forked from lijiext/lammps
122 lines
4.2 KiB
Plaintext
122 lines
4.2 KiB
Plaintext
# Ammonia Borane
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104 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 10.8117
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3 14.0067
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Atoms
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1 3 0.0 21.58564 10.86619 4.70885
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2 1 0.0 21.19760 9.94446 4.74054
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3 1 0.0 21.14376 11.32383 5.48963
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4 1 0.0 22.52969 10.72323 5.03709
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5 2 0.0 21.33003 11.52202 3.17801
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6 1 0.0 20.16015 11.81000 3.18142
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7 1 0.0 22.10959 12.43989 3.23920
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8 1 0.0 21.67217 10.56122 2.52638
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9 3 0.0 4.24143 19.61017 3.81309
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10 1 0.0 3.56235 19.79503 4.54088
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11 1 0.0 3.71635 19.01681 3.17657
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12 1 0.0 4.26467 20.49478 3.31128
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13 2 0.0 5.67609 18.91643 4.40855
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14 1 0.0 5.24445 17.78451 4.37952
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15 1 0.0 6.37233 19.23409 3.46283
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16 1 0.0 6.25149 19.12579 5.47206
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17 3 0.0 0.89462 7.91396 14.99527
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18 1 0.0 0.72479 8.43031 15.83903
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19 1 0.0 1.24806 8.61493 14.37633
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20 1 0.0 1.70866 7.41947 15.22380
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21 2 0.0 24.55492 6.97703 14.54765
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22 1 0.0 24.03223 6.60612 15.57703
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23 1 0.0 23.92498 7.80225 13.92379
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24 1 0.0 0.02583 6.09167 13.87354
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25 3 0.0 4.66465 16.82677 16.99192
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26 1 0.0 4.62534 16.28658 16.13848
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27 1 0.0 3.74455 16.70664 17.37073
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28 1 0.0 5.23064 16.24589 17.59551
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29 2 0.0 5.02445 18.47393 16.97100
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30 1 0.0 4.62973 18.72985 18.08626
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31 1 0.0 6.20730 18.68932 16.81563
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32 1 0.0 4.32199 18.83556 16.05590
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33 3 0.0 7.48903 15.88476 18.79121
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34 1 0.0 8.31121 15.49673 19.21568
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35 1 0.0 6.87045 15.09772 18.76578
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36 1 0.0 7.10399 16.44296 19.54910
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37 2 0.0 7.93310 16.32894 17.23434
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38 1 0.0 8.43068 15.30470 16.80480
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39 1 0.0 6.95342 16.67000 16.59839
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40 1 0.0 8.73737 17.23060 17.31825
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41 3 0.0 19.55405 16.45468 3.81603
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42 1 0.0 19.01196 16.26900 4.64950
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43 1 0.0 18.84178 16.63550 3.12282
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44 1 0.0 19.92571 17.37229 3.99337
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45 2 0.0 20.78058 15.38170 3.37516
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46 1 0.0 21.31391 15.94910 2.45252
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47 1 0.0 21.43655 15.29867 4.38599
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48 1 0.0 20.19343 14.37495 3.05930
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49 3 0.0 11.25650 13.93863 6.50513
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50 1 0.0 10.47802 13.34119 6.29339
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51 1 0.0 10.88883 14.52507 7.24873
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52 1 0.0 11.88104 13.31764 7.00803
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53 2 0.0 11.80335 14.65105 5.07290
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54 1 0.0 10.81860 15.20998 4.64424
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55 1 0.0 12.62637 15.36828 5.60115
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56 1 0.0 12.23749 13.81655 4.31005
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57 3 0.0 14.12278 18.92964 16.18553
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58 1 0.0 13.86785 18.29885 16.93515
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59 1 0.0 14.63200 19.65592 16.67737
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60 1 0.0 14.85867 18.42143 15.71710
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61 2 0.0 12.82506 19.32328 15.17366
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62 1 0.0 12.30690 18.24359 15.00075
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63 1 0.0 12.09247 20.11034 15.72994
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64 1 0.0 13.40632 19.74074 14.20032
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65 3 0.0 7.15975 7.91772 21.87223
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66 1 0.0 6.94095 8.85484 22.14906
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67 1 0.0 7.14577 7.42244 22.75116
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68 1 0.0 6.30154 7.60932 21.43191
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69 2 0.0 8.65756 7.96870 21.10184
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70 1 0.0 9.23138 8.64523 21.92967
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71 1 0.0 9.14659 6.87844 20.90953
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72 1 0.0 8.38539 8.53998 20.07235
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73 3 0.0 3.60275 6.07904 14.47750
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74 1 0.0 3.06913 6.82785 14.81958
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75 1 0.0 4.31760 6.55009 13.96420
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76 1 0.0 4.08183 5.77530 15.28947
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77 2 0.0 2.92592 4.66779 13.85448
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78 1 0.0 3.93110 4.13782 13.43914
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79 1 0.0 2.38889 4.03886 14.73441
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80 1 0.0 2.16003 5.04498 12.99309
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81 3 0.0 19.85292 10.63565 14.28476
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82 1 0.0 20.41401 10.45720 13.46284
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83 1 0.0 19.71088 11.63033 14.24389
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84 1 0.0 18.94474 10.27406 14.01871
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85 2 0.0 20.47644 10.22299 15.80000
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86 1 0.0 20.56662 9.01697 15.78854
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87 1 0.0 21.53177 10.81320 15.70304
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88 1 0.0 19.76851 10.65037 16.68948
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89 3 0.0 9.35755 2.14123 0.37265
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90 1 0.0 9.85587 2.70547 1.05361
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91 1 0.0 9.77467 2.42073 24.50548
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92 1 0.0 9.75048 1.22190 0.52235
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93 2 0.0 7.67209 2.24069 0.25918
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94 1 0.0 7.61413 3.39707 24.90925
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95 1 0.0 7.02283 1.51970 24.53256
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96 1 0.0 7.45770 2.01651 1.43307
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97 3 0.0 14.57295 16.09372 1.38098
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98 1 0.0 14.96678 16.71455 2.07503
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99 1 0.0 14.15675 16.73222 0.71986
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100 1 0.0 15.38847 15.76347 0.88832
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101 2 0.0 13.58777 14.84818 1.95819
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102 1 0.0 14.21056 14.18883 2.76070
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103 1 0.0 12.64767 15.42497 2.46003
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104 1 0.0 13.37239 14.31125 0.90033
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