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* elk-transport * minor updates * specify explicitly fortran compiler and python exe in CMAKE Co-authored-by: Alexander Hampel <ahampel@flatironinstitute.org>
581 lines
11 KiB
Plaintext
581 lines
11 KiB
Plaintext
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(translation vectors and rotation matrices are in lattice coordinates)
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48 : nsymcrys
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Crystal symmetry : 1
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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1 0 0
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0 1 0
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0 0 1
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 2
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|
spatial translation :
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|
0.000000000 0.000000000 0.000000000
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spatial rotation :
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-1 0 0
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0 -1 0
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0 0 -1
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 3
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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-1 0 0
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0 0 -1
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0 -1 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 4
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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-1 0 0
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0 0 -1
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0 1 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 5
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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-1 0 0
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0 0 1
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0 -1 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 6
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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-1 0 0
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0 0 1
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0 1 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 7
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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-1 0 0
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0 1 0
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0 0 -1
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 8
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spatial translation :
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0.000000000 0.000000000 0.000000000
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|
spatial rotation :
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-1 0 0
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0 1 0
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|
0 0 1
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 9
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 -1 0
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-1 0 0
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0 0 -1
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 10
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 -1 0
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-1 0 0
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0 0 1
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 11
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 -1 0
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0 0 -1
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-1 0 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 12
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 -1 0
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0 0 -1
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|
1 0 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 13
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 -1 0
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0 0 1
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-1 0 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 14
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 -1 0
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0 0 1
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1 0 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 15
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 -1 0
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1 0 0
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0 0 -1
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 16
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 -1 0
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1 0 0
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0 0 1
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 17
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 0 -1
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-1 0 0
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0 -1 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 18
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 0 -1
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-1 0 0
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0 1 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 19
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 0 -1
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0 -1 0
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|
-1 0 0
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|
global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 20
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|
spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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0 0 -1
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0 -1 0
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1 0 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 21
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spatial translation :
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0.000000000 0.000000000 0.000000000
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|
spatial rotation :
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0 0 -1
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0 1 0
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-1 0 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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Crystal symmetry : 22
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|
spatial translation :
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0.000000000 0.000000000 0.000000000
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|
spatial rotation :
|
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0 0 -1
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|
0 1 0
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|
1 0 0
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|
global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
|
Crystal symmetry : 23
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|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
|
0 0 -1
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|
1 0 0
|
|
0 -1 0
|
|
global spin rotation :
|
|
1 0 0
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|
0 1 0
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|
0 0 1
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|
|
|
Crystal symmetry : 24
|
|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
|
0 0 -1
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|
1 0 0
|
|
0 1 0
|
|
global spin rotation :
|
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1 0 0
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|
0 1 0
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|
0 0 1
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|
|
|
Crystal symmetry : 25
|
|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
|
0 0 1
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|
-1 0 0
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|
0 -1 0
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|
global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
|
Crystal symmetry : 26
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|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
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|
spatial rotation :
|
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0 0 1
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|
-1 0 0
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|
0 1 0
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|
global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
|
Crystal symmetry : 27
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|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
|
0 0 1
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|
0 -1 0
|
|
-1 0 0
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|
global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
|
Crystal symmetry : 28
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|
spatial translation :
|
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0.000000000 0.000000000 0.000000000
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|
spatial rotation :
|
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0 0 1
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|
0 -1 0
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|
1 0 0
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|
global spin rotation :
|
|
1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 29
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|
spatial translation :
|
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0.000000000 0.000000000 0.000000000
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|
spatial rotation :
|
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0 0 1
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|
0 1 0
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|
-1 0 0
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|
global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 30
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spatial translation :
|
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0.000000000 0.000000000 0.000000000
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|
spatial rotation :
|
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0 0 1
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|
0 1 0
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|
1 0 0
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global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 31
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|
spatial translation :
|
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0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
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0 0 1
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|
1 0 0
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|
0 -1 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 32
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|
spatial translation :
|
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0.000000000 0.000000000 0.000000000
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spatial rotation :
|
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0 0 1
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|
1 0 0
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|
0 1 0
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 33
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spatial translation :
|
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0.000000000 0.000000000 0.000000000
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spatial rotation :
|
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0 1 0
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|
-1 0 0
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|
0 0 -1
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global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
|
Crystal symmetry : 34
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spatial translation :
|
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0.000000000 0.000000000 0.000000000
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spatial rotation :
|
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0 1 0
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|
-1 0 0
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|
0 0 1
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|
global spin rotation :
|
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1 0 0
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|
0 1 0
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|
0 0 1
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|
|
|
Crystal symmetry : 35
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|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
|
0 1 0
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|
0 0 -1
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|
-1 0 0
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|
global spin rotation :
|
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1 0 0
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|
0 1 0
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|
0 0 1
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|
|
|
Crystal symmetry : 36
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spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
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0 1 0
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|
0 0 -1
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|
1 0 0
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global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 37
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|
spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
|
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0 1 0
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|
0 0 1
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|
-1 0 0
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global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 38
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spatial translation :
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0.000000000 0.000000000 0.000000000
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spatial rotation :
|
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0 1 0
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|
0 0 1
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|
1 0 0
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global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 39
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|
spatial translation :
|
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0.000000000 0.000000000 0.000000000
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spatial rotation :
|
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0 1 0
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1 0 0
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|
0 0 -1
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global spin rotation :
|
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1 0 0
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0 1 0
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0 0 1
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|
|
Crystal symmetry : 40
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|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
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0 1 0
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|
1 0 0
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|
0 0 1
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 41
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spatial translation :
|
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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1 0 0
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|
0 -1 0
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|
0 0 -1
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global spin rotation :
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1 0 0
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0 1 0
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0 0 1
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|
Crystal symmetry : 42
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spatial translation :
|
|
0.000000000 0.000000000 0.000000000
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spatial rotation :
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1 0 0
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|
0 -1 0
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|
0 0 1
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|
global spin rotation :
|
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1 0 0
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|
0 1 0
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0 0 1
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|
|
Crystal symmetry : 43
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spatial translation :
|
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0.000000000 0.000000000 0.000000000
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spatial rotation :
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1 0 0
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|
0 0 -1
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|
0 -1 0
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|
global spin rotation :
|
|
1 0 0
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|
0 1 0
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0 0 1
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|
|
Crystal symmetry : 44
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|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
|
1 0 0
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|
0 0 -1
|
|
0 1 0
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|
global spin rotation :
|
|
1 0 0
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|
0 1 0
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|
0 0 1
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|
|
Crystal symmetry : 45
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|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
|
1 0 0
|
|
0 0 1
|
|
0 -1 0
|
|
global spin rotation :
|
|
1 0 0
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|
0 1 0
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|
0 0 1
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|
|
|
Crystal symmetry : 46
|
|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
|
1 0 0
|
|
0 0 1
|
|
0 1 0
|
|
global spin rotation :
|
|
1 0 0
|
|
0 1 0
|
|
0 0 1
|
|
|
|
Crystal symmetry : 47
|
|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
|
1 0 0
|
|
0 1 0
|
|
0 0 -1
|
|
global spin rotation :
|
|
1 0 0
|
|
0 1 0
|
|
0 0 1
|
|
|
|
Crystal symmetry : 48
|
|
spatial translation :
|
|
0.000000000 0.000000000 0.000000000
|
|
spatial rotation :
|
|
-1 0 0
|
|
0 -1 0
|
|
0 0 1
|
|
global spin rotation :
|
|
1 0 0
|
|
0 1 0
|
|
0 0 1
|