adf:frictionsystem
System
Atoms
C 1.32194823 1.26633023 1.67762819
C 1.32194823 1.26633023 9.42762819
C 1.32194823 3.79899068 1.67762819
C 1.32194823 3.79899068 9.42762819
C 3.9658447 1.26633023 1.67762819
C 3.9658447 1.26633023 9.42762819
C 3.9658447 3.79899068 1.67762819
C 3.9658447 3.79899068 9.42762819
C 0.0 1.26633023 0.78253111
C 0.0 1.26633023 8.532531110000001
C 0.0 3.79899068 0.78253111
C 0.0 3.79899068 8.532531110000001
C 2.64389647 1.26633023 0.78253111
C 2.64389647 1.26633023 8.532531110000001
C 2.64389647 3.79899068 0.78253111
C 2.64389647 3.79899068 8.532531110000001
C 0.0 0.0 3.48183649
C 0.0 0.0 11.23183649
C 0.0 2.53266045 3.48183649
C 0.0 2.53266045 11.23183649
C 2.64389647 0.0 3.48183649
C 2.64389647 0.0 11.23183649
C 2.64389647 2.53266045 3.48183649
C 2.64389647 2.53266045 11.23183649
C 1.32194823 0.0 6.07181582
C 1.32194823 0.0 13.82181582
C 1.32194823 2.53266045 6.07181582
C 1.32194823 2.53266045 13.82181582
C 3.9658447 0.0 6.07181582
C 3.9658447 0.0 13.82181582
C 3.9658447 2.53266045 6.07181582
C 3.9658447 2.53266045 13.82181582
C 1.32194823 1.26633023 5.28928471
C 1.32194823 1.26633023 13.03928471
C 1.32194823 3.79899068 5.28928471
C 1.32194823 3.79899068 13.03928471
C 3.9658447 1.26633023 5.28928471
C 3.9658447 1.26633023 13.03928471
C 3.9658447 3.79899068 5.28928471
C 3.9658447 3.79899068 13.03928471
C 0.0 1.26633023 4.39418763
C 0.0 1.26633023 12.14418763
C 0.0 3.79899068 4.39418763
C 0.0 3.79899068 12.14418763
C 2.64389647 1.26633023 4.39418763
C 2.64389647 1.26633023 12.14418763
C 2.64389647 3.79899068 4.39418763
C 2.64389647 3.79899068 12.14418763
C 0.0 0.0 0.0
C 0.0 0.0 7.75
C 0.0 2.53266045 0.0
C 0.0 2.53266045 7.75
C 2.64389647 0.0 0.0
C 2.64389647 0.0 7.75
C 2.64389647 2.53266045 0.0
C 2.64389647 2.53266045 7.75
C 1.32194823 0.0 2.58997933
C 1.32194823 0.0 10.33997933
C 1.32194823 2.53266045 2.58997933
C 1.32194823 2.53266045 10.33997933
C 3.9658447 0.0 2.58997933
C 3.9658447 0.0 10.33997933
C 3.9658447 2.53266045 2.58997933
C 3.9658447 2.53266045 10.33997933
End
Lattice
5.28779292 0.0 0.0
0.0 5.06532092 0.0
End
BondOrders
1 9 1.0
1 13 1.0
2 10 1.0
2 14 1.0
3 11 1.0
3 15 1.0
4 12 1.0
4 16 1.0
5 9 1.0 1 0
5 13 1.0
6 10 1.0 1 0
6 14 1.0
7 11 1.0 1 0
7 15 1.0
8 12 1.0 1 0
8 16 1.0
33 25 1.0
33 27 1.0
33 41 1.0
33 45 1.0
34 26 1.0
34 28 1.0
34 42 1.0
34 46 1.0
35 25 1.0 0 1
35 27 1.0
35 43 1.0
35 47 1.0
36 26 1.0 0 1
36 28 1.0
36 44 1.0
36 48 1.0
37 29 1.0
37 31 1.0
37 41 1.0 1 0
37 45 1.0
38 30 1.0
38 32 1.0
38 42 1.0 1 0
38 46 1.0
39 29 1.0 0 1
39 31 1.0
39 43 1.0 1 0
39 47 1.0
40 30 1.0 0 1
40 32 1.0
40 44 1.0 1 0
40 48 1.0
41 17 1.0
41 19 1.0
42 18 1.0
42 20 1.0
43 17 1.0 0 1
43 19 1.0
44 18 1.0 0 1
44 20 1.0
45 21 1.0
45 23 1.0
46 22 1.0
46 24 1.0
47 21 1.0 0 1
47 23 1.0
48 22 1.0 0 1
48 24 1.0
49 9 1.0
49 11 1.0 0 -1
50 10 1.0
50 12 1.0 0 -1
51 9 1.0
51 11 1.0
52 10 1.0
52 12 1.0
53 13 1.0
53 15 1.0 0 -1
54 14 1.0
54 16 1.0 0 -1
55 13 1.0
55 15 1.0
56 14 1.0
56 16 1.0
57 1 1.0
57 3 1.0 0 -1
57 17 1.0
57 21 1.0
58 2 1.0
58 4 1.0 0 -1
58 18 1.0
58 22 1.0
59 1 1.0
59 3 1.0
59 19 1.0
59 23 1.0
60 2 1.0
60 4 1.0
60 20 1.0
60 24 1.0
61 5 1.0
61 7 1.0 0 -1
61 17 1.0 1 0
61 21 1.0
62 6 1.0
62 8 1.0 0 -1
62 18 1.0 1 0
62 22 1.0
63 5 1.0
63 7 1.0
63 19 1.0 1 0
63 23 1.0
64 6 1.0
64 8 1.0
64 20 1.0 1 0
64 24 1.0
End
End
adf/frictionsystem.txt · 最后更改: 2023/04/23 00:52 由 liu.jun