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lammps/examples/reax/AB/data.AB
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# Ammonia Borane
104 atoms
3 atom types
0 25.000 xlo xhi
0 25.000 ylo yhi
0 25.000 zlo zhi
Masses
1 1.0080
2 10.8117
3 14.0067
Atoms
1 3 0.0 21.58564 10.86619 4.70885
2 1 0.0 21.19760 9.94446 4.74054
3 1 0.0 21.14376 11.32383 5.48963
4 1 0.0 22.52969 10.72323 5.03709
5 2 0.0 21.33003 11.52202 3.17801
6 1 0.0 20.16015 11.81000 3.18142
7 1 0.0 22.10959 12.43989 3.23920
8 1 0.0 21.67217 10.56122 2.52638
9 3 0.0 4.24143 19.61017 3.81309
10 1 0.0 3.56235 19.79503 4.54088
11 1 0.0 3.71635 19.01681 3.17657
12 1 0.0 4.26467 20.49478 3.31128
13 2 0.0 5.67609 18.91643 4.40855
14 1 0.0 5.24445 17.78451 4.37952
15 1 0.0 6.37233 19.23409 3.46283
16 1 0.0 6.25149 19.12579 5.47206
17 3 0.0 0.89462 7.91396 14.99527
18 1 0.0 0.72479 8.43031 15.83903
19 1 0.0 1.24806 8.61493 14.37633
20 1 0.0 1.70866 7.41947 15.22380
21 2 0.0 24.55492 6.97703 14.54765
22 1 0.0 24.03223 6.60612 15.57703
23 1 0.0 23.92498 7.80225 13.92379
24 1 0.0 0.02583 6.09167 13.87354
25 3 0.0 4.66465 16.82677 16.99192
26 1 0.0 4.62534 16.28658 16.13848
27 1 0.0 3.74455 16.70664 17.37073
28 1 0.0 5.23064 16.24589 17.59551
29 2 0.0 5.02445 18.47393 16.97100
30 1 0.0 4.62973 18.72985 18.08626
31 1 0.0 6.20730 18.68932 16.81563
32 1 0.0 4.32199 18.83556 16.05590
33 3 0.0 7.48903 15.88476 18.79121
34 1 0.0 8.31121 15.49673 19.21568
35 1 0.0 6.87045 15.09772 18.76578
36 1 0.0 7.10399 16.44296 19.54910
37 2 0.0 7.93310 16.32894 17.23434
38 1 0.0 8.43068 15.30470 16.80480
39 1 0.0 6.95342 16.67000 16.59839
40 1 0.0 8.73737 17.23060 17.31825
41 3 0.0 19.55405 16.45468 3.81603
42 1 0.0 19.01196 16.26900 4.64950
43 1 0.0 18.84178 16.63550 3.12282
44 1 0.0 19.92571 17.37229 3.99337
45 2 0.0 20.78058 15.38170 3.37516
46 1 0.0 21.31391 15.94910 2.45252
47 1 0.0 21.43655 15.29867 4.38599
48 1 0.0 20.19343 14.37495 3.05930
49 3 0.0 11.25650 13.93863 6.50513
50 1 0.0 10.47802 13.34119 6.29339
51 1 0.0 10.88883 14.52507 7.24873
52 1 0.0 11.88104 13.31764 7.00803
53 2 0.0 11.80335 14.65105 5.07290
54 1 0.0 10.81860 15.20998 4.64424
55 1 0.0 12.62637 15.36828 5.60115
56 1 0.0 12.23749 13.81655 4.31005
57 3 0.0 14.12278 18.92964 16.18553
58 1 0.0 13.86785 18.29885 16.93515
59 1 0.0 14.63200 19.65592 16.67737
60 1 0.0 14.85867 18.42143 15.71710
61 2 0.0 12.82506 19.32328 15.17366
62 1 0.0 12.30690 18.24359 15.00075
63 1 0.0 12.09247 20.11034 15.72994
64 1 0.0 13.40632 19.74074 14.20032
65 3 0.0 7.15975 7.91772 21.87223
66 1 0.0 6.94095 8.85484 22.14906
67 1 0.0 7.14577 7.42244 22.75116
68 1 0.0 6.30154 7.60932 21.43191
69 2 0.0 8.65756 7.96870 21.10184
70 1 0.0 9.23138 8.64523 21.92967
71 1 0.0 9.14659 6.87844 20.90953
72 1 0.0 8.38539 8.53998 20.07235
73 3 0.0 3.60275 6.07904 14.47750
74 1 0.0 3.06913 6.82785 14.81958
75 1 0.0 4.31760 6.55009 13.96420
76 1 0.0 4.08183 5.77530 15.28947
77 2 0.0 2.92592 4.66779 13.85448
78 1 0.0 3.93110 4.13782 13.43914
79 1 0.0 2.38889 4.03886 14.73441
80 1 0.0 2.16003 5.04498 12.99309
81 3 0.0 19.85292 10.63565 14.28476
82 1 0.0 20.41401 10.45720 13.46284
83 1 0.0 19.71088 11.63033 14.24389
84 1 0.0 18.94474 10.27406 14.01871
85 2 0.0 20.47644 10.22299 15.80000
86 1 0.0 20.56662 9.01697 15.78854
87 1 0.0 21.53177 10.81320 15.70304
88 1 0.0 19.76851 10.65037 16.68948
89 3 0.0 9.35755 2.14123 0.37265
90 1 0.0 9.85587 2.70547 1.05361
91 1 0.0 9.77467 2.42073 24.50548
92 1 0.0 9.75048 1.22190 0.52235
93 2 0.0 7.67209 2.24069 0.25918
94 1 0.0 7.61413 3.39707 24.90925
95 1 0.0 7.02283 1.51970 24.53256
96 1 0.0 7.45770 2.01651 1.43307
97 3 0.0 14.57295 16.09372 1.38098
98 1 0.0 14.96678 16.71455 2.07503
99 1 0.0 14.15675 16.73222 0.71986
100 1 0.0 15.38847 15.76347 0.88832
101 2 0.0 13.58777 14.84818 1.95819
102 1 0.0 14.21056 14.18883 2.76070
103 1 0.0 12.64767 15.42497 2.46003
104 1 0.0 13.37239 14.31125 0.90033
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