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