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lammps/examples/USER/eff/Auger-Adamantane/data.adamantane_ionized
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data.adamantane_ionized
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Created by AJB
101 atoms
3 atom types
-50.0 50.0 xlo xhi
-50.0 50.0 ylo yhi
-50.0 50.0 zlo zhi
Masses
1 12.01070 # C nuclei
2 1.000794 # H nuclei
3 1.000000 # electron
Atoms
1 1 0.22423 2.918607 1.015812 6 0 0.00
2 1 -0.63445 1.31446 3.390303 6 0 0.00
3 1 -0.670162 -1.590173 2.675707 6 0 0.00
4 1 -2.586695 -2.037708 0.422846 6 0 0.00
5 1 -1.729127 -0.435706 -1.953488 6 0 0.00
6 1 -1.692867 2.468206 -1.236 6 0 0.00
7 1 2.071281 -2.442011 1.834504 6 0 0.00
8 1 2.965108 2.063979 0.175607 6 0 0.00
9 1 1.013015 -1.288254 -2.791737 6 0 0.00
10 1 2.931847 -0.84022 -0.540904 6 0 0.00
11 2 -3.23707 -0.788493 -3.724286 1 0 0.00
12 2 -4.691469 -1.429253 1.05608 1 0 0.00
13 2 -2.657034 -4.253233 -0.113602 1 0 0.00
14 2 -1.345725 -2.850372 4.543752 1 0 0.00
15 2 -2.707861 1.976434 4.071194 1 0 0.00
16 2 0.79423 1.672161 5.131751 1 0 0.00
17 2 0.251667 5.202465 1.579125 1 0 0.00
18 2 2.074796 -4.663951 1.320307 1 0 0.00
19 2 3.542471 -2.144066 3.551451 1 0 0.00
20 2 5.087753 -1.51102 -1.201338 1 0 0.00
21 2 -1.077021 3.711707 -3.045901 1 0 0.00
22 2 -3.783389 3.148492 -0.629227 1 0 0.00
23 2 1.671766 -0.104421 -4.626344 1 0 0.00
24 2 0.999815 -3.49189 -3.379184 1 0 0.00
25 2 4.450647 2.434018 1.865941 1 0 0.00
26 2 3.65466 3.300997 -1.612081 1 0 0.00
27 3 -0.634804 1.31502 3.391634 0 -1 0.328405
28 3 -0.670512 -1.590826 2.676675 0 -1 0.328107
29 3 -2.587889 -2.038591 0.422899 0 -1 0.328405
30 3 -1.729909 -0.435889 -1.954405 0 -1 0.328107
31 3 -1.693676 2.469262 -1.236661 0 -1 0.328405
32 3 2.072091 -2.443067 1.835165 0 -1 0.328405
33 3 2.966303 2.064861 0.175553 0 -1 0.328405
34 3 1.01337 -1.288814 -2.793067 0 -1 0.328405
35 3 2.932965 -0.840567 -0.541247 0 -1 0.328108
36 3 -0.210743 2.123398 2.223462 0 -1 1.326096
37 3 -0.657351 -0.127988 3.052304 0 -1 1.326096
38 3 -1.646634 -1.826737 1.548546 0 -1 1.326093
39 3 -2.175416 -1.25026 -0.762988 0 -1 1.326095
40 3 -0.747076 2.708081 -0.120938 0 -1 1.326093
41 3 -1.722464 1.033139 -1.603613 0 -1 1.326095
42 3 0.713852 -2.031645 2.263933 0 -1 1.326092
43 3 1.613424 2.503259 0.59442 0 -1 1.326092
44 3 -0.351222 -0.870483 -2.392027 0 -1 1.326098
45 3 2.512477 -1.657113 0.657756 0 -1 1.3261
46 3 2.965428 0.626295 -0.182887 0 -1 1.326099
47 3 1.976186 -1.072464 -1.68666 0 -1 1.326101
48 3 -2.952851 -0.722 -3.390526 0 -1 1.603792
49 3 -4.265445 -1.534526 0.932369 0 -1 1.558563
50 3 -2.625986 -3.810249 -0.010226 0 -1 1.558562
51 3 -1.218394 -2.612849 4.191661 0 -1 1.603792
52 3 -2.300135 1.839753 3.919625 0 -1 1.558507
53 3 0.522041 1.594565 4.77431 0 -1 1.55862
54 3 0.246496 4.772002 1.472951 0 -1 1.603792
55 3 2.062319 -4.217199 1.410516 0 -1 1.558582
56 3 3.245048 -2.186529 3.208486 0 -1 1.558537
57 3 4.681408 -1.384588 -1.07686 0 -1 1.603791
58 3 -1.184793 3.454906 -2.684898 0 -1 1.558565
59 3 -3.365733 3.001032 -0.737405 0 -1 1.558559
60 3 1.538708 -0.326106 -4.250794 0 -1 1.558551
61 3 0.997214 -3.055912 -3.245768 0 -1 1.558563
62 3 4.144833 2.349324 1.538532 0 -1 1.558524
63 3 3.503398 3.047996 -1.264247 0 -1 1.558594
64 3 0.224244 2.91979 1.016104 0 1 0.328107
65 3 -0.634804 1.31502 3.391634 0 1 0.328405
66 3 -0.670512 -1.590826 2.676675 0 1 0.328107
67 3 -2.587889 -2.038591 0.422899 0 1 0.328405
68 3 -1.729909 -0.435889 -1.954405 0 1 0.328107
69 3 -1.693676 2.469262 -1.236661 0 1 0.328405
70 3 2.072091 -2.443067 1.835165 0 1 0.328405
71 3 2.966303 2.064861 0.175553 0 1 0.328405
72 3 1.01337 -1.288814 -2.793067 0 1 0.328405
73 3 2.932965 -0.840567 -0.541247 0 1 0.328108
74 3 -0.210743 2.123398 2.223462 0 1 1.326096
75 3 -0.657351 -0.127988 3.052304 0 1 1.326096
76 3 -1.646634 -1.826737 1.548546 0 1 1.326093
77 3 -2.175416 -1.250259 -0.762988 0 1 1.326094
78 3 -0.747076 2.708081 -0.120938 0 1 1.326094
79 3 -1.722464 1.033139 -1.603613 0 1 1.326096
80 3 0.713852 -2.031645 2.263933 0 1 1.326092
81 3 1.613424 2.503259 0.59442 0 1 1.326092
82 3 -0.351222 -0.870483 -2.392027 0 1 1.326098
83 3 2.512477 -1.657113 0.657756 0 1 1.3261
84 3 2.965428 0.626295 -0.182887 0 1 1.326099
85 3 1.976186 -1.072464 -1.68666 0 1 1.326101
86 3 -2.952851 -0.722 -3.390526 0 1 1.603792
87 3 -4.265445 -1.534526 0.932369 0 1 1.558563
88 3 -2.625986 -3.810249 -0.010226 0 1 1.558562
89 3 -1.218394 -2.612849 4.191661 0 1 1.603792
90 3 -2.300135 1.839753 3.919625 0 1 1.558507
91 3 0.522041 1.594565 4.77431 0 1 1.55862
92 3 0.246496 4.772002 1.472951 0 1 1.603792
93 3 2.062319 -4.217199 1.410516 0 1 1.558582
94 3 3.245048 -2.186529 3.208486 0 1 1.558537
95 3 4.681408 -1.384588 -1.07686 0 1 1.603791
96 3 -1.184793 3.454906 -2.684898 0 1 1.558565
97 3 -3.365733 3.001032 -0.737405 0 1 1.558559
98 3 1.538708 -0.326106 -4.250794 0 1 1.558551
99 3 0.997214 -3.055912 -3.245768 0 1 1.558563
100 3 4.144833 2.349324 1.538532 0 1 1.558524
101 3 3.503398 3.047996 -1.264247 0 1 1.558594
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