forked from lijiext/lammps
124 lines
4.2 KiB
Plaintext
124 lines
4.2 KiB
Plaintext
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# RDX example
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105 atoms
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4 atom types
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0 25.000 xlo xhi
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0 25.000 ylo yhi
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0 25.000 zlo zhi
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Masses
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1 1.0080
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2 12.0107
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3 15.9994
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4 14.0067
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Atoms
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1 2 0.0 14.70747 14.63296 9.00078
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2 4 0.0 14.75209 14.82706 10.48551
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3 2 0.0 16.08626 14.66861 11.14801
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4 4 0.0 17.12170 13.78716 10.51955
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5 2 0.0 17.04682 13.61313 9.03355
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6 4 0.0 15.72698 13.75678 8.33970
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7 4 0.0 13.70357 13.95851 11.17372
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8 4 0.0 17.16997 12.43180 11.21817
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9 4 0.0 15.13478 12.38723 8.02188
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10 3 0.0 12.62896 13.62099 10.53217
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11 3 0.0 13.83977 13.66206 12.42825
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12 3 0.0 16.82023 12.33906 12.46289
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13 3 0.0 17.66680 11.40779 10.59764
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14 3 0.0 15.92308 11.37429 7.84061
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15 3 0.0 13.85940 12.27085 7.82144
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16 1 0.0 13.68156 14.38512 8.65830
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17 1 0.0 14.86042 15.64132 8.56730
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18 1 0.0 16.53138 15.68341 11.16029
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19 1 0.0 15.97457 14.44920 12.22991
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20 1 0.0 17.69011 14.41034 8.61081
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21 1 0.0 17.57332 12.69163 8.70975
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22 2 0.0 3.36149 0.85818 22.25391
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23 4 0.0 4.29015 1.45411 23.26712
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24 2 0.0 5.74921 1.45638 22.92772
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25 4 0.0 6.29203 0.41356 21.99929
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26 2 0.0 5.33619 24.83726 21.00015
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27 4 0.0 3.87094 24.81178 21.31073
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28 4 0.0 4.05868 0.83226 24.64084
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29 4 0.0 6.98470 24.30334 22.78351
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30 4 0.0 3.44230 23.42075 21.76753
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31 3 0.0 2.89169 0.35364 24.93982
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32 3 0.0 4.99347 0.89125 0.53699
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33 3 0.0 7.50875 24.56580 23.93971
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34 3 0.0 7.14388 23.13739 22.23984
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35 3 0.0 4.09644 22.38053 21.35482
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36 3 0.0 2.36102 23.28086 22.46865
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37 1 0.0 2.40372 0.54739 22.72003
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38 1 0.0 3.04434 1.70393 21.61188
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39 1 0.0 5.93246 2.42528 22.42195
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40 1 0.0 6.37424 1.54698 23.84001
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41 1 0.0 5.43492 0.47260 20.09754
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42 1 0.0 5.68639 23.85112 20.63130
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43 2 0.0 5.15008 14.27075 16.08622
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44 4 0.0 4.09420 15.20855 16.58603
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45 2 0.0 3.92027 15.30093 18.07104
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46 4 0.0 4.29094 14.13174 18.93110
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47 2 0.0 5.34851 13.21298 18.40049
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48 4 0.0 5.54406 13.09043 16.92035
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49 4 0.0 2.75847 14.92758 15.90470
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50 4 0.0 3.04761 13.34492 19.33408
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51 4 0.0 4.88840 11.81712 16.39491
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52 3 0.0 2.74084 14.40258 14.71964
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53 3 0.0 1.65772 15.32101 16.46502
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54 3 0.0 1.90378 13.94960 19.41349
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55 3 0.0 3.16329 12.10774 19.70337
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56 3 0.0 4.75708 10.79296 17.17883
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57 3 0.0 4.57293 11.72857 15.14074
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58 1 0.0 4.95906 13.97394 15.03430
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59 1 0.0 6.06811 14.88424 15.99204
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60 1 0.0 4.58442 16.12697 18.39458
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61 1 0.0 2.91579 15.69160 18.33484
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62 1 0.0 6.30641 13.60900 18.79230
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63 1 0.0 5.29326 12.21519 18.88294
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64 2 0.0 13.05017 9.27453 21.06302
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65 4 0.0 13.22363 8.73253 19.67727
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66 2 0.0 12.46841 9.42196 18.58256
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67 4 0.0 11.19480 10.14168 18.90515
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68 2 0.0 11.05337 10.66891 20.30016
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69 4 0.0 11.78824 9.99842 21.42019
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70 4 0.0 12.95863 7.23041 19.64978
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71 4 0.0 9.98593 9.29169 18.52622
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72 4 0.0 10.85140 9.08952 22.20989
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73 3 0.0 13.15446 6.52488 20.71943
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74 3 0.0 12.65239 6.65389 18.52986
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75 3 0.0 10.08724 8.42350 17.56895
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76 3 0.0 8.83919 9.52316 19.08441
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77 3 0.0 9.58446 9.35972 22.25629
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78 3 0.0 11.34338 8.12396 22.92120
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79 1 0.0 13.30695 8.51270 21.82781
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80 1 0.0 13.86236 10.01731 21.19243
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81 1 0.0 13.15621 10.19964 18.19477
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82 1 0.0 12.34371 8.75964 17.70106
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83 1 0.0 11.44941 11.70333 20.26572
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84 1 0.0 9.98790 10.83504 20.56091
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85 2 0.0 19.51848 5.12365 5.80007
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86 4 0.0 19.97495 6.54940 5.74510
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87 2 0.0 20.89012 6.92320 4.61959
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88 4 0.0 21.76730 5.87657 4.00380
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89 2 0.0 21.28205 4.46126 4.07818
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90 4 0.0 20.37198 4.05135 5.19524
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91 4 0.0 20.56721 6.97708 7.08440
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92 4 0.0 23.19172 5.98569 4.53905
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93 4 0.0 21.14957 3.30814 6.27705
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94 3 0.0 20.17218 6.39776 8.17469
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95 3 0.0 21.37277 7.99145 7.13448
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96 3 0.0 23.63632 7.13187 4.95003
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97 3 0.0 23.98190 4.96020 4.47319
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98 3 0.0 22.22095 2.65104 5.95961
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99 3 0.0 20.67169 3.24305 7.48024
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100 1 0.0 19.18861 4.84621 6.82250
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101 1 0.0 18.56668 5.09719 5.23312
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102 1 0.0 20.22614 7.26910 3.80257
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103 1 0.0 21.46600 7.84127 4.85745
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104 1 0.0 20.69928 4.30046 3.14942
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105 1 0.0 22.11866 3.74259 3.95659
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