Relaxation of monovacancy in diamond silicon

63 atoms
0 10.8619 xlo xhi
0 10.8619 ylo yhi
0 10.8619 zlo zhi

1 atom types

Atoms

1 1 1.35774 1.35774 1.35774
2 1 0 2.71547 2.71547
3 1 1.35774 4.07321 4.07321
4 1 2.71547 0 2.71547
5 1 4.07321 1.35774 4.07321
6 1 2.71547 2.71547 0
7 1 4.07321 4.07321 1.35774
8 1 0 0 5.43095
9 1 1.35774 1.35774 6.78869
10 1 0 2.71547 8.14642
11 1 1.35774 4.07321 9.50416
12 1 2.71547 0 8.14642
13 1 4.07321 1.35774 9.50416
14 1 2.71547 2.71547 5.43095
15 1 4.07321 4.07321 6.78869
16 1 0 5.43095 0
17 1 1.35774 6.78869 1.35774
18 1 0 8.14642 2.71547
19 1 1.35774 9.50416 4.07321
20 1 2.71547 5.43095 2.71547
21 1 4.07321 6.78869 4.07321
22 1 2.71547 8.14642 0
23 1 4.07321 9.50416 1.35774
24 1 0 5.43095 5.43095
25 1 1.35774 6.78869 6.78869
26 1 0 8.14642 8.14642
27 1 1.35774 9.50416 9.50416
28 1 2.71547 5.43095 8.14642
29 1 4.07321 6.78869 9.50416
30 1 2.71547 8.14642 5.43095
31 1 4.07321 9.50416 6.78869
32 1 5.43095 0 0
33 1 6.78869 1.35774 1.35774
34 1 5.43095 2.71547 2.71547
35 1 6.78869 4.07321 4.07321
36 1 8.14642 0 2.71547
37 1 9.50416 1.35774 4.07321
38 1 8.14642 2.71547 0
39 1 9.50416 4.07321 1.35774
40 1 5.43095 0 5.43095
41 1 6.78869 1.35774 6.78869
42 1 5.43095 2.71547 8.14642
43 1 6.78869 4.07321 9.50416
44 1 8.14642 0 8.14642
45 1 9.50416 1.35774 9.50416
46 1 8.14642 2.71547 5.43095
47 1 9.50416 4.07321 6.78869
48 1 5.43095 5.43095 0
49 1 6.78869 6.78869 1.35774
50 1 5.43095 8.14642 2.71547
51 1 6.78869 9.50416 4.07321
52 1 8.14642 5.43095 2.71547
53 1 9.50416 6.78869 4.07321
54 1 8.14642 8.14642 0
55 1 9.50416 9.50416 1.35774
56 1 5.43095 5.43095 5.43095
57 1 6.78869 6.78869 6.78869
58 1 5.43095 8.14642 8.14642
59 1 6.78869 9.50416 9.50416
60 1 8.14642 5.43095 8.14642
61 1 9.50416 6.78869 9.50416
62 1 8.14642 8.14642 5.43095
63 1 9.50416 9.50416 6.78869

Masses

1 28.0855