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

comparison test-data/Si.extxyz @ 0:4bc5e66259ca 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_asephonons commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
author muon-spectroscopy-computational-project
date Thu, 25 Aug 2022 16:17:41 +0000
parents
children
comparison
equal deleted inserted replaced
-1:000000000000 0:4bc5e66259ca
1 8
2 Lattice="5.47545112629462 4.96819156878786e-36 1.10608096941637e-36 4.96819156878786e-36 5.47545112629462 -3.12695835139248e-36 1.10608096941637e-36 -3.12695835139248e-36 5.47545112629462" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:castep_labels:S:1 pbc="T T T"
3 Si 0.00000000 0.00000000 0.00000000 0.00000000 NULL
4 Si 4.10658834 4.10658834 1.36886278 0.00000000 NULL
5 Si 2.73772556 0.00000000 2.73772556 0.00000000 NULL
6 Si 4.10658834 1.36886278 4.10658834 0.00000000 NULL
7 Si 0.00000000 2.73772556 2.73772556 0.00000000 NULL
8 Si 1.36886278 1.36886278 1.36886278 0.00000000 NULL
9 Si 1.36886278 4.10658834 4.10658834 0.00000000 NULL
10 Si 2.73772556 2.73772556 -0.00000000 0.00000000 NULL