forked from lijiext/lammps
123 lines
4.2 KiB
Plaintext
123 lines
4.2 KiB
Plaintext
# CHO 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 12.0107
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3 15.9994
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Atoms
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1 2 0.0 10.67229 14.36836 12.47166
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2 1 0.0 11.02446 14.91550 13.35233
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3 1 0.0 11.02446 14.91549 11.59096
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4 1 0.0 9.57932 14.41980 12.47166
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5 2 0.0 11.17534 12.87608 12.47165
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6 1 0.0 10.79792 12.33546 13.34037
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7 1 0.0 10.79790 12.33545 11.60294
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8 2 0.0 12.75013 12.93134 12.47163
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9 1 0.0 13.13241 13.47175 11.60486
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10 1 0.0 13.13241 13.47210 13.33818
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11 2 0.0 13.22294 11.42815 12.47199
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12 1 0.0 12.83858 10.89166 11.60377
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13 1 0.0 12.83959 10.89255 13.34119
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14 2 0.0 14.79762 11.45137 12.47107
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15 1 0.0 15.21044 10.43808 12.47354
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16 1 0.0 15.19550 11.96345 11.58877
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17 1 0.0 15.19648 11.96815 13.35018
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18 2 0.0 0.24250 0.91354 1.10383
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19 1 0.0 0.97225 1.67509 1.39797
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20 1 0.0 24.87363 1.18825 0.11010
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21 1 0.0 24.39847 0.98637 1.79630
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22 2 0.0 0.86944 24.46895 1.11508
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23 1 0.0 1.21047 24.19771 2.11484
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24 1 0.0 0.12679 23.71752 0.84453
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25 2 0.0 2.06454 24.48829 0.08825
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26 1 0.0 1.72846 24.75977 24.08683
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27 1 0.0 2.80951 0.23920 0.35408
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28 2 0.0 2.67036 23.03401 0.12171
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29 1 0.0 1.92204 22.28680 24.85503
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30 1 0.0 3.00638 22.76782 1.12450
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31 2 0.0 3.87027 23.02208 24.10132
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32 1 0.0 4.35176 22.04072 24.06515
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33 1 0.0 3.54082 23.26189 23.08511
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34 1 0.0 4.63935 23.75310 24.37121
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35 2 0.0 1.37929 14.62909 17.52744
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36 1 0.0 1.08393 15.52196 18.08818
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37 1 0.0 2.47385 14.59977 17.52258
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38 1 0.0 1.05260 14.77122 16.49293
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39 2 0.0 0.76275 13.31937 18.14786
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40 1 0.0 24.67295 13.35030 18.12450
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41 1 0.0 1.04396 12.44064 17.56651
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42 2 0.0 1.30113 13.22425 19.62581
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43 1 0.0 2.39107 13.19385 19.65447
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44 1 0.0 1.02336 14.10169 20.21106
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45 2 0.0 0.66878 11.90830 20.21883
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46 1 0.0 0.94960 11.03396 19.63080
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47 1 0.0 24.57945 11.94426 20.18968
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48 2 0.0 1.19125 11.78568 21.69954
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49 1 0.0 0.79365 10.89123 22.18875
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50 1 0.0 2.28374 11.72162 21.74071
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51 1 0.0 0.89616 12.64769 22.30679
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52 2 0.0 11.41750 7.16471 22.76002
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53 1 0.0 11.74866 7.28340 21.72336
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54 1 0.0 11.72154 8.06612 23.30055
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55 1 0.0 11.97469 6.32478 23.18558
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56 2 0.0 9.86319 6.92474 22.85179
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57 1 0.0 9.57626 6.01094 22.33031
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58 1 0.0 9.54930 6.78307 23.88660
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59 2 0.0 9.17390 8.18942 22.21244
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60 1 0.0 9.45849 9.10599 22.73021
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61 1 0.0 9.48557 8.33580 21.17777
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62 2 0.0 7.62459 7.92132 22.31840
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63 1 0.0 7.31756 7.77569 23.35472
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64 1 0.0 7.34468 7.00469 21.79795
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65 2 0.0 6.90692 9.17258 21.68631
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66 1 0.0 5.81845 9.06496 21.71809
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67 1 0.0 7.15914 10.09632 22.21721
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68 1 0.0 7.18992 9.31630 20.63835
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69 2 0.0 4.69047 14.13340 23.48572
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70 1 0.0 4.95366 15.17281 23.26391
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71 1 0.0 5.39163 13.78010 24.24888
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72 1 0.0 4.87514 13.55000 22.57874
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73 2 0.0 3.19477 13.99798 23.95930
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74 1 0.0 2.50599 14.33002 23.18163
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75 1 0.0 2.93803 12.95591 24.15345
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76 2 0.0 3.05322 14.87431 0.26136
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77 1 0.0 3.74058 14.54651 1.04202
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78 1 0.0 3.30993 15.91730 0.07257
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79 2 0.0 1.55058 14.71961 0.71013
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80 1 0.0 1.29864 13.67531 0.89801
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81 1 0.0 0.86725 15.05003 24.92701
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82 2 0.0 1.37850 15.58633 2.01380
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83 1 0.0 0.35341 15.53527 2.39297
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84 1 0.0 2.04062 15.24695 2.81709
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85 1 0.0 1.60704 16.64178 1.83261
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86 3 0.0 8.51658 13.05007 22.43728
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87 3 0.0 9.43965 13.72051 21.88842
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88 3 0.0 18.16518 4.73455 8.81928
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89 3 0.0 18.65469 4.57291 7.66370
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90 3 0.0 6.43553 20.34119 24.80049
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91 3 0.0 6.44898 20.31621 23.53493
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92 3 0.0 21.90539 11.54301 19.82384
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93 3 0.0 20.76137 11.61918 20.36007
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94 3 0.0 3.42232 11.07545 5.77130
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95 3 0.0 3.88671 10.95299 4.60048
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96 3 0.0 11.93988 4.94134 20.86058
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97 3 0.0 12.98804 5.47798 20.39555
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98 3 0.0 14.08646 9.50799 20.80806
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99 3 0.0 14.09449 10.68237 20.33642
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100 3 0.0 3.45246 19.93144 16.38965
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101 3 0.0 2.86282 19.60263 15.31936
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102 3 0.0 12.85008 21.95287 13.63796
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103 3 0.0 12.06593 21.16486 14.24238
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104 3 0.0 24.47055 7.42219 14.24997
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105 3 0.0 24.43181 7.37102 12.98624
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