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lammps/examples/USER/eff/Auger-Adamantane/data.adamantane_ionized
775e8f3cc8f5lammm-master-deprecated

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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 6.00 0 0.000000 0.224230 2.918607 1.015812
2 1 6.00 0 0.000000 -0.634450 1.314460 3.390303
3 1 6.00 0 0.000000 -0.670162 -1.590173 2.675707
4 1 6.00 0 0.000000 -2.586695 -2.037708 0.422846
5 1 6.00 0 0.000000 -1.729127 -0.435706 -1.953488
6 1 6.00 0 0.000000 -1.692867 2.468206 -1.236000
7 1 6.00 0 0.000000 2.071281 -2.442011 1.834504
8 1 6.00 0 0.000000 2.965108 2.063979 0.175607
9 1 6.00 0 0.000000 1.013015 -1.288254 -2.791737
10 1 6.00 0 0.000000 2.931847 -0.840220 -0.540904
11 2 1.00 0 0.000000 -3.237070 -0.788493 -3.724286
12 2 1.00 0 0.000000 -4.691469 -1.429253 1.056080
13 2 1.00 0 0.000000 -2.657034 -4.253233 -0.113602
14 2 1.00 0 0.000000 -1.345725 -2.850372 4.543752
15 2 1.00 0 0.000000 -2.707861 1.976434 4.071194
16 2 1.00 0 0.000000 0.794230 1.672161 5.131751
17 2 1.00 0 0.000000 0.251667 5.202465 1.579125
18 2 1.00 0 0.000000 2.074796 -4.663951 1.320307
19 2 1.00 0 0.000000 3.542471 -2.144066 3.551451
20 2 1.00 0 0.000000 5.087753 -1.511020 -1.201338
21 2 1.00 0 0.000000 -1.077021 3.711707 -3.045901
22 2 1.00 0 0.000000 -3.783389 3.148492 -0.629227
23 2 1.00 0 0.000000 1.671766 -0.104421 -4.626344
24 2 1.00 0 0.000000 0.999815 -3.491890 -3.379184
25 2 1.00 0 0.000000 4.450647 2.434018 1.865941
26 2 1.00 0 0.000000 3.654660 3.300997 -1.612081
27 3 0.00 -1 0.328405 -0.634804 1.315020 3.391634
28 3 0.00 -1 0.328107 -0.670512 -1.590826 2.676675
29 3 0.00 -1 0.328405 -2.587889 -2.038591 0.422899
30 3 0.00 -1 0.328107 -1.729909 -0.435889 -1.954405
31 3 0.00 -1 0.328405 -1.693676 2.469262 -1.236661
32 3 0.00 -1 0.328405 2.072091 -2.443067 1.835165
33 3 0.00 -1 0.328405 2.966303 2.064861 0.175553
34 3 0.00 -1 0.328405 1.013370 -1.288814 -2.793067
35 3 0.00 -1 0.328108 2.932965 -0.840567 -0.541247
36 3 0.00 -1 1.326096 -0.210743 2.123398 2.223462
37 3 0.00 -1 1.326096 -0.657351 -0.127988 3.052304
38 3 0.00 -1 1.326093 -1.646634 -1.826737 1.548546
39 3 0.00 -1 1.326095 -2.175416 -1.250260 -0.762988
40 3 0.00 -1 1.326093 -0.747076 2.708081 -0.120938
41 3 0.00 -1 1.326095 -1.722464 1.033139 -1.603613
42 3 0.00 -1 1.326092 0.713852 -2.031645 2.263933
43 3 0.00 -1 1.326092 1.613424 2.503259 0.594420
44 3 0.00 -1 1.326098 -0.351222 -0.870483 -2.392027
45 3 0.00 -1 1.326100 2.512477 -1.657113 0.657756
46 3 0.00 -1 1.326099 2.965428 0.626295 -0.182887
47 3 0.00 -1 1.326101 1.976186 -1.072464 -1.686660
48 3 0.00 -1 1.603792 -2.952851 -0.722000 -3.390526
49 3 0.00 -1 1.558563 -4.265445 -1.534526 0.932369
50 3 0.00 -1 1.558562 -2.625986 -3.810249 -0.010226
51 3 0.00 -1 1.603792 -1.218394 -2.612849 4.191661
52 3 0.00 -1 1.558507 -2.300135 1.839753 3.919625
53 3 0.00 -1 1.558620 0.522041 1.594565 4.774310
54 3 0.00 -1 1.603792 0.246496 4.772002 1.472951
55 3 0.00 -1 1.558582 2.062319 -4.217199 1.410516
56 3 0.00 -1 1.558537 3.245048 -2.186529 3.208486
57 3 0.00 -1 1.603791 4.681408 -1.384588 -1.076860
58 3 0.00 -1 1.558565 -1.184793 3.454906 -2.684898
59 3 0.00 -1 1.558559 -3.365733 3.001032 -0.737405
60 3 0.00 -1 1.558551 1.538708 -0.326106 -4.250794
61 3 0.00 -1 1.558563 0.997214 -3.055912 -3.245768
62 3 0.00 -1 1.558524 4.144833 2.349324 1.538532
63 3 0.00 -1 1.558594 3.503398 3.047996 -1.264247
64 3 0.00 1 0.328107 0.224244 2.919790 1.016104
65 3 0.00 1 0.328405 -0.634804 1.315020 3.391634
66 3 0.00 1 0.328107 -0.670512 -1.590826 2.676675
67 3 0.00 1 0.328405 -2.587889 -2.038591 0.422899
68 3 0.00 1 0.328107 -1.729909 -0.435889 -1.954405
69 3 0.00 1 0.328405 -1.693676 2.469262 -1.236661
70 3 0.00 1 0.328405 2.072091 -2.443067 1.835165
71 3 0.00 1 0.328405 2.966303 2.064861 0.175553
72 3 0.00 1 0.328405 1.013370 -1.288814 -2.793067
73 3 0.00 1 0.328108 2.932965 -0.840567 -0.541247
74 3 0.00 1 1.326096 -0.210743 2.123398 2.223462
75 3 0.00 1 1.326096 -0.657351 -0.127988 3.052304
76 3 0.00 1 1.326093 -1.646634 -1.826737 1.548546
77 3 0.00 1 1.326094 -2.175416 -1.250259 -0.762988
78 3 0.00 1 1.326094 -0.747076 2.708081 -0.120938
79 3 0.00 1 1.326096 -1.722464 1.033139 -1.603613
80 3 0.00 1 1.326092 0.713852 -2.031645 2.263933
81 3 0.00 1 1.326092 1.613424 2.503259 0.594420
82 3 0.00 1 1.326098 -0.351222 -0.870483 -2.392027
83 3 0.00 1 1.326100 2.512477 -1.657113 0.657756
84 3 0.00 1 1.326099 2.965428 0.626295 -0.182887
85 3 0.00 1 1.326101 1.976186 -1.072464 -1.686660
86 3 0.00 1 1.603792 -2.952851 -0.722000 -3.390526
87 3 0.00 1 1.558563 -4.265445 -1.534526 0.932369
88 3 0.00 1 1.558562 -2.625986 -3.810249 -0.010226
89 3 0.00 1 1.603792 -1.218394 -2.612849 4.191661
90 3 0.00 1 1.558507 -2.300135 1.839753 3.919625
91 3 0.00 1 1.558620 0.522041 1.594565 4.774310
92 3 0.00 1 1.603792 0.246496 4.772002 1.472951
93 3 0.00 1 1.558582 2.062319 -4.217199 1.410516
94 3 0.00 1 1.558537 3.245048 -2.186529 3.208486
95 3 0.00 1 1.603791 4.681408 -1.384588 -1.076860
96 3 0.00 1 1.558565 -1.184793 3.454906 -2.684898
97 3 0.00 1 1.558559 -3.365733 3.001032 -0.737405
98 3 0.00 1 1.558551 1.538708 -0.326106 -4.250794
99 3 0.00 1 1.558563 0.997214 -3.055912 -3.245768
100 3 0.00 1 1.558524 4.144833 2.349324 1.538532
101 3 0.00 1 1.558594 3.503398 3.047996 -1.264247
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