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Cr3Si
P LATTICE,NONEQUIV.ATOMS: 2223_Pm-3n
MODE OF CALC=RELA unit=ang
8.615265 8.615265 8.615265 90.000000 90.000000 90.000000
ATOM -1: X=0.25000000 Y=0.00000000 Z=0.50000000
MULT= 6 ISPLIT=-2
-1: X=0.75000000 Y=0.00000000 Z=0.50000000
-1: X=0.50000000 Y=0.75000000 Z=0.00000000
-1: X=0.50000000 Y=0.25000000 Z=0.00000000
-1: X=0.00000000 Y=0.50000000 Z=0.75000000
-1: X=0.00000000 Y=0.50000000 Z=0.25000000
Cr1 NPT= 781 R0=0.00005000 RMT= 2.1000 Z: 24.0
LOCAL ROT MATRIX: 0.0000000 0.0000000 1.0000000
0.7071068-0.7071068 0.0000000
0.7071068 0.7071068 0.0000000
ATOM 2: X=0.00000000 Y=0.00000000 Z=0.00000000
MULT= 2 ISPLIT= 2
2: X=0.50000000 Y=0.50000000 Z=0.50000000
Si1 NPT= 781 R0=0.00010000 RMT= 2.1000 Z: 14.0
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
48 NUMBER OF SYMMETRY OPERATIONS
-1 0 0 0.0000000
0-1 0 0.0000000
0 0-1 0.0000000
1
-1 0 0 0.0000000
0-1 0 0.0000000
0 0 1 0.0000000
2
-1 0 0 0.0000000
0 1 0 0.0000000
0 0-1 0.0000000
3
-1 0 0 0.0000000
0 1 0 0.0000000
0 0 1 0.0000000
4
0 0-1 0.0000000
-1 0 0 0.0000000
0-1 0 0.0000000
5
0 0 1 0.0000000
-1 0 0 0.0000000
0-1 0 0.0000000
6
0 0-1 0.0000000
-1 0 0 0.0000000
0 1 0 0.0000000
7
0 0 1 0.0000000
-1 0 0 0.0000000
0 1 0 0.0000000
8
0-1 0 0.0000000
0 0-1 0.0000000
-1 0 0 0.0000000
9
0-1 0 0.0000000
0 0 1 0.0000000
-1 0 0 0.0000000
10
0 1 0 0.0000000
0 0-1 0.0000000
-1 0 0 0.0000000
11
0 1 0 0.0000000
0 0 1 0.0000000
-1 0 0 0.0000000
12
0-1 0 0.0000000
0 0-1 0.0000000
1 0 0 0.0000000
13
0-1 0 0.0000000
0 0 1 0.0000000
1 0 0 0.0000000
14
0 1 0 0.0000000
0 0-1 0.0000000
1 0 0 0.0000000
15
0 1 0 0.0000000
0 0 1 0.0000000
1 0 0 0.0000000
16
0 0-1 0.0000000
1 0 0 0.0000000
0-1 0 0.0000000
17
0 0 1 0.0000000
1 0 0 0.0000000
0-1 0 0.0000000
18
0 0-1 0.0000000
1 0 0 0.0000000
0 1 0 0.0000000
19
0 0 1 0.0000000
1 0 0 0.0000000
0 1 0 0.0000000
20
1 0 0 0.0000000
0-1 0 0.0000000
0 0-1 0.0000000
21
1 0 0 0.0000000
0-1 0 0.0000000
0 0 1 0.0000000
22
1 0 0 0.0000000
0 1 0 0.0000000
0 0-1 0.0000000
23
1 0 0 0.0000000
0 1 0 0.0000000
0 0 1 0.0000000
24
-1 0 0 0.5000000
0 0 1 0.5000000
0 1 0 0.5000000
25
-1 0 0 0.5000000
0 0-1 0.5000000
0-1 0 0.5000000
26
-1 0 0 0.5000000
0 0 1 0.5000000
0-1 0 0.5000000
27
0 0-1 0.5000000
0-1 0 0.5000000
1 0 0 0.5000000
28
0 0 1 0.5000000
0-1 0 0.5000000
1 0 0 0.5000000
29
0 0-1 0.5000000
0 1 0 0.5000000
1 0 0 0.5000000
30
0 0 1 0.5000000
0 1 0 0.5000000
1 0 0 0.5000000
31
0 1 0 0.5000000
-1 0 0 0.5000000
0 0-1 0.5000000
32
0 1 0 0.5000000
-1 0 0 0.5000000
0 0 1 0.5000000
33
0-1 0 0.5000000
1 0 0 0.5000000
0 0-1 0.5000000
34
0-1 0 0.5000000
1 0 0 0.5000000
0 0 1 0.5000000
35
0-1 0 0.5000000
-1 0 0 0.5000000
0 0-1 0.5000000
36
0-1 0 0.5000000
-1 0 0 0.5000000
0 0 1 0.5000000
37
0 0-1 0.5000000
0-1 0 0.5000000
-1 0 0 0.5000000
38
0 0 1 0.5000000
0-1 0 0.5000000
-1 0 0 0.5000000
39
0 1 0 0.5000000
1 0 0 0.5000000
0 0-1 0.5000000
40
0 1 0 0.5000000
1 0 0 0.5000000
0 0 1 0.5000000
41
0 0-1 0.5000000
0 1 0 0.5000000
-1 0 0 0.5000000
42
0 0 1 0.5000000
0 1 0 0.5000000
-1 0 0 0.5000000
43
1 0 0 0.5000000
0 0-1 0.5000000
0-1 0 0.5000000
44
1 0 0 0.5000000
0 0 1 0.5000000
0-1 0 0.5000000
45
1 0 0 0.5000000
0 0-1 0.5000000
0 1 0 0.5000000
46
1 0 0 0.5000000
0 0 1 0.5000000
0 1 0 0.5000000
47
-1 0 0 0.5000000
0 0-1 0.5000000
0 1 0 0.5000000
48
|
