Relaxation of monovacancy in diamond silicon

63 atoms
0 9.87345 xlo xhi
0 9.87345 ylo yhi
0 9.87345 zlo zhi

1 atom types

Atoms

1 1 1.23418 1.23418 1.23418
2 1 0 2.46836 2.46836
3 1 1.23418 3.70255 3.70255
4 1 2.46836 0 2.46836
5 1 3.70255 1.23418 3.70255
6 1 2.46836 2.46836 0
7 1 3.70255 3.70255 1.23418
8 1 0 0 4.93673
9 1 1.23418 1.23418 6.17091
10 1 0 2.46836 7.40509
11 1 1.23418 3.70255 8.63927
12 1 2.46836 0 7.40509
13 1 3.70255 1.23418 8.63927
14 1 2.46836 2.46836 4.93673
15 1 3.70255 3.70255 6.17091
16 1 0 4.93673 0
17 1 1.23418 6.17091 1.23418
18 1 0 7.40509 2.46836
19 1 1.23418 8.63927 3.70255
20 1 2.46836 4.93673 2.46836
21 1 3.70255 6.17091 3.70255
22 1 2.46836 7.40509 0
23 1 3.70255 8.63927 1.23418
24 1 0 4.93673 4.93673
25 1 1.23418 6.17091 6.17091
26 1 0 7.40509 7.40509
27 1 1.23418 8.63927 8.63927
28 1 2.46836 4.93673 7.40509
29 1 3.70255 6.17091 8.63927
30 1 2.46836 7.40509 4.93673
31 1 3.70255 8.63927 6.17091
32 1 4.93673 0 0
33 1 6.17091 1.23418 1.23418
34 1 4.93673 2.46836 2.46836
35 1 6.17091 3.70255 3.70255
36 1 7.40509 0 2.46836
37 1 8.63927 1.23418 3.70255
38 1 7.40509 2.46836 0
39 1 8.63927 3.70255 1.23418
40 1 4.93673 0 4.93673
41 1 6.17091 1.23418 6.17091
42 1 4.93673 2.46836 7.40509
43 1 6.17091 3.70255 8.63927
44 1 7.40509 0 7.40509
45 1 8.63927 1.23418 8.63927
46 1 7.40509 2.46836 4.93673
47 1 8.63927 3.70255 6.17091
48 1 4.93673 4.93673 0
49 1 6.17091 6.17091 1.23418
50 1 4.93673 7.40509 2.46836
51 1 6.17091 8.63927 3.70255
52 1 7.40509 4.93673 2.46836
53 1 8.63927 6.17091 3.70255
54 1 7.40509 7.40509 0
55 1 8.63927 8.63927 1.23418
56 1 4.93673 4.93673 4.93673
57 1 6.17091 6.17091 6.17091
58 1 4.93673 7.40509 7.40509
59 1 6.17091 8.63927 8.63927
60 1 7.40509 4.93673 7.40509
61 1 8.63927 6.17091 8.63927
62 1 7.40509 7.40509 4.93673
63 1 8.63927 8.63927 6.17091

Masses

1 28.0855