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blebleble
P LATTICE,NONEQUIV.ATOMS: 2 191_P6/mmm
MODE OF CALC=RELA unit=bohr
8.429120 8.429120 9.701070 90.000000 90.000000120.000000
ATOM -1: X=0.00000000 Y=0.00000000 Z=0.00000000
MULT= 1 ISPLIT= 4
Ba0+ NPT= 781 R0=0.00001000 RMT= 2.5000 Z: 56.0
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
ATOM -2: X=0.33333333 Y=0.66666667 Z=0.50000000
MULT= 2 ISPLIT= 4
-2: X=0.66666667 Y=0.33333333 Z=0.50000000
Ga0+ NPT= 781 R0=0.00005000 RMT= 2.2800 Z: 31.0
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
24 NUMBER OF SYMMETRY OPERATIONS
-1 0 0 0.00000000
-1 1 0 0.00000000
0 0-1 0.00000000
1
-1 0 0 0.00000000
-1 1 0 0.00000000
0 0 1 0.00000000
2
-1 1 0 0.00000000
-1 0 0 0.00000000
0 0-1 0.00000000
3
-1 1 0 0.00000000
-1 0 0 0.00000000
0 0 1 0.00000000
4
-1 0 0 0.00000000
0-1 0 0.00000000
0 0-1 0.00000000
5
-1 0 0 0.00000000
0-1 0 0.00000000
0 0 1 0.00000000
6
-1 1 0 0.00000000
0 1 0 0.00000000
0 0-1 0.00000000
7
-1 1 0 0.00000000
0 1 0 0.00000000
0 0 1 0.00000000
8
0-1 0 0.00000000
-1 0 0 0.00000000
0 0-1 0.00000000
9
0-1 0 0.00000000
-1 0 0 0.00000000
0 0 1 0.00000000
10
0 1 0 0.00000000
-1 1 0 0.00000000
0 0-1 0.00000000
11
0 1 0 0.00000000
-1 1 0 0.00000000
0 0 1 0.00000000
12
0-1 0 0.00000000
1-1 0 0.00000000
0 0-1 0.00000000
13
0-1 0 0.00000000
1-1 0 0.00000000
0 0 1 0.00000000
14
0 1 0 0.00000000
1 0 0 0.00000000
0 0-1 0.00000000
15
0 1 0 0.00000000
1 0 0 0.00000000
0 0 1 0.00000000
16
1-1 0 0.00000000
0-1 0 0.00000000
0 0-1 0.00000000
17
1-1 0 0.00000000
0-1 0 0.00000000
0 0 1 0.00000000
18
1 0 0 0.00000000
0 1 0 0.00000000
0 0-1 0.00000000
19
1 0 0 0.00000000
0 1 0 0.00000000
0 0 1 0.00000000
20
1-1 0 0.00000000
1 0 0 0.00000000
0 0-1 0.00000000
21
1-1 0 0.00000000
1 0 0 0.00000000
0 0 1 0.00000000
22
1 0 0 0.00000000
1-1 0 0.00000000
0 0-1 0.00000000
23
1 0 0 0.00000000
1-1 0 0.00000000
0 0 1 0.00000000
24
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