Mercurial > repos > muon-spectroscopy-computational-project > pm_uep_opt
annotate test-data/Si.extxyz @ 5:eea73e1f65cb draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 8e96fbcca17150ece3ee6bf15bf0969bd014a5ca
author | muon-spectroscopy-computational-project |
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date | Wed, 26 Jul 2023 17:23:11 +0000 |
parents | ec5f6b22417c |
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rev | line source |
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4
ec5f6b22417c
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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1 8 |
ec5f6b22417c
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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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" |
ec5f6b22417c
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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3 Si 0.00000000 0.00000000 0.00000000 0.00000000 NULL |
ec5f6b22417c
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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4 Si 4.10658834 4.10658834 1.36886278 0.00000000 NULL |
ec5f6b22417c
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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5 Si 2.73772556 0.00000000 2.73772556 0.00000000 NULL |
ec5f6b22417c
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
6 Si 4.10658834 1.36886278 4.10658834 0.00000000 NULL |
ec5f6b22417c
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
7 Si 0.00000000 2.73772556 2.73772556 0.00000000 NULL |
ec5f6b22417c
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
8 Si 1.36886278 1.36886278 1.36886278 0.00000000 NULL |
ec5f6b22417c
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
9 Si 1.36886278 4.10658834 4.10658834 0.00000000 NULL |
ec5f6b22417c
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
10 Si 2.73772556 2.73772556 -0.00000000 0.00000000 NULL |