1
#---------------------------------------
2
#Input Generated for Space Group Testing
3
#---------------------------------------
4
SystemLabel 06-cubic-cP.27-spg221.inp
6
%block ChemicalSpeciesLabel
8
%endblock ChemicalSpeciesLabel
9
LatticeConstant 1.0 Ang
14
%endblock LatticeVectors
15
AtomicCoordinatesFormat Fractional
16
%block AtomicCoordinatesAndAtomicSpecies
17
1.7000000000E-01 1.5000000000E-01 1.1000000000E-01 1 1 H
18
1.1000000000E-01 1.7000000000E-01 1.5000000000E-01 1 2 H
19
8.3000000000E-01 8.5000000000E-01 1.1000000000E-01 1 3 H
20
8.3000000000E-01 1.5000000000E-01 8.9000000000E-01 1 4 H
21
1.5000000000E-01 1.7000000000E-01 8.9000000000E-01 1 5 H
22
1.5000000000E-01 1.1000000000E-01 1.7000000000E-01 1 6 H
23
1.1000000000E-01 8.3000000000E-01 8.5000000000E-01 1 7 H
24
8.9000000000E-01 8.3000000000E-01 1.5000000000E-01 1 8 H
25
8.9000000000E-01 1.5000000000E-01 1.7000000000E-01 1 9 H
26
1.7000000000E-01 8.5000000000E-01 8.9000000000E-01 1 10 H
27
8.5000000000E-01 8.3000000000E-01 8.9000000000E-01 1 11 H
28
8.9000000000E-01 1.7000000000E-01 8.5000000000E-01 1 12 H
29
8.5000000000E-01 1.7000000000E-01 1.1000000000E-01 1 13 H
30
1.7000000000E-01 1.1000000000E-01 8.5000000000E-01 1 14 H
31
1.5000000000E-01 8.3000000000E-01 1.1000000000E-01 1 15 H
32
8.5000000000E-01 1.1000000000E-01 8.3000000000E-01 1 16 H
33
1.5000000000E-01 8.9000000000E-01 8.3000000000E-01 1 17 H
34
1.7000000000E-01 8.9000000000E-01 1.5000000000E-01 1 18 H
35
8.9000000000E-01 8.5000000000E-01 8.3000000000E-01 1 19 H
36
8.5000000000E-01 8.9000000000E-01 1.7000000000E-01 1 20 H
37
1.1000000000E-01 8.5000000000E-01 1.7000000000E-01 1 21 H
38
1.1000000000E-01 1.5000000000E-01 8.3000000000E-01 1 22 H
39
8.3000000000E-01 8.9000000000E-01 8.5000000000E-01 1 23 H
40
8.3000000000E-01 1.1000000000E-01 1.5000000000E-01 1 24 H
41
8.3000000000E-01 8.5000000000E-01 8.9000000000E-01 1 25 H
42
8.9000000000E-01 8.3000000000E-01 8.5000000000E-01 1 26 H
43
1.7000000000E-01 1.5000000000E-01 8.9000000000E-01 1 27 H
44
1.7000000000E-01 8.5000000000E-01 1.1000000000E-01 1 28 H
45
8.5000000000E-01 8.3000000000E-01 1.1000000000E-01 1 29 H
46
8.5000000000E-01 8.9000000000E-01 8.3000000000E-01 1 30 H
47
8.9000000000E-01 1.7000000000E-01 1.5000000000E-01 1 31 H
48
1.1000000000E-01 1.7000000000E-01 8.5000000000E-01 1 32 H
49
1.1000000000E-01 8.5000000000E-01 8.3000000000E-01 1 33 H
50
8.3000000000E-01 1.5000000000E-01 1.1000000000E-01 1 34 H
51
1.5000000000E-01 1.7000000000E-01 1.1000000000E-01 1 35 H
52
1.1000000000E-01 8.3000000000E-01 1.5000000000E-01 1 36 H
53
1.5000000000E-01 8.3000000000E-01 8.9000000000E-01 1 37 H
54
8.3000000000E-01 8.9000000000E-01 1.5000000000E-01 1 38 H
55
8.5000000000E-01 1.7000000000E-01 8.9000000000E-01 1 39 H
56
1.5000000000E-01 8.9000000000E-01 1.7000000000E-01 1 40 H
57
8.5000000000E-01 1.1000000000E-01 1.7000000000E-01 1 41 H
58
8.3000000000E-01 1.1000000000E-01 8.5000000000E-01 1 42 H
59
1.1000000000E-01 1.5000000000E-01 1.7000000000E-01 1 43 H
60
1.5000000000E-01 1.1000000000E-01 8.3000000000E-01 1 44 H
61
8.9000000000E-01 1.5000000000E-01 8.3000000000E-01 1 45 H
62
8.9000000000E-01 8.5000000000E-01 1.7000000000E-01 1 46 H
63
1.7000000000E-01 1.1000000000E-01 1.5000000000E-01 1 47 H
64
1.7000000000E-01 8.9000000000E-01 8.5000000000E-01 1 48 H
65
%endblock AtomicCoordinatesAndAtomicSpecies
69
SCF.MustConverge .False.