Mercurial > repos > muon-spectroscopy-computational-project > pm_symmetry
diff test-data/Si.xyz @ 0:39d7644724dc draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
author | muon-spectroscopy-computational-project |
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date | Thu, 25 Aug 2022 16:19:38 +0000 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/Si.xyz Thu Aug 25 16:19:38 2022 +0000 @@ -0,0 +1,10 @@ +8 +Generated by cif2cell 2.0.0. : Kitano, A. et al., Physical Review, Serie 3. B - Condensed Matter (18,1978-) 64, 0452061-0452069 (2001). +Si 0.000000000000000 0.000000000000000 0.000000000000000 +Si 4.035750000000000 4.035750000000000 1.345250000000000 +Si 2.690500000000000 0.000000000000000 2.690500000000000 +Si 4.035750000000000 1.345250000000000 4.035750000000000 +Si 0.000000000000000 2.690500000000000 2.690500000000000 +Si 1.345250000000000 1.345250000000000 1.345250000000000 +Si 1.345250000000000 4.035750000000000 4.035750000000000 +Si 2.690500000000000 2.690500000000000 0.000000000000000