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

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

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
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
parents
children
line wrap: on
line diff
--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Si.xyz	Tue Jul 18 13:27:15 2023 +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