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lammps/examples/USER/eff/Auger-Adamantane/data.adamantane
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data.adamantane
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Created by AJB
102 atoms
3 atom types
-500.0 500.0 xlo xhi
-500.0 500.0 ylo yhi
-500.0 500.0 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 0.223271 2.836177 0.99547
2 1 6.00 0 0.000000 -0.611326 1.278041 3.303884
3 1 6.00 0 0.000000 -0.645795 -1.544681 2.608294
4 1 6.00 0 0.000000 -2.509122 -1.980433 0.419368
5 1 6.00 0 0.000000 -1.674732 -0.422977 -1.889518
6 1 6.00 0 0.000000 -1.640226 2.39965 -1.193097
7 1 6.00 0 0.000000 2.018681 -2.373515 1.79163
8 1 6.00 0 0.000000 2.887596 2.006776 0.178976
9 1 6.00 0 0.000000 0.98999 -1.251962 -2.705445
10 1 6.00 0 0.000000 2.853997 -0.815965 -0.517029
11 2 1.00 0 0.000000 -3.029741 -0.739677 -3.479893
12 2 1.00 0 0.000000 -4.456466 -1.425024 1.003463
13 2 1.00 0 0.000000 -2.581253 -4.027951 -0.074795
14 2 1.00 0 0.000000 -1.252983 -2.67657 4.28622
15 2 1.00 0 0.000000 -2.524731 1.891635 3.93955
16 2 1.00 0 0.000000 0.703394 1.61118 4.917143
17 2 1.00 0 0.000000 0.247516 4.887701 1.501501
18 2 1.00 0 0.000000 2.027034 -4.428006 1.321731
19 2 1.00 0 0.000000 3.379737 -2.105382 3.378244
20 2 1.00 0 0.000000 4.790758 -1.418428 -1.109855
21 2 1.00 0 0.000000 -1.077541 3.552194 -2.865467
22 2 1.00 0 0.000000 -3.572149 3.033181 -0.63782
23 2 1.00 0 0.000000 1.599389 -0.164293 -4.40463
24 2 1.00 0 0.000000 0.980069 -3.286423 -3.255167
25 2 1.00 0 0.000000 4.264224 2.353276 1.736734
26 2 1.00 0 0.000000 3.530575 3.152347 -1.469016
27 3 0.00 1 0.332948 0.223271 2.836177 0.99547
28 3 0.00 -1 0.332948 0.223271 2.836177 0.99547
29 3 0.00 1 0.332948 -0.611326 1.278041 3.303884
30 3 0.00 -1 0.332948 -0.611326 1.278041 3.303884
31 3 0.00 1 0.332948 -0.645795 -1.544681 2.608294
32 3 0.00 -1 0.332948 -0.645795 -1.544681 2.608294
33 3 0.00 1 0.332948 -2.509122 -1.980433 0.419368
34 3 0.00 -1 0.332948 -2.509122 -1.980433 0.419368
35 3 0.00 1 0.332948 -1.674732 -0.422977 -1.889518
36 3 0.00 -1 0.332948 -1.674732 -0.422977 -1.889518
37 3 0.00 1 0.332948 -1.640226 2.39965 -1.193097
38 3 0.00 -1 0.332948 -1.640226 2.39965 -1.193097
39 3 0.00 1 0.332948 2.018681 -2.373515 1.79163
40 3 0.00 -1 0.332948 2.018681 -2.373515 1.79163
41 3 0.00 1 0.332948 2.887596 2.006776 0.178976
42 3 0.00 -1 0.332948 2.887596 2.006776 0.178976
43 3 0.00 1 0.332948 0.98999 -1.251962 -2.705445
44 3 0.00 -1 0.332948 0.98999 -1.251962 -2.705445
45 3 0.00 1 0.332948 2.853997 -0.815965 -0.517029
46 3 0.00 -1 0.332948 2.853997 -0.815965 -0.517029
47 3 0.00 1 1.258000 -0.194028 2.057109 2.149677
48 3 0.00 -1 1.258000 -0.194028 2.057109 2.149677
49 3 0.00 1 1.258000 -0.628561 -0.13332 2.956089
50 3 0.00 -1 1.258000 -0.628561 -0.13332 2.956089
51 3 0.00 1 1.258000 -1.577458 -1.762557 1.513831
52 3 0.00 -1 1.258000 -1.577458 -1.762557 1.513831
53 3 0.00 1 1.258000 -2.091927 -1.201705 -0.735075
54 3 0.00 -1 1.258000 -2.091927 -1.201705 -0.735075
55 3 0.00 1 1.258000 -0.708477 2.617913 -0.098814
56 3 0.00 -1 1.258000 -0.708477 2.617913 -0.098814
57 3 0.00 1 1.258000 -1.657479 0.988336 -1.541308
58 3 0.00 -1 1.258000 -1.657479 0.988336 -1.541308
59 3 0.00 1 1.258000 0.686443 -1.959098 2.199962
60 3 0.00 -1 1.258000 0.686443 -1.959098 2.199962
61 3 0.00 1 1.258000 1.555434 2.421476 0.587223
62 3 0.00 -1 1.258000 1.555434 2.421476 0.587223
63 3 0.00 1 1.258000 -0.342371 -0.83747 -2.297482
64 3 0.00 -1 1.258000 -0.342371 -0.83747 -2.297482
65 3 0.00 1 1.258000 2.436339 -1.59474 0.637301
66 3 0.00 -1 1.258000 2.436339 -1.59474 0.637301
67 3 0.00 1 1.258000 2.870796 0.595405 -0.169027
68 3 0.00 -1 1.258000 2.870796 0.595405 -0.169027
69 3 0.00 1 1.258000 1.921993 -1.033964 -1.611237
70 3 0.00 -1 1.258000 1.921993 -1.033964 -1.611237
71 3 0.00 1 1.543000 -2.632724 -0.646884 -3.013913
72 3 0.00 -1 1.543000 -2.632724 -0.646884 -3.013913
73 3 0.00 1 1.543000 -3.885894 -1.587759 0.832324
74 3 0.00 -1 1.543000 -3.885894 -1.587759 0.832324
75 3 0.00 1 1.543000 -2.560118 -3.428028 0.069995
76 3 0.00 -1 1.543000 -2.560118 -3.428028 0.069995
77 3 0.00 1 1.543000 -1.075077 -2.344927 3.794588
78 3 0.00 -1 1.543000 -1.075077 -2.344927 3.794588
79 3 0.00 1 1.543000 -1.964103 1.711852 3.7533
80 3 0.00 -1 1.543000 -1.964103 1.711852 3.7533
81 3 0.00 1 1.543000 0.318181 1.513571 4.444458
82 3 0.00 -1 1.543000 0.318181 1.513571 4.444458
83 3 0.00 1 1.543000 0.240412 4.286604 1.353234
84 3 0.00 -1 1.543000 0.240412 4.286604 1.353234
85 3 0.00 1 1.543000 2.024586 -3.82604 1.459412
86 3 0.00 -1 1.543000 2.024586 -3.82604 1.459412
87 3 0.00 1 1.543000 2.980948 -2.183945 2.913367
88 3 0.00 -1 1.543000 2.980948 -2.183945 2.913367
89 3 0.00 1 1.543000 4.223287 -1.241907 -0.936157
90 3 0.00 -1 1.543000 4.223287 -1.241907 -0.936157
91 3 0.00 1 1.543000 -1.242407 3.214498 -2.375463
92 3 0.00 -1 1.543000 -1.242407 3.214498 -2.375463
93 3 0.00 1 1.543000 -3.006096 2.847556 -0.800517
94 3 0.00 -1 1.543000 -3.006096 2.847556 -0.800517
95 3 0.00 1 1.543000 1.420835 -0.48298 -3.906769
96 3 0.00 -1 1.543000 1.420835 -0.48298 -3.906769
97 3 0.00 1 1.543000 0.982976 -2.690326 -3.094098
98 3 0.00 -1 1.543000 0.982976 -2.690326 -3.094098
99 3 0.00 1 1.543000 3.860872 2.251751 1.280311
100 3 0.00 -1 1.543000 3.860872 2.251751 1.280311
101 3 0.00 1 1.543000 3.342182 2.816694 -0.986155
102 3 0.00 -1 1.543000 3.342182 2.816694 -0.986155
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