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lammps/examples/reax/Zn_O_H/data.ZnOH2
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data.ZnOH2
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# ZnOH2 example
105 atoms
3 atom types
0 25.000 xlo xhi
0 25.000 ylo yhi
0 25.000 zlo zhi
Masses
1 1.0080
2 15.9990
3 65.3900
Atoms
1 3 0.0 12.11798 12.78280 12.46474
2 2 0.0 12.30416 12.56916 14.37979
3 2 0.0 12.12265 12.63171 10.53701
4 1 0.0 12.91874 13.12536 14.81289
5 1 0.0 12.65934 11.96727 10.15577
6 3 0.0 1.58040 24.31298 0.61068
7 2 0.0 2.91627 24.72949 1.95019
8 2 0.0 0.48945 23.71942 24.12667
9 1 0.0 3.61429 0.29759 1.69671
10 1 0.0 0.67172 22.87315 23.77336
11 3 0.0 1.38189 13.21679 18.93974
12 2 0.0 24.75026 14.03116 19.59558
13 2 0.0 2.72553 11.96082 18.36057
14 1 0.0 24.80232 14.58872 20.34549
15 1 0.0 2.72772 11.12684 18.78223
16 3 0.0 10.28220 7.25838 22.67157
17 2 0.0 9.71575 6.56657 20.82008
18 2 0.0 9.54424 8.41704 24.03481
19 1 0.0 9.49644 7.16185 20.12191
20 1 0.0 8.69705 8.28870 24.40622
21 3 0.0 8.77480 12.96987 22.47649
22 2 0.0 8.66515 12.00764 20.79751
23 2 0.0 9.22897 14.11643 23.96904
24 1 0.0 9.35719 12.11042 20.17651
25 1 0.0 8.94019 15.00536 23.93842
26 3 0.0 14.01728 9.20480 11.81342
27 2 0.0 15.54778 10.36845 11.59125
28 2 0.0 12.30605 8.39415 12.20116
29 1 0.0 16.34372 10.11892 12.01518
30 1 0.0 11.75428 8.82781 12.82011
31 3 0.0 3.31959 14.28210 24.72110
32 2 0.0 2.70076 15.80638 23.69735
33 2 0.0 3.57881 12.68952 0.78967
34 1 0.0 2.87681 16.65260 24.05533
35 1 0.0 2.95652 12.53609 1.47088
36 3 0.0 18.02652 4.79906 8.51043
37 2 0.0 18.94853 6.50297 8.53165
38 2 0.0 17.36977 2.99183 8.29669
39 1 0.0 19.03997 6.96466 7.72300
40 1 0.0 17.99667 2.29846 8.31262
41 3 0.0 6.52020 20.57673 24.60168
42 2 0.0 8.21127 19.64145 24.44360
43 2 0.0 4.74514 21.32679 24.40734
44 1 0.0 8.80366 19.92974 23.77942
45 1 0.0 4.09966 20.76648 24.02713
46 3 0.0 21.56715 11.68831 19.78805
47 2 0.0 21.06032 10.04683 18.89933
48 2 0.0 21.59033 13.26327 20.91213
49 1 0.0 20.14609 9.92081 18.74583
50 1 0.0 22.11031 13.23728 21.68877
51 3 0.0 3.46476 10.81470 5.54977
52 2 0.0 1.81531 11.35666 4.68960
53 2 0.0 5.26606 10.43021 6.14328
54 1 0.0 1.58282 10.91371 3.89945
55 1 0.0 5.91838 11.07051 5.94665
56 3 0.0 11.47463 5.52361 20.53283
57 2 0.0 12.03967 6.22280 22.37265
58 2 0.0 11.86155 4.50111 18.90066
59 1 0.0 12.85331 6.71281 22.45500
60 1 0.0 12.46688 3.79830 18.92313
61 3 0.0 13.84325 9.73776 20.81219
62 2 0.0 14.64076 10.58418 22.35938
63 2 0.0 13.28566 9.07063 19.08653
64 1 0.0 14.24006 11.36576 22.68132
65 1 0.0 13.82499 9.29075 18.35388
66 3 0.0 3.56971 19.75123 16.14741
67 2 0.0 2.61000 18.27004 16.94796
68 2 0.0 4.24529 21.22096 15.08479
69 1 0.0 2.45624 17.51671 16.41547
70 1 0.0 3.64162 21.89789 14.85702
71 3 0.0 12.89964 21.66576 13.71630
72 2 0.0 13.40113 22.26753 15.48824
73 2 0.0 12.08396 20.91476 12.13021
74 1 0.0 13.39875 21.63410 16.17637
75 1 0.0 11.19771 21.15305 11.95014
76 3 0.0 24.61573 7.23215 13.93967
77 2 0.0 22.71382 6.90606 14.01512
78 2 0.0 1.48982 7.78336 13.53204
79 1 0.0 22.29828 6.44977 13.31505
80 1 0.0 1.65344 8.71176 13.33278
81 3 0.0 17.88434 8.12367 3.54514
82 2 0.0 19.27721 9.14063 4.42293
83 2 0.0 16.79998 6.83289 2.59685
84 1 0.0 19.51530 9.96222 4.04489
85 1 0.0 17.23105 6.25138 2.00467
86 3 0.0 9.87871 1.60680 24.83330
87 2 0.0 9.85901 1.39615 22.90756
88 2 0.0 9.46800 1.80406 1.71444
89 1 0.0 9.43925 2.06388 22.40490
90 1 0.0 8.80208 1.25329 2.07177
91 3 0.0 0.78894 6.68436 23.75692
92 2 0.0 1.91858 5.41167 24.68689
93 2 0.0 24.59213 7.68039 22.60451
94 1 0.0 2.54601 4.94359 24.17511
95 1 0.0 23.78283 7.26758 22.38117
96 3 0.0 3.18381 6.68568 13.82109
97 2 0.0 2.57422 5.10796 14.84012
98 2 0.0 4.95907 7.17379 13.16284
99 1 0.0 2.10641 5.31182 15.62965
100 1 0.0 5.47671 6.53998 12.70878
101 3 0.0 8.53378 12.86625 3.93332
102 2 0.0 10.16990 12.00286 4.50825
103 2 0.0 6.71801 13.53392 3.83669
104 1 0.0 10.20734 11.07072 4.44278
105 1 0.0 6.37259 13.93509 4.60760
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