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lammps/examples/reax/Fe_O_H/data.FeOH3
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# FeOH3 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 15.9994
3 55.8450
Atoms
1 3 0.0 14.63130 11.53919 10.02566
2 2 0.0 14.66818 11.64433 8.31385
3 2 0.0 13.19732 11.59171 10.97982
4 2 0.0 16.09606 11.79339 10.90520
5 1 0.0 15.37579 11.57108 7.64798
6 1 0.0 13.03522 11.61430 11.93898
7 1 0.0 16.34568 11.57890 11.82994
8 3 0.0 4.23334 23.22931 22.91765
9 2 0.0 3.17949 22.76642 21.63236
10 2 0.0 3.72561 23.54563 24.52094
11 2 0.0 5.92362 23.49124 22.55535
12 1 0.0 3.33529 22.57874 20.68991
13 1 0.0 4.19726 23.80080 0.33508
14 1 0.0 6.68129 23.69266 23.13075
15 3 0.0 3.09410 12.02471 16.65602
16 2 0.0 4.53790 11.22867 16.12595
17 2 0.0 1.98216 12.79921 15.59862
18 2 0.0 2.94350 12.44420 18.32254
19 1 0.0 5.24401 10.77330 16.61803
20 1 0.0 1.10176 13.19382 15.77157
21 1 0.0 2.24435 12.85961 18.85529
22 3 0.0 11.46014 6.57998 19.54155
23 2 0.0 11.41247 7.36935 21.07367
24 2 0.0 12.10967 5.02110 19.27082
25 2 0.0 10.74290 7.40346 18.15014
26 1 0.0 11.04310 8.22526 21.35875
27 1 0.0 12.23932 4.47293 18.47557
28 1 0.0 10.67373 7.10685 17.22712
29 3 0.0 11.08460 12.33864 19.28104
30 2 0.0 11.34836 13.23119 20.73896
31 2 0.0 9.92831 11.10473 19.09894
32 2 0.0 12.09164 12.69825 17.89278
33 1 0.0 11.96775 13.94859 20.96031
34 1 0.0 9.68067 10.50031 18.37427
35 1 0.0 12.10206 12.31962 16.99755
36 3 0.0 16.30156 8.77946 9.35117
37 2 0.0 14.89172 7.88636 9.75359
38 2 0.0 16.88966 9.02164 7.73765
39 2 0.0 17.49737 9.08373 10.64053
40 1 0.0 14.48147 7.61584 10.59321
41 1 0.0 17.67137 9.46163 7.36999
42 1 0.0 18.17147 9.79838 10.64156
43 3 0.0 5.13212 13.69884 22.13154
44 2 0.0 5.48279 12.35370 23.11195
45 2 0.0 5.09394 13.69454 20.44390
46 2 0.0 4.66841 15.19478 22.89478
47 1 0.0 5.62303 12.19015 24.06195
48 1 0.0 4.81388 14.30156 19.73513
49 1 0.0 4.45081 16.06980 22.52921
50 3 0.0 20.66764 3.98511 5.60363
51 2 0.0 19.99184 2.40263 5.50286
52 2 0.0 20.51708 5.02486 6.95773
53 2 0.0 21.60880 4.57878 4.24996
54 1 0.0 20.00878 1.72191 4.80697
55 1 0.0 20.82035 5.93286 7.13931
56 1 0.0 22.07480 5.42038 4.11310
57 3 0.0 8.85743 19.34284 21.52754
58 2 0.0 7.27070 20.01992 21.47027
59 2 0.0 9.69182 18.97544 22.97169
60 2 0.0 9.65070 18.93927 20.02944
61 1 0.0 6.71593 20.32474 20.72955
62 1 0.0 10.56063 18.57499 23.16295
63 1 0.0 10.51934 18.54777 19.83721
64 3 0.0 23.51972 10.47305 17.25322
65 2 0.0 23.97098 11.96260 18.04948
66 2 0.0 24.54307 9.59907 16.22117
67 2 0.0 21.90294 9.84477 17.50180
68 1 0.0 23.46396 12.52267 18.66351
69 1 0.0 24.45997 8.77863 15.69939
70 1 0.0 21.46999 9.04903 17.14619
71 3 0.0 5.60291 10.17273 2.44803
72 2 0.0 7.16694 9.77649 3.07411
73 2 0.0 4.24384 10.54236 3.41008
74 2 0.0 5.39786 10.28750 0.72616
75 1 0.0 8.00942 9.55137 2.64434
76 1 0.0 3.31957 10.78047 3.20702
77 1 0.0 4.62129 10.42132 0.15716
78 3 0.0 16.37311 9.22286 18.09708
79 2 0.0 15.78190 8.64503 16.57376
80 2 0.0 16.64835 8.23357 19.45928
81 2 0.0 16.63400 10.94106 18.29447
82 1 0.0 15.62322 9.10143 15.72854
83 1 0.0 16.95513 8.40601 20.36893
84 1 0.0 16.95257 11.45993 19.05240
85 3 0.0 5.28764 18.69912 13.31319
86 2 0.0 5.98620 20.03778 12.47788
87 2 0.0 5.53460 18.35154 14.97223
88 2 0.0 4.20516 17.64051 12.43642
89 1 0.0 5.91944 20.34771 11.55794
90 1 0.0 5.23156 17.63037 15.55409
91 1 0.0 3.72069 16.84340 12.70885
92 3 0.0 14.77099 20.78362 11.41422
93 2 0.0 14.16229 20.18810 9.91169
94 2 0.0 15.97692 21.98487 11.56211
95 2 0.0 14.12859 20.12000 12.89882
96 1 0.0 13.48968 19.51852 9.69561
97 1 0.0 16.41268 22.41296 12.32187
98 1 0.0 14.32168 20.31720 13.83061
99 3 0.0 1.41350 6.47339 10.98887
100 2 0.0 3.11373 6.73061 10.88875
101 2 0.0 0.51986 6.36995 12.45155
102 2 0.0 0.51098 6.26826 9.49521
103 1 0.0 3.72376 6.83273 10.13691
104 1 0.0 24.57790 6.21134 12.64347
105 1 0.0 24.56896 6.08899 9.34052
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