Mercurial > repos > muon-spectroscopy-computational-project > pm_uep_opt

comparison test-data/Si.xyz @ 4:ec5f6b22417c draft

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
author muon-spectroscopy-computational-project
date Tue, 18 Jul 2023 13:27:15 +0000
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3:523d44fcd03f 4:ec5f6b22417c
1 8
2 Generated by cif2cell 2.0.0. : Kitano, A. et al., Physical Review, Serie 3. B - Condensed Matter (18,1978-) 64, 0452061-0452069 (2001).
3 Si 0.000000000000000 0.000000000000000 0.000000000000000
4 Si 4.035750000000000 4.035750000000000 1.345250000000000
5 Si 2.690500000000000 0.000000000000000 2.690500000000000
6 Si 4.035750000000000 1.345250000000000 4.035750000000000
7 Si 0.000000000000000 2.690500000000000 2.690500000000000
8 Si 1.345250000000000 1.345250000000000 1.345250000000000
9 Si 1.345250000000000 4.035750000000000 4.035750000000000
10 Si 2.690500000000000 2.690500000000000 0.000000000000000