# This is the geometry.
80 atoms
2 atom types

-8.46 9.81 xlo xhi
-9.33 9.33 ylo yhi
-8.46 22.28 zlo zhi

Masses

1 1.000
2 12.000

Atoms

1 1 0.00000 1.92813 0.00000 14.77837
2 1 0.00000 -0.16224 2.88429 10.24101
3 1 0.00000 0.88320 1.44179 12.51025
4 1 0.00000 -1.60438 0.00000 12.73887
5 1 0.00000 -2.64931 1.44179 10.47075
6 1 0.00000 0.88320 -1.44179 12.51024
7 1 0.00000 2.32535 1.44250 10.01238
8 1 0.00000 -0.55859 1.44179 15.00750
9 1 0.00000 -2.64896 4.32608 10.47013
10 1 0.00000 3.36993 0.00000 12.28112
11 1 0.00000 -0.16259 0.00000 10.24162
12 1 0.00000 -1.60438 2.88358 12.73887
13 1 0.00000 2.32535 -1.44250 10.01238
14 1 0.00000 -0.16224 -2.88429 10.24101
15 1 0.00000 4.81242 0.00000 9.78264
16 1 0.00000 -2.64931 -1.44179 10.47074
17 1 0.00000 -1.60438 -2.88358 12.73887
18 1 0.00000 -0.55859 -1.44179 15.00750
19 1 0.00000 -2.64896 -4.32608 10.47013
20 1 0.00000 0.48634 0.00000 17.27563
21 2 0.00000 -1.41544 3.01503 -1.16795
22 2 0.00000 2.58369 2.29208 -0.72115
23 2 0.00000 0.72115 -2.58370 2.29209
24 2 0.00000 3.01502 -1.16794 1.41543
25 2 0.00000 -3.01502 -1.16795 1.41543
26 2 0.00000 -0.72113 -2.58370 2.29209
27 2 0.00000 -2.58370 2.29208 -0.72115
28 2 0.00000 -3.46140 -0.00001 0.69433
29 2 0.00000 1.41542 3.01502 -1.16795
30 2 0.00000 3.46140 0.00001 0.69432
31 2 0.00000 -1.41543 -3.01502 -1.16795
32 2 0.00000 -2.29209 -0.72116 -2.58369
33 2 0.00000 -0.00000 0.69432 -3.46140
34 2 0.00000 2.29209 -0.72115 -2.58371
35 2 0.00000 1.41544 -3.01502 -1.16795
36 2 0.00000 -2.29209 0.72114 -2.58369
37 2 0.00000 1.16794 1.41543 -3.01503
38 2 0.00000 3.01502 -1.16795 -1.41544
39 2 0.00000 0.69433 -3.46140 0.00001
40 2 0.00000 -2.58370 -2.29209 -0.72115
41 2 0.00000 0.72114 2.58370 2.29208
42 2 0.00000 1.16795 1.41544 3.01502
43 2 0.00000 -0.00000 0.69433 3.46140
44 2 0.00000 -1.16795 1.41543 3.01503
45 2 0.00000 -0.72115 2.58369 2.29208
46 2 0.00000 -0.69433 3.46140 -0.00001
47 2 0.00000 2.58370 2.29209 0.72114
48 2 0.00000 2.29209 -0.72114 2.58369
49 2 0.00000 -1.16794 -1.41543 3.01503
50 2 0.00000 -3.01502 1.16795 1.41544
51 2 0.00000 1.16796 -1.41543 3.01502
52 2 0.00000 -2.29208 -0.72114 2.58370
53 2 0.00000 -2.58370 2.29208 0.72115
54 2 0.00000 0.69432 3.46140 -0.00001
55 2 0.00000 3.01503 1.16796 1.41543
56 2 0.00000 -0.69432 -3.46140 0.00001
57 2 0.00000 -3.01503 -1.16796 -1.41543
58 2 0.00000 -1.16796 1.41543 -3.01502
59 2 0.00000 2.29208 0.72114 -2.58370
60 2 0.00000 2.58370 -2.29208 -0.72115
61 2 0.00000 1.16795 -1.41543 -3.01503
62 2 0.00000 0.72115 -2.58369 -2.29208
63 2 0.00000 -0.72114 -2.58370 -2.29208
64 2 0.00000 -1.16795 -1.41544 -3.01502
65 2 0.00000 0.00000 -0.69433 -3.46140
66 2 0.00000 0.72113 2.58370 -2.29209
67 2 0.00000 3.46140 0.00001 -0.69433
68 2 0.00000 1.41544 -3.01503 1.16795
69 2 0.00000 -2.58369 -2.29208 0.72115
70 2 0.00000 -3.01503 1.16794 -1.41543
71 2 0.00000 -2.29209 0.72115 2.58371
72 2 0.00000 -1.41544 3.01502 1.16795
73 2 0.00000 1.41543 3.01502 1.16795
74 2 0.00000 2.29209 0.72116 2.58369
75 2 0.00000 0.00000 -0.69432 3.46140
76 2 0.00000 -1.41542 -3.01502 1.16795
77 2 0.00000 -3.46140 -0.00001 -0.69432
78 2 0.00000 -0.72115 2.58370 -2.29209
79 2 0.00000 3.01502 1.16795 -1.41543
80 2 0.00000 2.58370 -2.29208 0.72115