Mercurial > repos > muon-spectroscopy-computational-project > pm_symmetry
view test-data/Si.extxyz @ 3:c062cefbb20f draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_symmetry commit 70a4d37ecdf5d586703cfc509922311e95d3205c
author | muon-spectroscopy-computational-project |
---|---|
date | Tue, 18 Jul 2023 13:27:02 +0000 |
parents | 39d7644724dc |
children |
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8 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" Si 0.00000000 0.00000000 0.00000000 0.00000000 NULL Si 4.10658834 4.10658834 1.36886278 0.00000000 NULL Si 2.73772556 0.00000000 2.73772556 0.00000000 NULL Si 4.10658834 1.36886278 4.10658834 0.00000000 NULL Si 0.00000000 2.73772556 2.73772556 0.00000000 NULL Si 1.36886278 1.36886278 1.36886278 0.00000000 NULL Si 1.36886278 4.10658834 4.10658834 0.00000000 NULL Si 2.73772556 2.73772556 -0.00000000 0.00000000 NULL