Homec4science
Diffusion lammps (efficient_neuronet) Browse

lammps/examples/USER/eff/Auger-Adamantane/data.adamantane
ae926d0adea3efficient_neuronet

Last Change
Raw File

data.adamantane
View Options

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 0.223271 2.836177 0.99547 6.00 0 0.00
2 1 -0.611326 1.278041 3.303884 6.00 0 0.00
3 1 -0.645795 -1.544681 2.608294 6.00 0 0.00
4 1 -2.509122 -1.980433 0.419368 6.00 0 0.00
5 1 -1.674732 -0.422977 -1.889518 6.00 0 0.00
6 1 -1.640226 2.39965 -1.193097 6.00 0 0.00
7 1 2.018681 -2.373515 1.79163 6.00 0 0.00
8 1 2.887596 2.006776 0.178976 6.00 0 0.00
9 1 0.98999 -1.251962 -2.705445 6.00 0 0.00
10 1 2.853997 -0.815965 -0.517029 6.00 0 0.00
11 2 -3.029741 -0.739677 -3.479893 1.00 0 0.00
12 2 -4.456466 -1.425024 1.003463 1.00 0 0.00
13 2 -2.581253 -4.027951 -0.074795 1.00 0 0.00
14 2 -1.252983 -2.67657 4.28622 1.00 0 0.00
15 2 -2.524731 1.891635 3.93955 1.00 0 0.00
16 2 0.703394 1.61118 4.917143 1.00 0 0.00
17 2 0.247516 4.887701 1.501501 1.00 0 0.00
18 2 2.027034 -4.428006 1.321731 1.00 0 0.00
19 2 3.379737 -2.105382 3.378244 1.00 0 0.00
20 2 4.790758 -1.418428 -1.109855 1.00 0 0.00
21 2 -1.077541 3.552194 -2.865467 1.00 0 0.00
22 2 -3.572149 3.033181 -0.63782 1.00 0 0.00
23 2 1.599389 -0.164293 -4.40463 1.00 0 0.00
24 2 0.980069 -3.286423 -3.255167 1.00 0 0.00
25 2 4.264224 2.353276 1.736734 1.00 0 0.00
26 2 3.530575 3.152347 -1.469016 1.00 0 0.00
27 3 0.223271 2.836177 0.99547 0.00 1 0.332948
28 3 0.223271 2.836177 0.99547 0.00 -1 0.332948
29 3 -0.611326 1.278041 3.303884 0.00 1 0.332948
30 3 -0.611326 1.278041 3.303884 0.00 -1 0.332948
31 3 -0.645795 -1.544681 2.608294 0.00 1 0.332948
32 3 -0.645795 -1.544681 2.608294 0.00 -1 0.332948
33 3 -2.509122 -1.980433 0.419368 0.00 1 0.332948
34 3 -2.509122 -1.980433 0.419368 0.00 -1 0.332948
35 3 -1.674732 -0.422977 -1.889518 0.00 1 0.332948
36 3 -1.674732 -0.422977 -1.889518 0.00 -1 0.332948
37 3 -1.640226 2.39965 -1.193097 0.00 1 0.332948
38 3 -1.640226 2.39965 -1.193097 0.00 -1 0.332948
39 3 2.018681 -2.373515 1.79163 0.00 1 0.332948
40 3 2.018681 -2.373515 1.79163 0.00 -1 0.332948
41 3 2.887596 2.006776 0.178976 0.00 1 0.332948
42 3 2.887596 2.006776 0.178976 0.00 -1 0.332948
43 3 0.98999 -1.251962 -2.705445 0.00 1 0.332948
44 3 0.98999 -1.251962 -2.705445 0.00 -1 0.332948
45 3 2.853997 -0.815965 -0.517029 0.00 1 0.332948
46 3 2.853997 -0.815965 -0.517029 0.00 -1 0.332948
47 3 -0.194028 2.057109 2.149677 0.00 1 1.258
48 3 -0.194028 2.057109 2.149677 0.00 -1 1.258
49 3 -0.628561 -0.13332 2.956089 0.00 1 1.258
50 3 -0.628561 -0.13332 2.956089 0.00 -1 1.258
51 3 -1.577458 -1.762557 1.513831 0.00 1 1.258
52 3 -1.577458 -1.762557 1.513831 0.00 -1 1.258
53 3 -2.091927 -1.201705 -0.735075 0.00 1 1.258
54 3 -2.091927 -1.201705 -0.735075 0.00 -1 1.258
55 3 -0.708477 2.617913 -0.098814 0.00 1 1.258
56 3 -0.708477 2.617913 -0.098814 0.00 -1 1.258
57 3 -1.657479 0.988336 -1.541308 0.00 1 1.258
58 3 -1.657479 0.988336 -1.541308 0.00 -1 1.258
59 3 0.686443 -1.959098 2.199962 0.00 1 1.258
60 3 0.686443 -1.959098 2.199962 0.00 -1 1.258
61 3 1.555434 2.421476 0.587223 0.00 1 1.258
62 3 1.555434 2.421476 0.587223 0.00 -1 1.258
63 3 -0.342371 -0.83747 -2.297482 0.00 1 1.258
64 3 -0.342371 -0.83747 -2.297482 0.00 -1 1.258
65 3 2.436339 -1.59474 0.637301 0.00 1 1.258
66 3 2.436339 -1.59474 0.637301 0.00 -1 1.258
67 3 2.870796 0.595405 -0.169027 0.00 1 1.258
68 3 2.870796 0.595405 -0.169027 0.00 -1 1.258
69 3 1.921993 -1.033964 -1.611237 0.00 1 1.258
70 3 1.921993 -1.033964 -1.611237 0.00 -1 1.258
71 3 -2.632724 -0.646884 -3.013913 0.00 1 1.543
72 3 -2.632724 -0.646884 -3.013913 0.00 -1 1.543
73 3 -3.885894 -1.587759 0.832324 0.00 1 1.543
74 3 -3.885894 -1.587759 0.832324 0.00 -1 1.543
75 3 -2.560118 -3.428028 0.069995 0.00 1 1.543
76 3 -2.560118 -3.428028 0.069995 0.00 -1 1.543
77 3 -1.075077 -2.344927 3.794588 0.00 1 1.543
78 3 -1.075077 -2.344927 3.794588 0.00 -1 1.543
79 3 -1.964103 1.711852 3.7533 0.00 1 1.543
80 3 -1.964103 1.711852 3.7533 0.00 -1 1.543
81 3 0.318181 1.513571 4.444458 0.00 1 1.543
82 3 0.318181 1.513571 4.444458 0.00 -1 1.543
83 3 0.240412 4.286604 1.353234 0.00 1 1.543
84 3 0.240412 4.286604 1.353234 0.00 -1 1.543
85 3 2.024586 -3.82604 1.459412 0.00 1 1.543
86 3 2.024586 -3.82604 1.459412 0.00 -1 1.543
87 3 2.980948 -2.183945 2.913367 0.00 1 1.543
88 3 2.980948 -2.183945 2.913367 0.00 -1 1.543
89 3 4.223287 -1.241907 -0.936157 0.00 1 1.543
90 3 4.223287 -1.241907 -0.936157 0.00 -1 1.543
91 3 -1.242407 3.214498 -2.375463 0.00 1 1.543
92 3 -1.242407 3.214498 -2.375463 0.00 -1 1.543
93 3 -3.006096 2.847556 -0.800517 0.00 1 1.543
94 3 -3.006096 2.847556 -0.800517 0.00 -1 1.543
95 3 1.420835 -0.48298 -3.906769 0.00 1 1.543
96 3 1.420835 -0.48298 -3.906769 0.00 -1 1.543
97 3 0.982976 -2.690326 -3.094098 0.00 1 1.543
98 3 0.982976 -2.690326 -3.094098 0.00 -1 1.543
99 3 3.860872 2.251751 1.280311 0.00 1 1.543
100 3 3.860872 2.251751 1.280311 0.00 -1 1.543
101 3 3.342182 2.816694 -0.986155 0.00 1 1.543
102 3 3.342182 2.816694 -0.986155 0.00 -1 1.543
c4science · Help