Relaxation of monovacancy in diamond silicon

63 atoms
0 10.864 xlo xhi
0 10.864 ylo yhi
0 10.864 zlo zhi

1 atom types

Atoms

1 1 1.358 1.358 1.358
2 1 0 2.716 2.716
3 1 1.358 4.074 4.074
4 1 2.716 0 2.716
5 1 4.074 1.358 4.074
6 1 2.716 2.716 0
7 1 4.074 4.074 1.358
8 1 0 0 5.43201
9 1 1.358 1.358 6.79001
10 1 0 2.716 8.14801
11 1 1.358 4.074 9.50601
12 1 2.716 0 8.14801
13 1 4.074 1.358 9.50601
14 1 2.716 2.716 5.43201
15 1 4.074 4.074 6.79001
16 1 0 5.43201 0
17 1 1.358 6.79001 1.358
18 1 0 8.14801 2.716
19 1 1.358 9.50601 4.074
20 1 2.716 5.43201 2.716
21 1 4.074 6.79001 4.074
22 1 2.716 8.14801 0
23 1 4.074 9.50601 1.358
24 1 0 5.43201 5.43201
25 1 1.358 6.79001 6.79001
26 1 0 8.14801 8.14801
27 1 1.358 9.50601 9.50601
28 1 2.716 5.43201 8.14801
29 1 4.074 6.79001 9.50601
30 1 2.716 8.14801 5.43201
31 1 4.074 9.50601 6.79001
32 1 5.43201 0 0
33 1 6.79001 1.358 1.358
34 1 5.43201 2.716 2.716
35 1 6.79001 4.074 4.074
36 1 8.14801 0 2.716
37 1 9.50601 1.358 4.074
38 1 8.14801 2.716 0
39 1 9.50601 4.074 1.358
40 1 5.43201 0 5.43201
41 1 6.79001 1.358 6.79001
42 1 5.43201 2.716 8.14801
43 1 6.79001 4.074 9.50601
44 1 8.14801 0 8.14801
45 1 9.50601 1.358 9.50601
46 1 8.14801 2.716 5.43201
47 1 9.50601 4.074 6.79001
48 1 5.43201 5.43201 0
49 1 6.79001 6.79001 1.358
50 1 5.43201 8.14801 2.716
51 1 6.79001 9.50601 4.074
52 1 8.14801 5.43201 2.716
53 1 9.50601 6.79001 4.074
54 1 8.14801 8.14801 0
55 1 9.50601 9.50601 1.358
56 1 5.43201 5.43201 5.43201
57 1 6.79001 6.79001 6.79001
58 1 5.43201 8.14801 8.14801
59 1 6.79001 9.50601 9.50601
60 1 8.14801 5.43201 8.14801
61 1 9.50601 6.79001 9.50601
62 1 8.14801 8.14801 5.43201
63 1 9.50601 9.50601 6.79001

Masses

1 28.0855