Mercurial > repos > muon-spectroscopy-computational-project > pm_asephonons
diff test-data/Si.cell @ 0:4bc5e66259ca draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_asephonons commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
| author | muon-spectroscopy-computational-project |
|---|---|
| date | Thu, 25 Aug 2022 16:17:41 +0000 |
| parents | |
| children |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Si.cell Thu Aug 25 16:17:41 2022 +0000 @@ -0,0 +1,1000 @@ +# CELL file written 11:25:56 (GMT+1.0) 6th September 2021 from run Si + +%BLOCK lattice_cart + ANG + 5.47545112629462 0.496819156878786E-35 0.110608096941637E-35 + 0.496819156878786E-35 5.47545112629462 -0.312695835139248E-35 + 0.110608096941637E-35 -0.312695835139248E-35 5.47545112629462 +%ENDBLOCK lattice_cart + +%BLOCK cell_constraints + 1 1 1 + 0 0 0 +%ENDBLOCK cell_constraints + +%BLOCK positions_frac + Si 0.000000000000000 0.000000000000000 0.000000000000000 + Si 0.750000000000000 0.750000000000000 0.250000000000000 + Si 0.500000000000000 0.000000000000000 0.500000000000000 + Si 0.750000000000000 0.250000000000000 0.750000000000000 + Si 0.000000000000000 0.500000000000000 0.500000000000000 + Si 0.250000000000000 0.250000000000000 0.250000000000000 + Si 0.250000000000000 0.750000000000000 0.750000000000000 + Si 0.500000000000000 0.500000000000000 0.000000000000000 +%ENDBLOCK positions_frac + +FIX_ALL_IONS : true + +FIX_COM : true + +%BLOCK species_pot + Si 3|1.8|5|6|7|30:31:32 +%ENDBLOCK species_pot + +SYMMETRY_TOL : 0.001000 + +%BLOCK symmetry_ops +# Symm. op. 1 E + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 2 2 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 3 2 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 4 2 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 5 -4 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 6 -4 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 7 3 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 8 3 + 0.000000000000000 0.000000000000000 1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 9 3 + 0.000000000000000 0.000000000000000 1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 10 3 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 11 m + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 12 m + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 13 m + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 14 m + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 15 3 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 16 m + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 17 m + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 18 -4 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 19 -4 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 20 -4 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 21 -4 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 22 3 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 23 3 + 0.000000000000000 0.000000000000000 -1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 24 3 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 0.000000000000000 +# Symm. op. 25 d + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 26 I + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 27 d + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 28 d + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 29 2 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 30 4_1 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 31 4_1 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 32 4_1 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 33 4_1 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 34 -3 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 35 -3 + 0.000000000000000 0.000000000000000 1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 36 -3 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 37 -3 + 0.000000000000000 0.000000000000000 1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 38 2_1 + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 39 2_1 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 40 4_1 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 41 4_1 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 42 -3 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 43 -3 + 0.000000000000000 0.000000000000000 -1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 44 -3 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 45 -3 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 46 2 + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 47 2_1 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 48 2 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.250000000000000 0.250000000000000 0.250000000000000 +# Symm. op. 49 E + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.500000000000000 0.500000000000000 0.000000000000000 +# Symm. op. 50 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. 51 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. 52 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. 53 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. 54 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. 55 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. 56 2_1 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.500000000000000 0.500000000000000 0.000000000000000 +# Symm. op. 57 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. 58 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. 59 2 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.500000000000000 0.500000000000000 0.000000000000000 +# Symm. op. 60 2_1 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.500000000000000 0.500000000000000 0.000000000000000 +# Symm. op. 61 -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. 62 -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. 63 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. 64 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. 65 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. 66 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. 67 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. 68 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. 69 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. 70 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. 71 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. 72 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. 73 -4 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.500000000000000 0.500000000000000 0.000000000000000 +# Symm. op. 74 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. 75 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. 76 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. 77 3_1 + 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 m + 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. 79 m + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.500000000000000 0.500000000000000 0.000000000000000 +# Symm. op. 80 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. 81 -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. 82 -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. 83 -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. 84 -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. 85 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. 86 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. 87 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. 88 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. 89 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. 90 -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. 91 -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. 92 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. 93 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. 94 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. 95 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. 96 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. 97 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. 98 -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. 99 -4 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.500000000000000 0.500000000000000 0.000000000000000 +# Symm. op. 100 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. 101 3_1 + 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. 102 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. 103 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. 104 n + 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. 105 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. 106 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. 107 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. 108 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. 109 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. 110 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. 111 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. 112 -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. 113 -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. 114 -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. 115 -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. 116 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. 117 m + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.500000000000000 0.500000000000000 0.000000000000000 +# Symm. op. 118 -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. 119 -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. 120 -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. 121 I + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 122 m? + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 123 m? + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 124 m? + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 125 m? + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 126 I + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 127 m? + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 128 I + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 129 m? + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 130 m? + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 131 m? + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 132 m? + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 133 4_1 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 134 4_2 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 135 -3 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 136 -3 + 0.000000000000000 0.000000000000000 -1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 137 -3 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 138 -3 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 139 2 + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 140 2_1 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 141 2_1 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 142 4_2 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 143 4_2 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 144 4_2 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 145 4_1 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 146 -3 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 147 -3 + 0.000000000000000 0.000000000000000 1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 148 2 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 149 2_1 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 150 4_2 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 151 4_1 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 152 -3 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 153 -3 + 0.000000000000000 0.000000000000000 -1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 154 -3 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 155 -3 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 156 2_1 + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 157 2_1 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 158 2_1 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 159 4_2 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 160 4_1 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 161 4_1 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 162 4_2 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 163 -3 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 164 -3 + 0.000000000000000 0.000000000000000 1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 165 -3 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 166 -3 + 0.000000000000000 0.000000000000000 1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 167 2_1 + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 168 4_1 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 169 4_2 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 170 4_2 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 171 4_2 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 172 -3 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 173 -3 + 0.000000000000000 0.000000000000000 1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 174 -3 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 175 -3 + 0.000000000000000 0.000000000000000 1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 176 2_1 + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 177 2_1 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 178 4_2 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 179 -3 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 180 -3 + 0.000000000000000 0.000000000000000 -1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 181 -3 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 182 -3 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 183 2_1 + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 184 2_1 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 185 2 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 186 2_1 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +# Symm. op. 187 2_1 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.750000000000000 0.250000000000000 +# Symm. op. 188 -3 + 0.000000000000000 0.000000000000000 1.000000000000000 + -1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 189 2_1 + 0.000000000000000 1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 190 2_1 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 191 -3 + 0.000000000000000 1.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 -1.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.750000000000000 0.250000000000000 0.750000000000000 +# Symm. op. 192 4_2 + 0.000000000000000 -1.000000000000000 0.000000000000000 + 1.000000000000000 0.000000000000000 0.000000000000000 + 0.000000000000000 0.000000000000000 1.000000000000000 + 0.250000000000000 0.750000000000000 0.750000000000000 +%ENDBLOCK symmetry_ops + +kpoint_mp_grid : 2 2 2 +