Mercurial > repos > muon-spectroscopy-computational-project > pm_muairss_write
comparison test-data/Si.extxyz @ 0:0679aeb7cefc draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_write commit d130cf2c46d933fa9d0214ddbd5ddf860f322dc4
| author | muon-spectroscopy-computational-project |
|---|---|
| date | Thu, 25 Aug 2022 16:19:08 +0000 |
| parents | |
| children |
comparison
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| -1:000000000000 | 0:0679aeb7cefc |
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| 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 |