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Bismut
R LATTICE,NONEQUIV. ATOMS 1
MODE OF CALC=RELA
8.590000 8.590000 22.415000 90.000000 90.000000 90.000000
Atom -1: X=0.23400000 Y=0.23400000 Z=0.23400000
MULT= 2 ISPLIT= 4
Atom -1: X=0.76600000 Y=0.76600000 Z=0.76600000
Bi NPT= 781 R0=0.00001000 RMT= 2.8000 Z: 83.0
1.000000000.000000000.00000000
0.000000001.000000000.00000000
0.000000000.000000001.00000000
12 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
0 0 1 0.0000000
1 0 0 0.0000000
0 1 0 0.0000000
3
0 0-1 0.0000000
0-1 0 0.0000000
-1 0 0 0.0000000
4
-1 0 0 0.0000000
0 0-1 0.0000000
0-1 0 0.0000000
5
0 1 0 0.0000000
0 0 1 0.0000000
1 0 0 0.0000000
6
0-1 0 0.0000000
0 0-1 0.0000000
-1 0 0 0.0000000
7
1 0 0 0.0000000
0 0 1 0.0000000
0 1 0 0.0000000
8
0 0 1 0.0000000
0 1 0 0.0000000
1 0 0 0.0000000
9
0 0-1 0.0000000
-1 0 0 0.0000000
0-1 0 0.0000000
10
0 1 0 0.0000000
1 0 0 0.0000000
0 0 1 0.0000000
11
0-1 0 0.0000000
-1 0 0 0.0000000
0 0-1 0.0000000
12
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