071930 15.286339 5.158020
|
|
999 999 1 -0.000000 32.041000 17.143247 11.753616 14.981683 5.363450 -12.513280 -15.231680
|
|
1000 1000 1 -0.000000 32.041000 15.794344 11.024330 18.531843 7.325964 5.920940 9.721682
|
|
ITEM: TIMESTEP
|
|
4000
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -16.188226 -9.123084 -17.817295 4.245450 -3.851479 -3.336456
|
|
2 2 1 -0.000000 32.041000 -15.441742 -7.244690 -15.460150 7.422466 4.065729 0.047560
|
|
3 3 1 0.000000 32.041000 -9.706602 -13.896245 -18.247866 0.356350 -0.236775 -2.043610
|
|
4 4 1 -0.000000 32.041000 -0.626440 -11.169779 -10.867675 1.699770 -1.563620 9.016180
|
|
5 5 1 -0.000000 32.041000 -10.935044 -9.892586 -18.439538 -2.112280 1.776821 0.607360
|
|
6 6 1 -0.000000 32.041000 -16.563136 -10.454831 -13.440318 2.664000 -3.370790 9.177684
|
|
7 7 1 -0.000000 32.041000 -19.259285 -11.872555 -14.206674 -4.884470 2.865600 2.815130
|
|
8 8 1 -0.000000 32.041000 -15.550248 -15.204730 -13.853855 -6.031990 0.530590 5.832620
|
|
9 9 1 -0.000000 32.041000 -11.372773 -17.632001 -13.518537 -5.084290 0.227810 3.433930
|
|
10 10 1 -0.000000 32.041000 -12.471621 -11.837314 -13.019624 -1.157810 1.605845 -2.664160
|
|
11 11 1 -0.000000 32.041000 -19.959966 -15.241441 -13.686971 -0.674420 -4.673610 2.480250
|
|
12 12 1 -0.000000 32.041000 -11.996597 -7.619540 -14.806553 1.346680 -3.025086 -3.582666
|
|
13 13 1 -0.000000 32.041000 -14.588013 -18.275286 -11.597271 3.531430 -0.575500 -2.504170
|
|
14 14 1 -0.000000 32.041000 0.845394 -16.489774 -10.783668 1.861794 1.303210 2.576206
|
|
15 15 1 -0.000000 32.041000 -4.706159 -16.366709 -19.005982 0.401160 -8.848980 1.404755
|
|
16 16 1 -0.000000 32.041000 -17.079053 -18.046503 -17.607151 -1.770240 1.883547 -5.374240
|
|
17 17 1 -0.000000 32.041000 -9.139543 -7.994686 -11.118799 -6.784750 -5.538440 3.544940
|
|
18 18 1 -0.000000 32.041000 -17.825149 -14.045276 -20.002307 6.605780 -9.509890 -11.572490
|
|
19 19 1 -0.000000 32.041000 -20.266497 -11.577281 -18.325516 -14.971350 7.951480 6.116946
|
|
20 20 1 0.000000 32.041000 -13.393315 -20.293285 -16.732398 5.807290 -2.864200 -0.069960
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995 995 1 -0.000000 32.041000 12.616519 12.573388 14.293777 -1.066570 2.962040 2.223630
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|
996 996 1 -0.000000 32.041000 12.713204 17.030778 17.935684 -4.617730 0.050530 -2.408040
|
|
997 997 1 0.000000 32.041000 14.108556 17.352558 15.161687 2.104791 2.288210 0.399101
|
|
998 998 1 -0.000000 32.041000 17.581232 14.840418 16.492876 0.874870 11.490790 7.578240
|
|
999 999 1 -0.000000 32.041000 17.671934 12.027272 14.954165 -1.630463 -14.360600 -11.067920
|
|
1000 1000 1 -0.000000 32.041000 16.427320 11.879545 19.209804 -0.497780 -2.996060 1.230438
|
|
ITEM: TIMESTEP
|
|
4250
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -16.283547 -9.191023 -17.577356 -0.022687 -0.849467 -6.318190
|
|
2 2 1 -0.000000 32.041000 0.370774 -17.065640 -10.797798 0.515580 2.618528 0.589016
|
|
3 3 1 -0.000000 32.041000 -10.083598 -14.066430 -17.430032 -0.190649 1.867380 -2.089509
|
|
4 4 1 -0.000000 32.041000 -15.664854 -6.349010 -15.718643 -3.577257 -3.840899 4.261300
|
|
5 5 1 -0.000000 32.041000 -11.149355 -10.096986 -18.112447 -5.343770 1.938640 -3.649781
|
|
6 6 1 -0.000000 32.041000 -16.374548 -9.698932 -12.893061 8.224700 0.834698 -1.408105
|
|
7 7 1 -0.000000 32.041000 -19.088398 -11.313567 -13.738482 -7.567730 -9.298260 -8.654180
|
|
8 8 1 -0.000000 32.041000 -16.117612 -14.837161 -12.357247 7.903864 -0.878553 -0.448000
|
|
9 9 1 -0.000000 32.041000 -11.436793 -17.848464 -13.244175 1.084590 -4.987700 -5.910270
|
|
10 10 1 -0.000000 32.041000 -12.113292 -11.871113 -12.323739 -10.682480 0.003450 5.789840
|
|
11 11 1 -0.000000 32.041000 -20.302222 -15.028658 -13.407411 -1.405540 -1.751810 -3.597795
|
|
12 12 1 -0.000000 32.041000 -8.274058 -14.899404 -10.033744 5.992854 4.114650 -1.611550
|
|
13 13 1 -0.000000 32.041000 -15.011986 -18.116391 -12.444722 -1.197080 4.253111 0.046985
|
|
14 14 1 -0.000000 32.041000 -17.164693 -18.212728 -18.298311 -3.314420 2.412150 5.114128
|
|
15 15 1 -0.000000 32.041000 -12.541084 19.983038 -13.548203 -3.019968 -8.401750 -1.788000
|
|
16 16 1 0.000000 32.041000 -20.535133 -11.572654 -18.340645 0.051229 1.881590 0.784170
|
|
17 17 1 -0.000000 32.041000 -13.248255 -19.328726 -16.349046 2.248240 -9.380760 -2.728040
|
|
18 18 1 -0.000000 32.041000 -17.965849 -13.870547 -20.586620 9.585030 8.872480 2.836520
|
|
19 19 1 -0.000000 32.041000 -14.672621 -10.054248 20.424067 -0.069480 11.723450 5.173833
|
|
20 20 1 -0.000000 32.041000 -17.764539 -9.475375 -10.011674 -1.073120 0.290341 7.458460
|
|
21 21 1 -0.000000 32.041000 -4.140253 -10.845230 -19.631375 7.558839 5.987150 -1.635890
|
|
22 22 1 -0.000000 32.041000 -14.304380 -14.971951 -15.454899 -1.483782 3.588403 0.738990
|
|
23 23 1 0.000000 32.041000 -20.266929 20.314965 -19.734675 -1.727763 0.063935 3.697960
|
|
24 24 1 -0.000000 32.041000 -8.407603 -13.864648 -20.242171 3.910990 0.218719 1.278820
|
|
25 25 1 -0.000000 32.041000 -20.186851 -6.332060 -17.199571 1.736880 0.718780 3.193674
|
|
26 26 1 -0.000000 32.041000 -3.587659 -11.179468 -9.997311 -8.874750 -5.659148 -5.330430
|
|
27 27 1 -0.000000 32.041000 -15.696469 19.943376 -19.823443 1.904335 3.212790 3.142630
|
|
28 28 1 0.000000 32.041000 -14.744725 -12.927872 -19.322865 -4.514990 -9.305730 0.255090
|
|
29 29 1 -0.000000 32.041000 20.270755 -16.452545 -16.353860 -7.558108 4.971120 -5.717153
|
|
30 30 1 -0.000000 32.041000 -18.630527 -6.622059 -12.540880 -4.248135 1.738030 -1.447070
|
|
31 31 1 -0.000000 32.041000 -18.990365 -19.306374 -13.956746 11.036880 -4.261050 0.211180
|
|
32 32 1 -0.000000 32.041000 -19.361204 -12.621301 -10.084122 0.204690 1.847590 10.183870
|
|
33 33 1 -0.000000 32.041000 -5.483933 -6.939715 -18.700496 4.619450 9.345570 -1.254930
|
|
34 34 1 -0.000000 32.041000 -10.204441 -6.028348 -16.804960 5.028070 2.371690 4.519670
|
|
35 35 1 0.000000 32.041000 -13.391228 -5.697753 -19.637019 -5.908887 -3.336270 -3.348070
|
|
36 36 1 -0.000000 32.041000 -11.245490 -15.756415 -11.130390 -2.815020 5.510330 6.878978
|
|
37 37 1 -0.000000 32.041000 -12.633377 -7.520308 -14.911530 6.555170 0.490520 -0.270680
|
|
38 38 1 0.000000 32.041000 -9.619527 -11.556964 -14.254037 12.667640 3.239881 -1.379743
|
|
39 39 1 -0.000000 32.041000 -8.899006 -7.720407 -11.071393 -6.341570 5.090565 -8.431770
|
|
40 40 1 -0.000000 32.041000 -10.070142 -18.373022 -18.992914 -0.420680 0.210736 -2.245050
|
|
41 41 1 -0.000000 32.041000 -18.759799 -20.238951 -9.848843 -4.818600 -0.871339 -9.155930
|
|
42 42 1 -0.000000 32.041000 -1.349040 -7.633598 -11.946930 -6.632930 -0.941370 4.212906
|
|
43 43 1 -0.000000 32.041000 -2.462679 -20.489312 -12.827268 4.381100 0.460804 3.181690
|
|
44 44 1 -0.000000 32.041000 -0.429493 -10.718657 -10.375095 9.255957 9.169202 7.809060
|
|
45 45 1 -0.000000 32.041000 -11.471843 19.382899 -17.675766 0.268230 -4.088571 1.715110
|
|
46 46 1 -0.000000 32.041000 -4.817132 -16.662175 -19.725288 1.667870 -4.981100 1.186500
|
|
47 47 1 -0.000000 32.041000 -4.652031 -13.881083 19.847447 -3.731340 -4.619660 -1.949270
|
|
48 48 1 -0.000000 32.041000 -6.544320 -9.936097 -13.208505 3.743570 -3.390400 0.518000
|
|
49 49 1 -0.000000 32.041000 -1.756824 -14.302972 -17.966200 3.512768 -0.110898 -0.491100
|
|
50 50 1 -0.000000 32.041000 -8.949600 -11.505345 -9.925290 3.937460 -8.280590 -1.191260
|
|
51 51 1 0.000000 32.041000 -1.254039 -17.984008 -17.353192 9.920115 0.116380 -10.032451
|
|
52 52 1 -0.000000 32.041000 -6.235265 -18.995883 -10.674426 -2.403750 -0.939890 0.377580
|
|
53 53 1 -0.000000 32.041000 0.894846 -7.606711 -19.004329 1.875107 1.268680 2.395757
|
|
54 54 1 -0.000000 32.041000 -8.019960 -17.476327 -16.268079 4.613630 -2.059620 4.527830
|
|
55 55 1 -0.000000 32.041000 -1.891477 -9.507978 -15.604743 -1.929595 2.116090 -0.212126
|
|
56 56 1 0.000000 32.041000 -3.432265 -16.659419 -15.003831 -3.785270 3.740140 6.343880
|
|
57 57 1 -0.000000 32.041000 -2.585709 -6.038056 -17.086325 2.687000 -5.158760 1.444490
|
|
58 58 1 -0.000000 32.041000 -4.663451 -13.699812 -12.212077 -2.094960 -0.473930 5.527236
|
|
59 59 1 -0.000000 32.041000 -5.407637 -12.675198 -16.584436 2.934865 -0.202190 -2.061224
|
|
60 60 1 -0.000000 32.041000 -5.101211 -19.400184 -16.256605 0.086310 -0.743808 7.811680
|
|
61 61 1 -0.000000 32.041000 -6.920900 -9.826792 -17.862470 -6.737780 -7.286680 1.422850
|
|
62 62 1 0.000000 32.041000 0.910761 -13.161788 -14.022450 3.862550 1.427369 -6.607515
|
|
63 63 1 0.000000 32.041000 -12.151741 -10.134221 -9.307193 -8.195545 -1.793790 -8.717270
|
|
64 64 1 -0.000000 32.041000 -19.154451 -10.199399 20.154800 -1.415570 -3.496640 -1.295550
|
|
65 65 1 0.000000 32.041000 -15.095857 -16.499011 -8.274246 -1.309507 0.796391 1.078130
|
|
66 66 1 -0.000000 32.041000 -17.337770 -16.101170 -4.208897 0.901241 -4.927710 -1.524863
|
|
67 67 1 -0.000000 32.041000 -16.239037 -11.104718 -2.255650 2.529710 -0.168800 4.331680
|
|
68 68 1 -0.000000 32.041000 -14.564925 -8.965251 -5.161874 -3.074720 1.565290 -8.258340
|
|
69 69 1 0.000000 32.041000 -15.710396 -11.312530 -7.621813 0.884730 5.065790 -1.230410
|
|
70 70 1 -0.000000 32.041000 -12.339963 -16.300723 -6.571573 -2.165100 -2.909430 -0.567203
|
|
71 71 1 -0.000000 32.041000 -14.261911 -17.772505 -4.209204 -5.198280 8.515110 -0.042900
|
|
72 72 1 -0.000000 32.041000 -10.771837 -11.599893 -6.366212 3.663500 3.953600 6.123310
|
|
73 73 1 0.000000 32.041000 -13.299799 -12.842430 -3.158301 -1.918280 -1.101390 -0.754730
|
|
74 74 1 0.000000 32.041000 -6.090563 -19.828197 -3.116598 9.421733 6.606755 7.669820
|
|
75 75 1 -0.000000 32.041000 -16.214625 20.341165 -6.735690 3.914634 0.895820 -5.444630
|
|
76 76 1 0.000000 32.041000 -19.191499 -13.395583 -6.630752 -2.094430 0.914670 -4.089570
|
|
77 77 1 0.000000 32.041000 -19.817414 -8.221587 -5.998495 0.097470 -4.607890 -0.753790
|
|
78 78 1 -0.000000 32.041000 -10.583342 -18.263466 -8.821369 2.826348 -2.857110 1.445300
|
|
79 79 1 -0.000000 32.041000 -20.269491 -11.569596 -2.263652 -3.248390 7.403760 -4.750700
|
|
80 80 1 -0.000000 32.041000 -19.581773 -7.666813 -1.316794 2.108110 -2.364170 1.512620
|
|
81 81 1 -0.000000 32.041000 -19.197853 -18.386350 -6.418345 2.751545 17.218870 1.218720
|
|
82 82 1 -0.000000 32.041000 -12.880779 19.248835 -3.665482 5.158530 7.611870 -6.045450
|
|
83 83 1 -0.000000 32.041000 -17.512171 -20.257200 -1.460859 1.298320 -3.228560 2.184770
|
|
84 84 1 -0.000000 32.041000 -20.086795 -19.861811 -3.487664 -1.310615 -6.000500 5.882682
|
|
85 85 1 -0.000000 32.041000 -13.595690 -7.884015 -0.699331 2.392090 -4.137060 -0.019940
|
|
86 86 1 -0.000000 32.041000 -13.751404 19.963587 -9.103306 -2.275460 -2.634630 1.538760
|
|
87 87 1 -0.000000 32.041000 -16.424338 -7.100384 -1.423041 -6.598680 -0.252193 -3.187397
|
|
88 88 1 -0.000000 32.041000 -17.092436 -6.676214 -6.739407 6.898430 -1.117500 -2.047860
|
|
89 89 1 -0.000000 32.041000 -9.583846 -6.614886 -3.928711 0.770317 -2.265210 -3.139830
|
|
90 90 1 -0.000000 32.041000 -10.034344 -17.903804 -4.149187 1.258804 -1.893530 0.542690
|
|
91 91 1 -0.000000 32.041000 -9.953263 -8.126801 -7.258351 0.832010 4.969870 9.546680
|
|
92 92 1 0.000000 32.041000 -17.627975 -15.452737 0.154342 -0.473110 0.906740 -0.002520
|
|
93 93 1 -0.000000 32.041000 -4.771406 -7.067322 -9.540655 3.287340 -0.917200 -2.710980
|
|
94 94 1 -0.000000 32.041000 -12.504820 -16.121491 -0.037023 -0.449140 -0.163180 1.327350
|
|
95 95 1 -0.000000 32.041000 -6.256603 -6.079567 -1.252787 -1.041290 -2.705230 1.812380
|
|
96 96 1 0.000000 32.041000 0.496413 -13.368170 -2.635202 4.343320 -0.582320 5.930790
|
|
97 97 1 0.000000 32.041000 -0.219909 -8.655812 -7.518597 1.916790 -6.240849 -5.379620
|
|
98 98 1 -0.000000 32.041000 -7.451280 -11.694435 -6.662221 -3.401040 5.185020 1.680100
|
|
99 99 1 -0.000000 32.041000 -1.019047 -17.756637 -5.814359 6.693067 -3.789570 4.326836
|
|
100 100 1 -0.000000 32.041000 -2.470437 19.942763 -9.040468 -5.367200 3.312721 -3.023089
|
|
101 101 1 -0.000000 32.041000 -2.360319 -7.311150 -2.504926 2.117870 3.049640 4.337997
|
|
102 102 1 -0.000000 32.041000 -3.845781 -17.738518 -8.280326 0.774300 -1.504190 -7.232449
|
|
103 103 1 -0.000000 32.041000 -6.654544 -15.885745 -6.333251 -1.956000 -2.557092 5.527785
|
|
104 104 1 -0.000000 32.041000 -6.721236 -14.637557 -1.313658 0.089030 -4.670229 2.682620
|
|
105 105 1 -0.000000 32.041000 -3.301410 -14.797588 -3.876776 -5.053270 3.368311 2.348500
|
|
106 106 1 -0.000000 32.041000 -1.243817 -13.947795 -6.770613 4.076740 -4.324040 -5.052350
|
|
107 107 1 -0.000000 32.041000 -8.795995 -10.982377 -2.526024 1.407640 -2.410071 -4.075833
|
|
108 108 1 -0.000000 32.041000 -1.634503 -19.735363 0.611444 6.683310 7.890690 -16.574360
|
|
109 109 1 -0.000000 32.041000 -0.782614 -13.837634 0.413671 0.918012 -6.055206 -2.960130
|
|
110 110 1 -0.000000 32.041000 -5.578658 -8.987819 -7.110801 -4.341772 1.853163 0.122410
|
|
111 111 1 0.000000 32.041000 -2.346495 -11.308343 -3.375443 -5.121880 -7.977950 -1.662800
|
|
112 112 1 -0.000000 32.041000 -7.542502 -20.142063 -6.014478 -7.130960 3.242710 -12.808013
|
|
113 113 1 -0.000000 32.041000 -4.843060 -11.708955 -1.241751 1.478760 4.126450 4.520090
|
|
114 114 1 -0.000000 32.041000 -6.204422 -20.566035 0.611030 -3.063800 -2.067530 4.228550
|
|
115 115 1 -0.000000 32.041000 -19.431563 -17.006219 5.586927 5.882640 -5.794310 0.511240
|
|
116 116 1 -0.000000 32.041000 -16.788103 -19.203145 6.229044 -2.023340 10.791710 -7.877373
|
|
117 117 1 -0.000000 32.041000 -17.366638 -17.675659 2.623399 -1.966090 2.717520 4.080620
|
|
118 118 1 0.000000 32.041000 -5.179991 -16.127105 1.471452 -3.376750 2.124480 -3.796830
|
|
119 119 1 -0.000000 32.041000 -15.369102 -15.053064 5.237925 5.422670 1.270346 -4.226410
|
|
120 120 1 -0.000000 32.041000 -11.132800 -9.874041 5.442761 -4.512280 2.763409 -10.217030
|
|
121 121 1 -0.000000 32.041000 -15.050135 -10.752594 1.012564 0.022320 2.440440 -4.900300
|
|
122 122 1 -0.000000 32.041000 -13.990274 -12.508858 7.137682 0.362450 -4.914770 -7.832160
|
|
123 123 1 -0.000000 32.041000 -14.275923 -16.764860 8.114672 0.602440 -1.889700 0.907430
|
|
124 124 1 -0.000000 32.041000 -16.445350 -10.393645 8.280689 11.415040 10.328120 3.029390
|
|
125 125 1 -0.000000 32.041000 -17.111587 -11.364877 4.512304 0.309470 -2.286210 1.492830
|
|
126 126 1 -0.000000 32.041000 -16.565240 20.353365 9.966259 1.627788 3.274479 11.423199
|
|
127 127 1 -0.000000 32.041000 -18.176324 -7.460513 2.591962 1.041579 0.618220 -0.552288
|
|
128 128 1 -0.000000 32.041000 -19.875847 -12.641049 0.993612 10.478110 -5.580930 4.536117
|
|
129 129 1 -0.000000 32.041000 -11.226274 -10.601023 2.235270 -4.946520 0.083430 4.322570
|
|
130 130 1 -0.000000 32.041000 -11.433319 -16.880479 3.996224 -2.079390 -3.406140 -0.224557
|
|
131 131 1 -0.000000 32.041000 -18.125863 -12.909751 7.404577 -15.191065 -8.586810 2.208394
|
|
132 132 1 0.000000 32.041000 -17.470739 -7.422836 5.752492 3.099110 4.179680 0.675076
|
|
133 133 1 -0.000000 32.041000 -6.625077 -10.487654 9.913068 -1.940019 4.832030 -3.838490
|
|
134 134 1 -0.000000 32.041000 -0.007333 -18.284513 7.151371 -2.631281 -0.505000 0.063835
|
|
135 135 1 -0.000000 32.041000 -13.575014 -13.202676 10.376860 -0.917000 3.222350 0.285847
|
|
136 136 1 -0.000000 32.041000 -13.226264 -20.515635 3.165988 7.069078 -1.690216 -0.036220
|
|
137 137 1 -0.000000 32.041000 -13.139707 -6.471766 2.209946 3.205280 -0.127300 3.895900
|
|
138 138 1 -0.000000 32.041000 -10.419648 -18.533209 1.047833 4.323658 3.083690 -2.976440
|
|
139 139 1 0.000000 32.041000 -10.027816 -18.292590 7.965532 1.904900 1.407560 -3.440995
|
|
140 140 1 -0.000000 32.041000 20.521540 -9.290502 4.313117 -9.252700 -0.523440 1.764720
|
|
141 141 1 -0.000000 32.041000 -20.594316 -18.064364 0.743659 -3.092940 5.420999 -3.710170
|
|
142 142 1 0.000000 32.041000 -12.300213 -9.776972 9.455511 1.951690 -5.530668 11.860970
|
|
143 143 1 -0.000000 32.041000 -3.690872 -6.098712 10.101158 3.395130 -1.425860 0.446215
|
|
144 144 1 -0.000000 32.041000 -18.827771 -6.473372 8.765240 -0.516243 3.962710 0.040570
|
|
145 145 1 0.000000 32.041000 -9.681524 -14.805462 7.936113 -1.650500 -1.294180 -7.991495
|
|
146 146 1 -0.000000 32.041000 -7.903740 -7.456005 8.814620 -0.652190 -3.408880 1.052080
|
|
147 147 1 -0.000000 32.041000 -0.995967 -11.275445 2.344949 1.539080 8.249770 4.565870
|
|
148 148 1 0.000000 32.041000 -0.932873 -15.112296 8.842792 -4.821920 -5.031570 -2.338923
|
|
149 149 1 -0.000000 32.041000 -0.231881 -6.831805 4.153122 0.233154 -0.358999 -0.495876
|
|
150 150 1 -0.000000 32.041000 -3.837436 -13.656920 3.473772 0.547320 -3.324692 -0.027480
|
|
151 151 1 -0.000000 32.041000 -8.412518 -20.527319 5.752181 -2.931072 -1.176736 -0.178245
|
|
152 152 1 -0.000000 32.041000 -4.736758 -17.949260 7.949004 -0.812190 2.613870 -0.456160
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|
966 966 1 -0.000000 32.041000 18.954677 12.797473 8.371832 -3.760870 -1.053690 1.946980
|
|
967 967 1 -0.000000 32.041000 14.217174 8.556120 7.661996 -0.869280 8.157155 -7.258010
|
|
968 968 1 -0.000000 32.041000 18.904697 13.010241 3.443696 -4.608150 9.402320 2.896820
|
|
969 969 1 -0.000000 32.041000 10.761254 16.376561 10.601712 -1.068640 -1.484210 0.497036
|
|
970 970 1 -0.000000 32.041000 15.993361 14.545356 7.168909 3.103624 -3.093375 3.961340
|
|
971 971 1 0.000000 32.041000 17.116175 11.182761 11.159837 1.336330 3.725300 -1.314080
|
|
972 972 1 -0.000000 32.041000 6.175202 17.929625 15.671259 -0.597872 -0.797040 0.484680
|
|
973 973 1 -0.000000 32.041000 1.584264 10.633378 13.359475 6.158100 2.986440 7.644957
|
|
974 974 1 -0.000000 32.041000 4.144901 12.715031 11.183411 -7.165530 -9.571220 -12.595550
|
|
975 975 1 -0.000000 32.041000 4.197951 8.417829 13.419807 -7.932346 1.336875 6.265870
|
|
976 976 1 -0.000000 32.041000 3.431655 16.449544 15.260052 -5.741520 1.568430 -0.438187
|
|
977 977 1 -0.000000 32.041000 5.083953 10.229595 16.127508 7.665430 -0.968120 -0.733190
|
|
978 978 1 -0.000000 32.041000 10.046261 10.191428 12.741160 -5.180458 -2.765880 1.146590
|
|
979 979 1 -0.000000 32.041000 6.653791 9.958387 12.049723 10.493170 0.106744 -4.144348
|
|
980 980 1 -0.000000 32.041000 3.602605 20.167450 18.598740 3.010120 3.195570 -3.930230
|
|
981 981 1 -0.000000 32.041000 9.566179 8.026126 18.731169 -3.320957 -0.533070 1.140190
|
|
982 982 1 0.000000 32.041000 4.465127 13.939054 19.484618 -1.626300 -8.129330 -2.064860
|
|
983 983 1 -0.000000 32.041000 0.942932 8.647627 17.092980 0.022901 -13.556030 2.537530
|
|
984 984 1 -0.000000 32.041000 5.327389 15.404309 11.732596 6.471970 10.151750 8.537040
|
|
985 985 1 -0.000000 32.041000 7.765298 18.602508 12.497283 1.280020 7.363270 3.081935
|
|
986 986 1 -0.000000 32.041000 8.752009 9.932251 16.044655 1.711330 2.125070 -1.970640
|
|
987 987 1 0.000000 32.041000 7.227589 14.155611 17.032033 3.730460 1.328220 -2.843509
|
|
988 988 1 -0.000000 32.041000 9.668575 20.206230 15.469467 -2.537100 -7.235420 0.422790
|
|
989 989 1 -0.000000 32.041000 9.867786 15.894975 15.437904 -7.067840 -6.862180 -3.472368
|
|
990 990 1 0.000000 32.041000 7.905282 18.325748 19.481385 -3.464990 2.816100 -0.226627
|
|
991 991 1 -0.000000 32.041000 10.114810 12.819154 19.944954 -3.636708 0.815990 5.664416
|
|
992 992 1 -0.000000 32.041000 16.565349 8.764424 18.070707 2.484900 2.409470 -2.274810
|
|
993 993 1 -0.000000 32.041000 16.524783 18.500765 16.553477 6.448530 3.576870 2.592616
|
|
994 994 1 -0.000000 32.041000 18.212216 15.920884 12.738428 4.692920 -2.081000 5.234560
|
|
995 995 1 -0.000000 32.041000 13.143420 11.980394 17.506630 6.764340 -5.177850 3.601750
|
|
996 996 1 -0.000000 32.041000 12.161182 13.577147 14.829392 -5.976780 1.816606 -0.227388
|
|
997 997 1 -0.000000 32.041000 12.040445 16.759610 17.625137 10.267370 3.161830 -1.117100
|
|
998 998 1 0.000000 32.041000 14.146871 17.091922 14.413886 -7.650470 -2.486930 4.367130
|
|
999 999 1 -0.000000 32.041000 17.221256 14.213468 16.606505 3.182460 9.076720 3.282195
|
|
1000 1000 1 -0.000000 32.041000 17.610532 11.574168 14.597216 -0.779505 -9.240310 -10.443790
|
|
ITEM: TIMESTEP
|
|
4500
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -16.197634 -9.500897 -17.599326 0.248654 10.128830 16.039730
|
|
2 2 1 0.000000 32.041000 -8.839151 20.682987 -18.228730 0.973910 8.115830 -2.209373
|
|
3 3 1 -0.000000 32.041000 -10.436920 -13.471009 -16.739374 -10.744234 -1.682550 8.169940
|
|
4 4 1 0.000000 32.041000 -15.755397 -6.514198 -15.560174 1.848175 -3.250749 -3.097560
|
|
5 5 1 -0.000000 32.041000 -11.939408 -11.083258 -18.581455 -0.060540 2.138440 2.802250
|
|
6 6 1 -0.000000 32.041000 -16.261501 -9.773538 -12.762965 3.980080 -4.249160 -1.675110
|
|
7 7 1 -0.000000 32.041000 -19.389786 -11.986009 -14.029682 -1.950310 0.586210 -0.164024
|
|
8 8 1 -0.000000 32.041000 -14.616756 -13.913371 -11.868208 -2.439390 -3.418572 0.969596
|
|
9 9 1 -0.000000 32.041000 -11.546624 -17.469746 -13.522641 8.278700 -0.132090 -0.865777
|
|
10 10 1 -0.000000 32.041000 -11.545281 -11.262763 -12.011831 -2.787480 -2.973297 -6.225009
|
|
11 11 1 -0.000000 32.041000 -8.528896 -13.515157 -19.207756 8.955700 -0.825127 -9.096400
|
|
12 12 1 -0.000000 32.041000 -16.271210 20.179972 -19.435660 0.236436 0.881040 -12.136020
|
|
13 13 1 -0.000000 32.041000 -14.773645 -17.370230 -12.578009 -7.173250 1.207961 1.562090
|
|
14 14 1 -0.000000 32.041000 -17.288489 -18.042886 -17.923607 0.168718 4.741038 5.812640
|
|
15 15 1 -0.000000 32.041000 -12.830095 20.117364 -13.444606 -9.399840 -8.528070 -0.937650
|
|
16 16 1 -0.000000 32.041000 -20.524535 -11.206444 -18.179794 -1.945710 -0.877210 3.124930
|
|
17 17 1 -0.000000 32.041000 -13.363574 -19.491569 -16.861535 -10.100820 7.749740 7.266861
|
|
18 18 1 -0.000000 32.041000 -18.057524 -14.238202 -20.063956 -1.202412 -2.496290 -0.115950
|
|
19 19 1 -0.000000 32.041000 -14.985741 -9.256981 20.517230 2.552853 -13.141630 -0.557313
|
|
20 20 1 -0.000000 32.041000 -18.089277 -9.446655 -10.187694 5.485050 -1.825290 7.934840
|
|
21 21 1 -0.000000 32.041000 -20.187069 20.355378 -19.305360 2.403960 -3.123070 0.967860
|
|
22 22 1 -0.000000 32.041000 -3.545671 -10.775791 -19.984879 3.673990 -6.076890 -10.176900
|
|
23 23 1 -0.000000 32.041000 -14.251670 -13.901679 -15.354959 -3.011514 1.185880 -2.022280
|
|
24 24 1 -0.000000 32.041000 -2.716151 -6.851116 -16.963739 0.916600 -3.312591 -1.263350
|
|
25 25 1 -0.000000 32.041000 20.634143 -15.296638 -13.746897 4.687948 1.000011 1.506821
|
|
26 26 1 -0.000000 32.041000 19.751921 -19.504264 -11.408864 3.296760 -1.007716 -3.127003
|
|
27 27 1 0.000000 32.041000 -3.296462 -12.210296 -10.317225 -3.621050 6.490230 0.677330
|
|
28 28 1 0.000000 32.041000 -15.523594 -12.555077 -19.966093 -0.273240 4.602951 2.252960
|
|
29 29 1 -0.000000 32.041000 -18.763034 -9.770842 20.419174 3.511653 1.035470 -5.499550
|
|
30 30 1 -0.000000 32.041000 -18.661115 -19.971494 -14.331912 -4.004640 1.170890 5.207397
|
|
31 31 1 -0.000000 32.041000 -20.017486 -6.712474 -16.595701 3.875100 -0.870210 0.621800
|
|
32 32 1 -0.000000 32.041000 -5.199430 -8.045087 -19.058080 -7.722649 15.161100 11.767840
|
|
33 33 1 -0.000000 32.041000 -19.059835 -6.201572 -12.237381 -10.621590 4.695500 0.297460
|
|
34 34 1 0.000000 32.041000 -13.218157 -5.931024 -19.237957 -0.751580 -2.948290 -4.224450
|
|
35 35 1 -0.000000 32.041000 -11.353877 -16.090790 -10.740453 2.670700 5.971490 -2.592392
|
|
36 36 1 -0.000000 32.041000 -12.099484 -7.204338 -15.130358 -2.114970 -0.802250 -0.227837
|
|
37 37 1 0.000000 32.041000 -8.631386 -10.973024 -13.814772 -9.831403 -9.940870 -2.560303
|
|
38 38 1 -0.000000 32.041000 -20.548234 -7.315870 20.406404 -2.373940 3.123960 1.285230
|
|
39 39 1 -0.000000 32.041000 -10.163693 -17.419151 -19.346100 -0.324826 -3.724880 1.752170
|
|
40 40 1 0.000000 32.041000 -18.889077 20.532181 -9.778464 -4.252040 4.295010 0.067750
|
|
41 41 1 -0.000000 32.041000 -9.240961 -7.712367 -11.737338 10.142540 -0.911190 3.936680
|
|
42 42 1 0.000000 32.041000 -0.329939 -13.158825 -13.487789 8.043620 -1.233830 -2.145600
|
|
43 43 1 -0.000000 32.041000 -1.752643 -7.213539 -11.982698 -6.006862 -9.798450 -4.455150
|
|
44 44 1 -0.000000 32.041000 -2.788098 -20.481925 -12.019379 0.354790 -0.141940 -14.021669
|
|
45 45 1 -0.000000 32.041000 -0.543562 -9.845356 -10.531606 -0.029570 -7.046662 -4.440080
|
|
46 46 1 -0.000000 32.041000 -5.415045 -16.380418 -20.036678 -0.766110 2.333120 8.558150
|
|
47 47 1 -0.000000 32.041000 0.564270 -17.571630 -10.427370 2.648240 1.576003 2.940320
|
|
48 48 1 -0.000000 32.041000 -6.283717 -9.184512 -13.625623 10.503380 5.007610 5.204900
|
|
49 49 1 -0.000000 32.041000 -1.247872 -14.242777 -17.799620 -0.087060 -13.248899 5.663420
|
|
50 50 1 -0.000000 32.041000 -8.508613 -11.605667 -9.800421 1.888790 -2.754002 -3.565280
|
|
51 51 1 0.000000 32.041000 -1.080795 -18.152786 -17.574733 5.436980 2.222146 2.531125
|
|
52 52 1 -0.000000 32.041000 -6.554596 -19.058968 -10.647339 1.349890 -4.503780 -0.021616
|
|
53 53 1 -0.000000 32.041000 0.628185 -7.206803 -18.978260 2.645260 1.641190 0.695190
|
|
54 54 1 -0.000000 32.041000 -7.620737 -17.530010 -16.687854 5.602680 1.113640 3.103960
|
|
55 55 1 -0.000000 32.041000 -2.275453 -10.185892 -16.002566 1.669610 1.106830 0.602740
|
|
56 56 1 0.000000 32.041000 -3.367165 -17.118145 -15.166298 -0.183580 3.107035 1.930737
|
|
57 57 1 -0.000000 32.041000 -8.190264 -15.144862 -9.867616 0.777076 -0.917650 1.884462
|
|
58 58 1 -0.000000 32.041000 -5.887305 -7.825039 -10.018328 4.238990 -2.472940 1.067720
|
|
59 59 1 -0.000000 32.041000 -4.614103 -14.040269 -12.478140 -0.663620 -2.706640 0.111521
|
|
60 60 1 -0.000000 32.041000 -5.689616 -12.863955 -17.444952 3.990620 -3.775150 -2.441010
|
|
61 61 1 -0.000000 32.041000 -5.257333 -19.943416 -16.266492 -3.423510 4.698110 -1.893257
|
|
62 62 1 -0.000000 32.041000 -8.256199 -9.841564 -18.622892 6.931030 4.688759 -0.466810
|
|
63 63 1 -0.000000 32.041000 -19.586993 -12.230009 -9.599496 -1.140350 -1.316838 4.037400
|
|
64 64 1 -0.000000 32.041000 -3.613694 -18.824112 20.568344 4.824830 -7.480690 -6.414822
|
|
65 65 1 0.000000 32.041000 -7.421150 -5.625857 -15.251075 0.684590 7.397650 1.868830
|
|
66 66 1 0.000000 32.041000 -15.293053 -16.847211 -8.579696 -6.466808 0.522060 -3.871690
|
|
67 67 1 -0.000000 32.041000 -16.874627 -16.122123 -4.453902 -4.308840 -1.485530 -2.141640
|
|
68 68 1 -0.000000 32.041000 -16.148566 -11.348250 -3.123694 -6.907920 0.213830 -1.755932
|
|
69 69 1 -0.000000 32.041000 -14.761580 -9.076045 -5.603654 0.885700 7.236930 -0.736240
|
|
70 70 1 0.000000 32.041000 -15.715455 -11.358980 -7.900383 -4.807440 -2.059744 -0.918980
|
|
71 71 1 -0.000000 32.041000 -12.607674 -15.875494 -6.814927 10.657400 -0.208670 -1.457031
|
|
72 72 1 -0.000000 32.041000 -13.963758 -17.836316 -4.334480 -6.398810 2.131546 4.592764
|
|
73 73 1 -0.000000 32.041000 -10.692267 -11.117326 -6.211944 3.589850 3.114590 2.360440
|
|
74 74 1 0.000000 32.041000 -12.900691 -12.801220 -3.144530 8.393230 -1.492920 1.341269
|
|
75 75 1 -0.000000 32.041000 -5.178046 -19.314854 -3.239251 -2.122420 1.044850 -4.214940
|
|
76 76 1 -0.000000 32.041000 -0.978364 -19.642915 -5.584658 2.535290 -0.142920 1.095700
|
|
77 77 1 0.000000 32.041000 -19.550938 -13.263506 -5.812137 2.371671 0.259580 -6.749890
|
|
78 78 1 -0.000000 32.041000 -20.452930 -11.796896 -2.221854 0.338570 4.928630 2.046748
|
|
79 79 1 -0.000000 32.041000 -19.575959 -8.606116 -6.104161 -1.786920 2.281470 -1.090754
|
|
80 80 1 -0.000000 32.041000 -10.301739 -18.550036 -8.503951 -3.386070 5.131200 7.019930
|
|
81 81 1 -0.000000 32.041000 -19.471833 -8.441015 -2.347009 2.612259 0.693000 -0.883527
|
|
82 82 1 -0.000000 32.041000 -19.205383 -18.184240 -6.120454 4.515491 9.873550 -13.023600
|
|
83 83 1 0.000000 32.041000 -13.962914 -20.554225 -9.083710 1.572470 -5.904630 -0.345250
|
|
84 84 1 0.000000 32.041000 -6.623880 -6.618261 -1.199920 -2.169580 -0.585180 0.971854
|
|
85 85 1 -0.000000 32.041000 -17.352208 -20.556533 -1.545748 -0.040934 1.215230 4.594670
|
|
86 86 1 -0.000000 32.041000 -19.610361 -20.077813 -3.704629 -1.243371 -12.812620 8.014590
|
|
87 87 1 -0.000000 32.041000 -16.249908 20.327343 -6.691637 1.082580 0.865190 -2.881190
|
|
88 88 1 0.000000 32.041000 -13.851297 -8.161604 -0.465816 1.027996 4.631649 -1.324780
|
|
89 89 1 -0.000000 32.041000 -16.488468 -6.879190 -2.068765 0.550570 -3.641610 0.564316
|
|
90 90 1 0.000000 32.041000 -11.879569 -10.261368 -9.095071 -3.279530 -1.228120 -5.356250
|
|
91 91 1 0.000000 32.041000 0.751315 -14.644411 -1.812588 2.087570 11.488715 8.892395
|
|
92 92 1 -0.000000 32.041000 -16.398977 -6.170378 -6.744817 -2.984810 1.377740 2.473150
|
|
93 93 1 -0.000000 32.041000 0.121740 -8.643707 -7.608034 0.447690 4.924540 4.180670
|
|
94 94 1 -0.000000 32.041000 -10.170033 -16.744607 -2.973582 -2.189888 2.132183 -0.669350
|
|
95 95 1 -0.000000 32.041000 -9.693325 -7.716166 -7.556549 -0.302710 1.455200 1.915840
|
|
96 96 1 -0.000000 32.041000 -18.211586 -15.408287 0.203767 8.020730 6.523300 -13.033170
|
|
97 97 1 -0.000000 32.041000 -2.396649 -19.992261 -0.160335 6.601760 -1.708250 3.589090
|
|
98 98 1 -0.000000 32.041000 -7.867716 20.269305 -2.351899 0.353380 -7.419840 2.662660
|
|
99 99 1 -0.000000 32.041000 -7.291545 -11.810240 -6.319187 0.177860 2.180276 3.045230
|
|
100 100 1 -0.000000 32.041000 -2.568544 19.726038 -9.056905 1.990011 1.925280 11.044610
|
|
101 101 1 -0.000000 32.041000 -9.788207 -6.166429 -4.418607 -1.040952 -2.934690 -2.446329
|
|
102 102 1 -0.000000 32.041000 -3.392234 -18.113181 -8.801252 -3.264090 -0.302972 1.748733
|
|
103 103 1 -0.000000 32.041000 -5.995886 -15.702714 -5.775921 -1.191690 -9.246250 -1.380250
|
|
104 104 1 -0.000000 32.041000 -5.826822 -15.910640 -1.026837 -0.043620 4.957090 3.148350
|
|
105 105 1 -0.000000 32.041000 -3.012991 -14.859950 -4.748367 -2.973140 6.223031 0.312800
|
|
106 106 1 -0.000000 32.041000 -0.830738 -14.248336 -7.486542 -0.161958 -2.375091 1.061006
|
|
107 107 1 -0.000000 32.041000 -8.957043 -11.139843 -2.318478 -2.918090 0.099448 -0.003924
|
|
108 108 1 -0.000000 32.041000 -2.689121 -7.200367 -1.438947 3.973479 -9.661190 0.565700
|
|
109 109 1 -0.000000 32.041000 -5.356276 -8.779365 -6.747488 -2.107843 0.595370 -1.689660
|
|
110 110 1 -0.000000 32.041000 -7.311285 -20.446040 -6.161556 1.982790 2.169320 0.338340
|
|
111 111 1 0.000000 32.041000 -3.404630 -11.421350 -3.923223 5.578540 -1.812040 0.025230
|
|
112 112 1 -0.000000 32.041000 -4.412545 -12.641230 -1.196140 0.271810 -2.407610 1.964560
|
|
113 113 1 0.000000 32.041000 19.727495 -16.013102 -3.308685 0.015090 3.758400 -3.934264
|
|
114 114 1 -0.000000 32.041000 -6.316875 -20.660932 0.917963 -1.595830 -2.575934 -2.448600
|
|
115 115 1 -0.000000 32.041000 -11.670224 19.371572 -4.213143 -0.936950 -4.087418 5.227130
|
|
116 116 1 -0.000000 32.041000 -12.611373 -5.898486 -7.764072 1.612060 -2.592670 9.320890
|
|
117 117 1 -0.000000 32.041000 -15.811494 -10.811824 0.150442 4.703000 -10.326050 2.786056
|
|
118 118 1 -0.000000 32.041000 -19.683259 -17.637930 5.720647 0.420940 1.542252 2.506120
|
|
119 119 1 -0.000000 32.041000 -16.813595 -18.826164 6.640269 -9.190408 3.338671 -8.737720
|
|
120 120 1 -0.000000 32.041000 -17.820183 -16.823171 2.970507 4.481978 -5.256320 6.467302
|
|
121 121 1 0.000000 32.041000 -4.538927 -16.967394 1.688039 -3.361220 2.509432 -1.533390
|
|
122 122 1 -0.000000 32.041000 -14.825485 -15.027094 5.535124 1.182740 3.466510 4.874240
|
|
123 123 1 -0.000000 32.041000 -11.637478 -8.914886 5.097725 0.857570 -2.109340 0.022190
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937 937 1 -0.000000 32.041000 17.484411 16.930955 -6.963942 2.541587 3.881050 -1.087920
|
|
938 938 1 -0.000000 32.041000 16.441611 9.448324 -4.874246 -1.110200 7.374260 4.273160
|
|
939 939 1 -0.000000 32.041000 12.530148 15.183089 -0.346696 -4.762502 -7.608358 -10.147000
|
|
940 940 1 -0.000000 32.041000 17.851191 18.936666 -4.340803 0.136830 -5.479810 -2.512350
|
|
941 941 1 -0.000000 32.041000 18.958805 15.168904 0.818401 -3.438910 -4.056113 -3.682180
|
|
942 942 1 0.000000 32.041000 3.666108 9.861079 0.815621 -9.323210 -0.297057 2.733120
|
|
943 943 1 -0.000000 32.041000 1.519412 14.973275 6.011314 -1.474627 -2.845468 3.662620
|
|
944 944 1 -0.000000 32.041000 7.820729 11.963366 4.836219 8.960720 -2.415496 -8.125360
|
|
945 945 1 -0.000000 32.041000 6.877393 8.209235 7.322020 0.460536 -2.855710 5.346680
|
|
946 946 1 -0.000000 32.041000 4.911226 12.825930 7.080099 -10.817340 4.256649 10.884940
|
|
947 947 1 -0.000000 32.041000 3.839451 8.059409 9.314341 2.057900 1.844165 -1.257420
|
|
948 948 1 -0.000000 32.041000 6.854945 16.344185 3.785954 -2.142060 -1.114510 -0.112200
|
|
949 949 1 -0.000000 32.041000 3.417182 9.869272 4.340834 -4.512973 -2.010236 0.674580
|
|
950 950 1 -0.000000 32.041000 5.829073 13.403098 2.197535 2.758257 3.536970 1.953584
|
|
951 951 1 -0.000000 32.041000 3.658387 17.820058 3.926185 0.690782 -0.606480 -0.879070
|
|
952 952 1 -0.000000 32.041000 1.733988 19.080998 7.039580 -2.855810 0.291600 1.277440
|
|
953 953 1 -0.000000 32.041000 4.244697 16.499692 8.993364 -4.177050 7.470310 -3.735220
|
|
954 954 1 -0.000000 32.041000 6.938633 18.065956 8.040668 2.501400 -2.852870 6.025125
|
|
955 955 1 -0.000000 32.041000 18.217637 19.758563 1.144903 -4.477550 -2.911204 -0.463920
|
|
956 956 1 -0.000000 32.041000 0.645381 13.950605 9.443021 -2.592270 3.330420 -4.265989
|
|
957 957 1 -0.000000 32.041000 10.952888 12.029640 1.969339 -6.798560 -7.510360 -1.459710
|
|
958 958 1 -0.000000 32.041000 10.500960 11.321195 9.016289 7.413510 0.633560 -2.829300
|
|
959 959 1 -0.000000 32.041000 10.843105 17.705408 2.519589 3.970031 -3.205130 -2.504920
|
|
960 960 1 -0.000000 32.041000 18.664622 9.113436 2.862452 -1.971340 6.788720 -0.905660
|
|
961 961 1 -0.000000 32.041000 14.162947 16.594336 2.202820 0.680610 0.858100 0.711888
|
|
962 962 1 0.000000 32.041000 13.474597 13.665080 3.726492 2.538401 8.992554 3.239680
|
|
963 963 1 -0.000000 32.041000 16.997610 17.418274 8.540459 0.964720 7.772530 -0.496565
|
|
964 964 1 -0.000000 32.041000 17.241898 16.804841 4.980064 21.727100 -11.771490 3.764690
|
|
965 965 1 -0.000000 32.041000 11.565653 9.529114 4.204605 4.849670 -0.576812 -4.099938
|
|
966 966 1 -0.000000 32.041000 14.431687 18.494923 5.205756 -26.193254 18.720250 3.770100
|
|
967 967 1 -0.000000 32.041000 11.344985 15.540284 10.641181 -4.837150 -0.264470 3.051390
|
|
968 968 1 -0.000000 32.041000 18.300879 13.504397 8.408001 -4.717890 -3.999917 3.431310
|
|
969 969 1 -0.000000 32.041000 13.887738 9.949089 7.888385 -1.512400 -1.960035 -0.832800
|
|
970 970 1 -0.000000 32.041000 18.492552 13.275515 3.785551 3.095285 -2.929750 2.677130
|
|
971 971 1 -0.000000 32.041000 15.024897 14.940412 7.355228 7.589410 -4.327044 -9.985590
|
|
972 972 1 -0.000000 32.041000 12.739800 8.438322 10.728066 -7.267410 0.010900 1.089880
|
|
973 973 1 -0.000000 32.041000 7.266007 9.234960 11.807486 0.685530 2.739140 0.335470
|
|
974 974 1 -0.000000 32.041000 16.420895 12.037007 10.915066 4.803670 0.269190 1.241153
|
|
975 975 1 -0.000000 32.041000 1.318685 17.282429 12.488881 -2.449720 1.043880 0.953760
|
|
976 976 1 -0.000000 32.041000 5.582088 18.487364 15.198153 -0.554870 0.012500 5.625610
|
|
977 977 1 -0.000000 32.041000 1.332351 11.272558 13.801606 -16.848020 14.408722 -7.207700
|
|
978 978 1 -0.000000 32.041000 4.417173 12.266491 10.709014 1.364900 0.518850 -3.119616
|
|
979 979 1 -0.000000 32.041000 3.330136 8.789881 13.648857 24.519455 -11.671811 6.899373
|
|
980 980 1 -0.000000 32.041000 3.069811 16.416232 15.595619 0.364700 1.339202 -4.787330
|
|
981 981 1 -0.000000 32.041000 5.339351 9.598617 16.709290 -4.141028 0.769780 -1.592800
|
|
982 982 1 -0.000000 32.041000 9.358797 10.519035 14.074860 1.981710 -0.487375 -2.612371
|
|
983 983 1 -0.000000 32.041000 5.336496 15.351013 12.053785 1.443680 -9.402480 0.833940
|
|
984 984 1 -0.000000 32.041000 7.072079 19.344716 12.014778 -0.821924 -6.659770 3.580820
|
|
985 985 1 -0.000000 32.041000 8.754461 10.708040 17.350656 -2.322120 -5.656180 1.471138
|
|
986 986 1 0.000000 32.041000 6.725077 14.612264 16.643400 5.642080 -6.777140 1.978230
|
|
987 987 1 -0.000000 32.041000 8.247353 13.853919 11.397799 -3.147987 -0.181286 2.348060
|
|
988 988 1 -0.000000 32.041000 10.043381 19.508774 15.939250 -2.981750 3.158550 -2.965310
|
|
989 989 1 -0.000000 32.041000 9.369891 15.730817 15.464614 -4.591390 -3.863014 -1.004270
|
|
990 990 1 -0.000000 32.041000 14.548956 8.670930 14.045141 -1.276510 -3.195900 2.588930
|
|
991 991 1 0.000000 32.041000 7.715815 17.985816 19.262181 -0.481070 5.838420 0.112600
|
|
992 992 1 -0.000000 32.041000 16.240163 8.060180 18.386248 -0.261720 4.079870 1.281440
|
|
993 993 1 -0.000000 32.041000 16.859451 18.215744 17.088025 -1.402603 1.987060 0.059410
|
|
994 994 1 -0.000000 32.041000 17.340653 15.937446 12.299935 3.098920 1.015299 10.316700
|
|
995 995 1 -0.000000 32.041000 13.197452 11.735186 17.520864 3.701490 -4.353950 1.107790
|
|
996 996 1 -0.000000 32.041000 12.132598 13.583573 15.043504 2.596120 1.792380 -1.082670
|
|
997 997 1 -0.000000 32.041000 12.504028 15.811179 17.518069 1.663710 5.472310 -1.757820
|
|
998 998 1 0.000000 32.041000 14.053930 17.585466 14.912771 -5.359470 -9.370676 3.156030
|
|
999 999 1 -0.000000 32.041000 17.096377 13.622366 15.805174 3.934480 1.276160 2.393820
|
|
1000 1000 1 -0.000000 32.041000 17.976414 10.225989 13.821114 -7.924750 4.204850 -8.374910
|
|
ITEM: TIMESTEP
|
|
4750
|
|
ITEM: NUMBER OF ATOMS
|
|
1000
|
|
ITEM: BOX BOUNDS pp pp pp
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
-20.691700 20.691700
|
|
ITEM: ATOMS id mol type q mass x y z fx fy fz
|
|
1 1 1 -0.000000 32.041000 -16.277129 -9.209681 -17.142867 -4.345090 -1.608728 -3.833880
|
|
2 2 1 -0.000000 32.041000 -9.074661 -19.899278 -18.212808 -4.301300 -1.912180 -4.219010
|
|
3 3 1 -0.000000 32.041000 -10.536882 -13.870594 -16.602606 -10.326510 4.111648 5.478850
|
|
4 4 1 -0.000000 32.041000 -15.060447 -7.050022 -14.754815 1.600830 0.814495 -1.250750
|
|
5 5 1 -0.000000 32.041000 -12.244372 -10.775365 -18.141199 -0.431810 -10.097624 2.632010
|
|
6 6 1 -0.000000 32.041000 -16.018978 -10.723750 -12.708651 2.403420 5.767960 4.394286
|
|
7 7 1 -0.000000 32.041000 -19.396846 -12.062792 -14.549051 -16.162040 0.720750 0.683280
|
|
8 8 1 -0.000000 32.041000 -14.096126 -13.490789 -12.404239 -4.081950 -8.009850 1.411804
|
|
9 9 1 -0.000000 32.041000 -11.611788 -17.939931 -12.699923 0.309550 -3.071910 -3.051820
|
|
10 10 1 -0.000000 32.041000 -11.195744 -11.102647 -13.599772 -1.123230 1.869660 0.064600
|
|
11 11 1 -0.000000 32.041000 -8.707446 -12.970845 -19.119381 3.277720 -2.218500 -5.790247
|
|
12 12 1 -0.000000 32.041000 -16.099482 -20.372696 -19.293946 2.768936 4.264500 -9.414360
|
|
13 13 1 -0.000000 32.041000 -14.768486 -16.686518 -12.817660 -1.097310 1.484250 -3.535820
|
|
14 14 1 -0.000000 32.041000 -17.539768 -17.506991 -17.723452 -3.527045 -2.698135 4.314280
|
|
15 15 1 -0.000000 32.041000 -0.533981 -13.331933 -12.541811 4.058440 -4.497930 1.624610
|
|
16 16 1 0.000000 32.041000 19.708151 -10.598360 -17.735281 4.092190 0.853540 -9.056900
|
|
17 17 1 -0.000000 32.041000 -14.379426 -19.457181 -16.171537 1.208410 0.543600 3.831930
|
|
18 18 1 -0.000000 32.041000 -18.964557 -13.968456 -19.364348 8.274439 -1.230100 8.186920
|
|
19 19 1 -0.000000 32.041000 -15.129954 -9.694536 -20.653901 1.411400 7.798020 0.730730
|
|
20 20 1 -0.000000 32.041000 -17.447453 -9.749630 -10.210393 -3.715690 -4.046710 4.879250
|
|
21 21 1 -0.000000 32.041000 -2.863307 -10.956684 -19.918642 -11.363220 0.983930 -0.916277
|
|
22 22 1 -0.000000 32.041000 -15.799177 -12.702242 -15.331711 11.986970 -10.355279 -6.036240
|
|
23 23 1 -0.000000 32.041000 -2.648842 -7.928358 -17.005379 4.702815 1.128920 2.295000
|
|
24 24 1 -0.000000 32.041000 20.355634 -15.525474 -14.351608 4.079360 2.390560 10.241220
|
|
25 25 1 -0.000000 32.041000 -5.446939 -19.709267 -11.592124 -0.006860 3.445170 3.155750
|
|
26 26 1 0.000000 32.041000 -15.877039 -12.522990 -19.859191 -4.617240 -8.777590 -0.023740
|
|
27 27 1 -0.000000 32.041000 -12.923142 19.838651 -13.432852 -5.497236 1.570710 1.571720
|
|
28 28 1 -0.000000 32.041000 -19.730312 -20.093968 -14.009109 2.695707 6.232802 2.173620
|
|
29 29 1 -0.000000 32.041000 -0.148398 -9.523113 -10.970453 -5.273044 0.356670 2.574457
|
|
30 30 1 -0.000000 32.041000 -20.162231 -5.879609 -15.866401 4.187150 -7.457290 -2.278599
|
|
31 31 1 -0.000000 32.041000 -4.828706 -7.764949 -19.372990 -4.539048 -2.298960 -2.677360
|
|
32 32 1 -0.000000 32.041000 -4.805743 -18.898138 -16.697962 -1.106690 1.580760 4.058362
|
|
33 33 1 -0.000000 32.041000 -10.804297 -15.561452 -10.617580 3.733870 -3.547670 6.294850
|
|
34 34 1 -0.000000 32.041000 -11.856892 -6.843814 -15.072633 1.562470 -1.244180 9.082720
|
|
35 35 1 0.000000 32.041000 -8.121130 -11.754967 -14.376148 -1.382360 5.676011 3.554060
|
|
36 36 1 -0.000000 32.041000 -8.173886 -7.822002 -11.784524 -8.345087 2.921930 7.535436
|
|
37 37 1 -0.000000 32.041000 -10.179910 -16.845510 -19.129427 2.030784 1.738677 0.787660
|
|
38 38 1 0.000000 32.041000 -20.014304 19.991832 -18.695519 -2.674589 -1.926440 -7.123450
|
|
39 39 1 -0.000000 32.041000 -2.143073 -6.907681 -12.117649 1.848349 -22.746520 -16.433516
|
|
40 40 1 -0.000000 32.041000 -2.099379 -20.414853 -11.917708 -1.870830 2.936880 1.561600
|
|
41 41 1 0.000000 32.041000 -3.347718 -18.357786 20.442841 0.333950 -4.937694 -2.846260
|
|
42 42 1 0.000000 32.041000 -19.397990 -6.355868 -10.977557 -2.801719 8.442550 -5.506154
|
|
43 43 1 -0.000000 32.041000 1.041812 -18.209991 -10.472089 -3.596470 -1.729880 1.708552
|
|
44 44 1 -0.000000 32.041000 -5.937015 -9.607595 -13.386865 8.318719 -8.754940 -3.117890
|
|
45 45 1 -0.000000 32.041000 -1.353218 -14.720426 -18.162439 0.941470 5.263343 -8.870660
|
|
46 46 1 0.000000 32.041000 -8.070108 -12.257277 -9.887485 -14.128350 1.120340 -3.474951
|
|
47 47 1 0.000000 32.041000 -0.812001 -17.903658 -17.582968 -6.357646 -3.872382 11.857117
|
|
48 48 1 -0.000000 32.041000 -4.183134 -11.914517 -9.485001 9.857510 0.429800 0.942760
|
|
49 49 1 -0.000000 32.041000 -11.539032 -10.587780 -9.960690 1.151370 -3.194569 0.985560
|
|
50 50 1 -0.000000 32.041000 -7.098239 -16.088317 -16.620594 1.587730 -8.956834 -7.391605
|
|
51 51 1 -0.000000 32.041000 -1.940452 -10.808330 -15.211398 2.994190 4.134340 0.496965
|
|
52 52 1 0.000000 32.041000 -2.492015 -16.838069 -14.435414 2.324880 -3.950680 -8.256260
|
|
53 53 1 0.000000 32.041000 -12.791417 -6.142871 -19.280280 -5.374740 5.333570 -11.087993
|
|
54 54 1 -0.000000 32.041000 -4.875867 -14.495554 -12.427837 -4.838890 3.963080 6.746260
|
|
55 55 1 -0.000000 32.041000 -5.617744 -12.360518 -18.150583 10.601800 1.286260 0.160250
|
|
56 56 1 -0.000000 32.041000 -7.873475 -9.253722 -18.223057 2.019662 6.522200 -1.567810
|
|
57 57 1 -0.000000 32.041000 -5.518179 -15.826744 20.323358 1.541450 5.691170 8.820660
|
|
58 58 1 -0.000000 32.041000 -19.854427 -12.189691 -9.363339 -2.245750 1.897170 0.802908
|
|
59 59 1 -0.000000 32.041000 -5.094571 -7.974339 -9.896945 -5.777100 -2.411220 1.542330
|
|
60 60 1 -0.000000 32.041000 -16.177511 -6.031455 -20.524775 3.329500 5.715509 2.352150
|
|
61 61 1 0.000000 32.041000 -14.153460 -20.570667 -9.478283 2.883130 -2.465540 3.330750
|
|
62 62 1 -0.000000 32.041000 -20.524899 -7.269853 20.480694 -1.755060 -10.539440 -6.283430
|
|
63 63 1 0.000000 32.041000 -15.529329 -15.435221 -8.609418 3.653970 -4.633414 0.251940
|
|
64 64 1 -0.000000 32.041000 -17.215159 -16.383651 -4.487869 -6.050540 0.810376 -3.786870
|
|
65 65 1 -0.000000 32.041000 -16.156270 -11.680198 -3.321354 4.438100 0.442770 -3.390860
|
|
66 66 1 -0.000000 32.041000 -15.089937 -8.746953 -6.145967 6.244605 -11.137190 -2.354380
|
|
67 67 1 0.000000 32.041000 -16.137883 -11.685718 -7.840870 0.316687 6.617300 5.411960
|
|
68 68 1 -0.000000 32.041000 -11.918597 -15.785611 -6.698179 -3.870980 -4.049673 1.304400
|
|
69 69 1 -0.000000 32.041000 -14.247094 -17.108489 -4.447670 10.682810 2.060470 -1.368058
|
|
70 70 1 -0.000000 32.041000 -10.276315 -10.436486 -6.833247 -3.262700 0.491670 2.293400
|
|
71 71 1 0.000000 32.041000 -12.700031 -12.568904 -2.881036 0.888280 -1.171140 0.472829
|
|
72 72 1 -0.000000 32.041000 -4.814223 -19.743147 -3.378739 0.266000 2.196970 1.986370
|
|
73 73 1 -0.000000 32.041000 -20.338149 -17.514820 -0.008413 1.167710 -1.703620 3.451934
|
|
74 74 1 0.000000 32.041000 -20.077546 -12.895187 -6.072858 3.049600 -0.716990 -6.233150
|
|
75 75 1 -0.000000 32.041000 -19.552215 -8.012859 -6.067647 -1.561211 1.769340 -2.076871
|
|
76 76 1 -0.000000 32.041000 -10.519178 -18.417318 -8.190824 0.443080 3.169560 3.091009
|
|
77 77 1 -0.000000 32.041000 -20.280942 -11.568181 -2.517181 -9.942258 5.050000 7.503701
|
|
78 78 1 -0.000000 32.041000 -19.278224 -8.166277 -2.295690 2.894790 0.146680 -1.496740
|
|
79 79 1 -0.000000 32.041000 -19.190172 -18.416629 -6.343495 -1.342270 -3.362350 6.535150
|
|
80 80 1 -0.000000 32.041000 20.646616 -15.487856 -3.243835 -3.776663 -1.362660 -0.666304
|
|
81 81 1 0.000000 32.041000 -8.067423 20.597253 -2.234566 0.691660 -8.258070 0.738270
|
|
82 82 1 -0.000000 32.041000 -6.860903 -20.271016 -6.363074 -1.341310 -1.263670 -3.175487
|
|
83 83 1 0.000000 32.041000 -6.868408 -7.396434 -1.250890 0.733448 0.209300 -0.972650
|
|
84 84 1 -0.000000 32.041000 -17.248260 20.568808 -1.177939 -9.907310 12.598470 -3.854456
|
|
85 85 1 -0.000000 32.041000 -19.856781 -20.488606 -3.139443 3.587780 0.357040 -5.335000
|
|
86 86 1 -0.000000 32.041000 -15.907082 20.141020 -6.587022 -0.863154 1.877921 -3.045140
|
|
87 87 1 -0.000000 32.041000 -13.589040 -7.736883 -1.000274 -5.785050 5.103880 -0.073670
|
|
88 88 1 -0.000000 32.041000 -16.333013 -6.635590 -2.654994 -0.398500 -4.536190 4.675751
|
|
89 89 1 0.000000 32.041000 -0.209176 -9.668011 -7.406636 -8.611700 2.271940 -6.646050
|
|
90 90 1 -0.000000 32.041000 -9.869813 -16.382114 -1.492273 2.835140 7.402000 -11.020910
|
|
91 91 1 -0.000000 32.041000 -9.754588 -7.218834 -7.332087 -0.749813 3.652720 2.009930
|
|
92 92 1 -0.000000 32.041000 -3.678139 -13.391659 -1.181475 -4.839605 -2.273130 5.902160
|
|
93 93 1 -0.000000 32.041000 -18.166169 -14.697639 0.509242 -3.260530 -1.642950 -6.246390
|
|
94 94 1 -0.000000 32.041000 0.837999 -14.759574 -1.261841 11.997900 -2.386653 -1.654830
|
|
95 95 1 -0.000000 32.041000 -7.349065 -11.116942 -5.995002 -0.809420 0.965240 -4.071861
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