mirror of https://github.com/phonopy/phonopy.git
1003 lines
63 KiB
Plaintext
1003 lines
63 KiB
Plaintext
# CELL file written 00:41:34 (GMT+3.0) 25th June 2020 from run opt
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%BLOCK lattice_cart
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ANG
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5.55590303034721 -0.230202827763682E-54 0.230202827763682E-54
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-0.230202827763682E-54 5.55590303034721 0.230202827763682E-54
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0.230202827763682E-54 0.230202827763682E-54 5.55590303034721
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%ENDBLOCK lattice_cart
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%BLOCK cell_constraints
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1 1 1
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0 0 0
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%ENDBLOCK cell_constraints
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%BLOCK positions_frac
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Na 0.000000000000000 0.000000000000000 0.000000000000000
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Na 0.000000000000000 0.500000000000000 0.500000000000000
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Na 0.500000000000000 0.000000000000000 0.500000000000000
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Na 0.500000000000000 0.500000000000000 0.000000000000000
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Cl 0.500000000000000 0.500000000000000 0.500000000000000
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Cl 0.500000000000000 0.000000000000000 0.000000000000000
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Cl 0.000000000000000 0.500000000000000 0.000000000000000
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Cl 0.000000000000000 0.000000000000000 0.500000000000000
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%ENDBLOCK positions_frac
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FIX_ALL_IONS : true
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FIX_COM : true
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%BLOCK species_pot
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Na ../Na.upf
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Cl ../Cl.upf
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%ENDBLOCK species_pot
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SYMMETRY_TOL : 0.001000
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%BLOCK symmetry_ops
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# Symm. op. 1 E
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 2 I
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 3 4
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 4 -4
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 5 2
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 6 m
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 7 4
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 8 -4
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 9 2
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 10 m
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 11 2
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 12 m
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 13 2
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 14 m
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 15 2
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 16 m
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 17 3
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0.000000000000000 0.000000000000000 -1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 18 -3
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0.000000000000000 0.000000000000000 1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 19 2
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0.000000000000000 1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 20 m
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0.000000000000000 -1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 21 3
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0.000000000000000 0.000000000000000 1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 22 -3
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0.000000000000000 0.000000000000000 -1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 23 4
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0.000000000000000 -1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 24 -4
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0.000000000000000 1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 25 3
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0.000000000000000 0.000000000000000 -1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 26 -3
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0.000000000000000 0.000000000000000 1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 27 2
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0.000000000000000 -1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 28 m
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0.000000000000000 1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 29 3
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0.000000000000000 0.000000000000000 1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 30 -3
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0.000000000000000 0.000000000000000 -1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 31 4
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0.000000000000000 1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 32 -4
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0.000000000000000 -1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 33 3
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 34 -3
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 35 4
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 36 -4
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 37 3
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 38 -3
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 39 2
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 40 m
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 41 3
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 42 -3
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 43 2
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 44 m
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 45 3
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 46 -3
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 47 4
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 48 -4
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 0.000000000000000
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# Symm. op. 49 E
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 50 I
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 51 4_1
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 52 -4
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 53 2_1
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 54 a
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 55 4_1
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 56 -4
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 57 2_1
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 58 b
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 59 2_1
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 60 m
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 61 2
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 62 n
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 63 2_1
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 64 m
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0.000000000000000 0.000000000000000 1.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 65 3_1
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0.000000000000000 0.000000000000000 -1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 66 -3
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0.000000000000000 0.000000000000000 1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 67 2_1
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0.000000000000000 1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 68 m
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0.000000000000000 -1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 69 3_1
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0.000000000000000 0.000000000000000 1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 70 -3
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0.000000000000000 0.000000000000000 -1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 71 4
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0.000000000000000 -1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 72 -4
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0.000000000000000 1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 73 3
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0.000000000000000 0.000000000000000 -1.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 1.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 74 -3
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0.000000000000000 0.000000000000000 1.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 -1.000000000000000 0.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 75 2
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0.000000000000000 -1.000000000000000 0.000000000000000
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-1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 -1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 76 n
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0.000000000000000 1.000000000000000 0.000000000000000
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1.000000000000000 0.000000000000000 0.000000000000000
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0.000000000000000 0.000000000000000 1.000000000000000
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0.500000000000000 0.500000000000000 0.000000000000000
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# Symm. op. 77 3
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 78 -3
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 79 4
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 80 -4
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 81 3_1
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 82 -3
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 83 4_1
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 84 -4
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 85 3
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 86 -3
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 87 2_1
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 88 m
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 89 3_1
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 90 -3
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 91 2_1
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 92 m
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 93 3
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 94 -3
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 95 4_1
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 96 -4
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.500000000000000 0.000000000000000
|
|
# Symm. op. 97 E
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 98 I
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 99 4
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 100 -4
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 101 2
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 102 n
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 103 4
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 104 -4
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 105 2_1
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 106 c
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 107 2_1
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 108 m
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 109 2_1
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 110 a
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 111 2
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 112 n
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 113 3
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 114 -3
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 115 2_1
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 116 m
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 117 3_1
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 118 -3
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 119 4_1
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 120 -4
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 121 3
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 122 -3
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 123 2_1
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 124 m
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 125 3_1
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 126 -3
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 127 4_1
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 128 -4
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 129 3
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 130 -3
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 131 4_1
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 132 -4
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 133 3_1
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 134 -3
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 135 2_1
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 136 m
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 137 3_1
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 138 -3
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 139 2_1
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 140 m
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 141 3
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 142 -3
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 143 4_1
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 144 -4
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.500000000000000 0.000000000000000 0.500000000000000
|
|
# Symm. op. 145 E
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 146 I
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 147 4_1
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 148 -4
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 149 2_1
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 150 c
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 151 4_1
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 152 -4
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 153 2
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 154 n
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 155 2_1
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 156 m
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 157 2_1
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 158 b
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
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0.000000000000000 0.500000000000000 0.500000000000000
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|
# Symm. op. 159 2_1
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0.000000000000000 0.000000000000000 -1.000000000000000
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|
0.000000000000000 -1.000000000000000 0.000000000000000
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|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 160 m
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 161 3
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 162 -3
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 163 2_1
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 164 m
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 165 3_1
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 166 -3
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 167 4_1
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 168 -4
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 169 3_1
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 170 -3
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 171 2_1
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 172 m
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 173 3
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 174 -3
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 175 4_1
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 176 -4
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 177 3
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 178 -3
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 179 4
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 180 -4
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 181 3
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 182 -3
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 183 2
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 184 n
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 185 3_1
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 186 -3
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 187 2_1
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 188 m
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 189 3_1
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 190 -3
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 191 4
|
|
1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 1.000000000000000
|
|
0.000000000000000 -1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
# Symm. op. 192 -4
|
|
-1.000000000000000 0.000000000000000 0.000000000000000
|
|
0.000000000000000 0.000000000000000 -1.000000000000000
|
|
0.000000000000000 1.000000000000000 0.000000000000000
|
|
0.000000000000000 0.500000000000000 0.500000000000000
|
|
%ENDBLOCK symmetry_ops
|
|
|
|
kpoint_mp_grid : 6 6 6
|
|
|
|
kpoint_mp_offset : 0.500000000000000 0.500000000000000 0.500000000000000
|