Relaxation of monovacancy in diamond silicon

63 atoms
0 10.861 xlo xhi
0 10.861 ylo yhi
0 10.861 zlo zhi

1 atom types

Atoms

1 1 1.35762 1.35762 1.35762
2 1 0 2.71525 2.71525
3 1 1.35762 4.07287 4.07287
4 1 2.71525 0 2.71525
5 1 4.07287 1.35762 4.07287
6 1 2.71525 2.71525 0
7 1 4.07287 4.07287 1.35762
8 1 0 0 5.4305
9 1 1.35762 1.35762 6.78812
10 1 0 2.71525 8.14575
11 1 1.35762 4.07287 9.50337
12 1 2.71525 0 8.14575
13 1 4.07287 1.35762 9.50337
14 1 2.71525 2.71525 5.4305
15 1 4.07287 4.07287 6.78812
16 1 0 5.4305 0
17 1 1.35762 6.78812 1.35762
18 1 0 8.14575 2.71525
19 1 1.35762 9.50337 4.07287
20 1 2.71525 5.4305 2.71525
21 1 4.07287 6.78812 4.07287
22 1 2.71525 8.14575 0
23 1 4.07287 9.50337 1.35762
24 1 0 5.4305 5.4305
25 1 1.35762 6.78812 6.78812
26 1 0 8.14575 8.14575
27 1 1.35762 9.50337 9.50337
28 1 2.71525 5.4305 8.14575
29 1 4.07287 6.78812 9.50337
30 1 2.71525 8.14575 5.4305
31 1 4.07287 9.50337 6.78812
32 1 5.4305 0 0
33 1 6.78812 1.35762 1.35762
34 1 5.4305 2.71525 2.71525
35 1 6.78812 4.07287 4.07287
36 1 8.14575 0 2.71525
37 1 9.50337 1.35762 4.07287
38 1 8.14575 2.71525 0
39 1 9.50337 4.07287 1.35762
40 1 5.4305 0 5.4305
41 1 6.78812 1.35762 6.78812
42 1 5.4305 2.71525 8.14575
43 1 6.78812 4.07287 9.50337
44 1 8.14575 0 8.14575
45 1 9.50337 1.35762 9.50337
46 1 8.14575 2.71525 5.4305
47 1 9.50337 4.07287 6.78812
48 1 5.4305 5.4305 0
49 1 6.78812 6.78812 1.35762
50 1 5.4305 8.14575 2.71525
51 1 6.78812 9.50337 4.07287
52 1 8.14575 5.4305 2.71525
53 1 9.50337 6.78812 4.07287
54 1 8.14575 8.14575 0
55 1 9.50337 9.50337 1.35762
56 1 5.4305 5.4305 5.4305
57 1 6.78812 6.78812 6.78812
58 1 5.4305 8.14575 8.14575
59 1 6.78812 9.50337 9.50337
60 1 8.14575 5.4305 8.14575
61 1 9.50337 6.78812 9.50337
62 1 8.14575 8.14575 5.4305
63 1 9.50337 9.50337 6.78812

Masses

1 28.0855