forked from lijiext/lammps
123 lines
4.2 KiB
Plaintext
123 lines
4.2 KiB
Plaintext
# ZnOH2 example
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105 atoms
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3 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 15.9990
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3 65.3900
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Atoms
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1 3 0.0 12.11798 12.78280 12.46474
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2 2 0.0 12.30416 12.56916 14.37979
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3 2 0.0 12.12265 12.63171 10.53701
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4 1 0.0 12.91874 13.12536 14.81289
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5 1 0.0 12.65934 11.96727 10.15577
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6 3 0.0 1.58040 24.31298 0.61068
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7 2 0.0 2.91627 24.72949 1.95019
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8 2 0.0 0.48945 23.71942 24.12667
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9 1 0.0 3.61429 0.29759 1.69671
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10 1 0.0 0.67172 22.87315 23.77336
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11 3 0.0 1.38189 13.21679 18.93974
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12 2 0.0 24.75026 14.03116 19.59558
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13 2 0.0 2.72553 11.96082 18.36057
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14 1 0.0 24.80232 14.58872 20.34549
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15 1 0.0 2.72772 11.12684 18.78223
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16 3 0.0 10.28220 7.25838 22.67157
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17 2 0.0 9.71575 6.56657 20.82008
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18 2 0.0 9.54424 8.41704 24.03481
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19 1 0.0 9.49644 7.16185 20.12191
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20 1 0.0 8.69705 8.28870 24.40622
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21 3 0.0 8.77480 12.96987 22.47649
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22 2 0.0 8.66515 12.00764 20.79751
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23 2 0.0 9.22897 14.11643 23.96904
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24 1 0.0 9.35719 12.11042 20.17651
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25 1 0.0 8.94019 15.00536 23.93842
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26 3 0.0 14.01728 9.20480 11.81342
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27 2 0.0 15.54778 10.36845 11.59125
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28 2 0.0 12.30605 8.39415 12.20116
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29 1 0.0 16.34372 10.11892 12.01518
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30 1 0.0 11.75428 8.82781 12.82011
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31 3 0.0 3.31959 14.28210 24.72110
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32 2 0.0 2.70076 15.80638 23.69735
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33 2 0.0 3.57881 12.68952 0.78967
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34 1 0.0 2.87681 16.65260 24.05533
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35 1 0.0 2.95652 12.53609 1.47088
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36 3 0.0 18.02652 4.79906 8.51043
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37 2 0.0 18.94853 6.50297 8.53165
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38 2 0.0 17.36977 2.99183 8.29669
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39 1 0.0 19.03997 6.96466 7.72300
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40 1 0.0 17.99667 2.29846 8.31262
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41 3 0.0 6.52020 20.57673 24.60168
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42 2 0.0 8.21127 19.64145 24.44360
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43 2 0.0 4.74514 21.32679 24.40734
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44 1 0.0 8.80366 19.92974 23.77942
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45 1 0.0 4.09966 20.76648 24.02713
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46 3 0.0 21.56715 11.68831 19.78805
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47 2 0.0 21.06032 10.04683 18.89933
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48 2 0.0 21.59033 13.26327 20.91213
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49 1 0.0 20.14609 9.92081 18.74583
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50 1 0.0 22.11031 13.23728 21.68877
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51 3 0.0 3.46476 10.81470 5.54977
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52 2 0.0 1.81531 11.35666 4.68960
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53 2 0.0 5.26606 10.43021 6.14328
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54 1 0.0 1.58282 10.91371 3.89945
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55 1 0.0 5.91838 11.07051 5.94665
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56 3 0.0 11.47463 5.52361 20.53283
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57 2 0.0 12.03967 6.22280 22.37265
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58 2 0.0 11.86155 4.50111 18.90066
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59 1 0.0 12.85331 6.71281 22.45500
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60 1 0.0 12.46688 3.79830 18.92313
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61 3 0.0 13.84325 9.73776 20.81219
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62 2 0.0 14.64076 10.58418 22.35938
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63 2 0.0 13.28566 9.07063 19.08653
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64 1 0.0 14.24006 11.36576 22.68132
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65 1 0.0 13.82499 9.29075 18.35388
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66 3 0.0 3.56971 19.75123 16.14741
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67 2 0.0 2.61000 18.27004 16.94796
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68 2 0.0 4.24529 21.22096 15.08479
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69 1 0.0 2.45624 17.51671 16.41547
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70 1 0.0 3.64162 21.89789 14.85702
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71 3 0.0 12.89964 21.66576 13.71630
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72 2 0.0 13.40113 22.26753 15.48824
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73 2 0.0 12.08396 20.91476 12.13021
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74 1 0.0 13.39875 21.63410 16.17637
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75 1 0.0 11.19771 21.15305 11.95014
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76 3 0.0 24.61573 7.23215 13.93967
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77 2 0.0 22.71382 6.90606 14.01512
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78 2 0.0 1.48982 7.78336 13.53204
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79 1 0.0 22.29828 6.44977 13.31505
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80 1 0.0 1.65344 8.71176 13.33278
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81 3 0.0 17.88434 8.12367 3.54514
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82 2 0.0 19.27721 9.14063 4.42293
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83 2 0.0 16.79998 6.83289 2.59685
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84 1 0.0 19.51530 9.96222 4.04489
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85 1 0.0 17.23105 6.25138 2.00467
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86 3 0.0 9.87871 1.60680 24.83330
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87 2 0.0 9.85901 1.39615 22.90756
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88 2 0.0 9.46800 1.80406 1.71444
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89 1 0.0 9.43925 2.06388 22.40490
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90 1 0.0 8.80208 1.25329 2.07177
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91 3 0.0 0.78894 6.68436 23.75692
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92 2 0.0 1.91858 5.41167 24.68689
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93 2 0.0 24.59213 7.68039 22.60451
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94 1 0.0 2.54601 4.94359 24.17511
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95 1 0.0 23.78283 7.26758 22.38117
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96 3 0.0 3.18381 6.68568 13.82109
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97 2 0.0 2.57422 5.10796 14.84012
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98 2 0.0 4.95907 7.17379 13.16284
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99 1 0.0 2.10641 5.31182 15.62965
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100 1 0.0 5.47671 6.53998 12.70878
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101 3 0.0 8.53378 12.86625 3.93332
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102 2 0.0 10.16990 12.00286 4.50825
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103 2 0.0 6.71801 13.53392 3.83669
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104 1 0.0 10.20734 11.07072 4.44278
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105 1 0.0 6.37259 13.93509 4.60760
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