Mercurial > repos > muon-spectroscopy-computational-project > pm_muairss_read
annotate test-data/Si_uep_min_cluster_1.cell @ 4:40071ff77285 draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
| author | muon-spectroscopy-computational-project |
|---|---|
| date | Tue, 18 Jul 2023 13:26:40 +0000 |
| parents | |
| children |
| rev | line source |
|---|---|
|
4
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
1 ####################################################### |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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2 #CASTEP cell file: Si_clusters/uep/Si_uep_min_cluster_1.cell |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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3 #Created using the Atomic Simulation Environment (ASE)# |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
4 ####################################################### |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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5 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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6 %BLOCK LATTICE_CART |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
7 10.950902 0.000000 0.000000 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
8 0.000000 10.950902 -0.000000 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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9 0.000000 -0.000000 10.950902 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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10 %ENDBLOCK LATTICE_CART |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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11 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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12 %BLOCK POSITIONS_ABS |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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13 Si 0.000000 0.000000 0.000000 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
14 Si 4.106588 4.106588 1.368863 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
15 Si 2.737726 0.000000 2.737726 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
16 Si 4.106588 1.368863 4.106588 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
17 Si 0.000000 2.737726 2.737726 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
18 Si 1.368863 1.368863 1.368863 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
19 Si 1.368863 4.106588 4.106588 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
20 Si 2.737726 2.737726 0.000000 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
21 Si 0.000000 0.000000 5.475451 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
22 Si 4.106588 4.106588 6.844314 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
23 Si 2.737726 0.000000 8.213177 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
24 Si 4.106588 1.368863 9.582039 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
25 Si 0.000000 2.737726 8.213177 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
26 Si 1.368863 1.368863 6.844314 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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27 Si 1.368863 4.106588 9.582039 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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28 Si 2.737726 2.737726 5.475451 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
29 Si 0.000000 5.475451 0.000000 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
30 Si 4.106588 9.582039 1.368863 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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31 Si 2.737726 5.475451 2.737726 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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32 Si 4.106588 6.844314 4.106588 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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33 Si 0.000000 8.213177 2.737726 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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34 Si 1.368863 6.844314 1.368863 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
35 Si 1.368863 9.582039 4.106588 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
36 Si 2.737726 8.213177 0.000000 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
37 Si 0.000000 5.475451 5.475451 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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38 Si 4.106588 9.582039 6.844314 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
39 Si 2.737726 5.475451 8.213177 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
40 Si 4.106588 6.844314 9.582039 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
41 Si 0.000000 8.213177 8.213177 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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42 Si 1.368863 6.844314 6.844314 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
43 Si 1.368863 9.582039 9.582039 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
44 Si 2.737726 8.213177 5.475451 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
45 Si 5.475451 0.000000 0.000000 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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46 Si 9.582039 4.106588 1.368863 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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47 Si 8.213177 0.000000 2.737726 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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48 Si 9.582039 1.368863 4.106588 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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49 Si 5.475451 2.737726 2.737726 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
50 Si 6.844314 1.368863 1.368863 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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51 Si 6.844314 4.106588 4.106588 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
52 Si 8.213177 2.737726 0.000000 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
53 Si 5.475451 0.000000 5.475451 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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54 Si 9.582039 4.106588 6.844314 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
55 Si 8.213177 0.000000 8.213177 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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56 Si 9.582039 1.368863 9.582039 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
57 Si 5.475451 2.737726 8.213177 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
58 Si 6.844314 1.368863 6.844314 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
59 Si 6.844314 4.106588 9.582039 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
60 Si 8.213177 2.737726 5.475451 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
61 Si 5.475451 5.475451 0.000000 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
62 Si 9.582039 9.582039 1.368863 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
63 Si 8.213177 5.475451 2.737726 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
64 Si 9.582039 6.844314 4.106588 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
65 Si 5.475451 8.213177 2.737726 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
|
66 Si 6.844314 6.844314 1.368863 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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67 Si 6.844314 9.582039 4.106588 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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68 Si 8.213177 8.213177 0.000000 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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69 Si 5.475451 5.475451 5.475451 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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70 Si 9.582039 9.582039 6.844314 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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71 Si 8.213177 5.475451 8.213177 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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72 Si 9.582039 6.844314 9.582039 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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73 Si 5.475451 8.213177 8.213177 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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74 Si 6.844314 6.844314 6.844314 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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75 Si 6.844314 9.582039 9.582039 |
|
40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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76 Si 8.213177 8.213177 5.475451 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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77 H:nu 2.737259 2.736006 2.738945 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
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changeset
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78 %ENDBLOCK POSITIONS_ABS |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
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79 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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80 %BLOCK SPECIES_GAMMA |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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81 radsectesla |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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82 H:nu 851615456.5978916 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
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changeset
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83 %ENDBLOCK SPECIES_GAMMA |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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changeset
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84 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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85 %BLOCK SPECIES_MASS |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
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changeset
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86 AMU |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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87 H:nu 0.1134289259 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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88 %ENDBLOCK SPECIES_MASS |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
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89 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
parents:
diff
changeset
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90 KPOINT_MP_GRID: 1 1 1 |
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40071ff77285
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_read commit 70a4d37ecdf5d586703cfc509922311e95d3205c
muon-spectroscopy-computational-project
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91 FIX_ALL_CELL: True |