Mercurial > repos > muon-spectroscopy-computational-project > pm_muairss_write
view test-data/allpos.xyz @ 2:8e5dbded3070 draft default tip
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_muairss_write commit 4f06b404d8b7fb83995f3052faa7e2ec7811f507
| author | muon-spectroscopy-computational-project |
|---|---|
| date | Fri, 03 Feb 2023 15:39:39 +0000 |
| parents | |
| children |
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24 Lattice="5.47538171155659 5.3076732197316e-36 -1.31324260787022e-35 5.3076732197316e-36 5.47538171155659 3.13104997179767e-36 -1.31324260787022e-35 3.13104997179767e-36 5.47538171155659" Properties=species:S:1:pos:R:3:initial_magmoms:R:1:castep_labels:S:1:masses:R:1:castep_custom_species:S:1 pbc="T T T" Si 0.00000000 0.00000000 0.00000000 0.00000000 NULL 28.08500000 Si Si -0.00000000 2.73769086 2.73769086 0.00000000 NULL 28.08500000 Si Si 1.36884543 1.36884543 1.36884543 0.00000000 NULL 28.08500000 Si Si 2.73769086 0.00000000 2.73769086 0.00000000 NULL 28.08500000 Si Si 1.36884543 4.10653628 4.10653628 0.00000000 NULL 28.08500000 Si Si 4.10653628 1.36884543 4.10653628 0.00000000 NULL 28.08500000 Si Si 4.10653628 4.10653628 1.36884543 0.00000000 NULL 28.08500000 Si Si 2.73769086 2.73769086 -0.00000000 0.00000000 NULL 28.08500000 Si H 3.12515243 3.04179871 2.99423600 0.00000000 0.11342893 H:mu H 4.17004836 2.68523378 3.91920412 0.00000000 0.11342893 H:mu H 2.89619003 3.05587786 1.06947402 0.00000000 0.11342893 H:mu H 2.49935677 2.73873164 5.01178210 0.00000000 0.11342893 H:mu H 1.85638414 1.30564543 0.68430012 0.00000000 0.11342893 H:mu H 0.71010028 1.66354263 1.36614343 0.00000000 0.11342893 H:mu H 2.92680506 4.55495797 3.17379562 0.00000000 0.11342893 H:mu H 4.04155613 2.28597057 2.35778713 0.00000000 0.11342893 H:mu H 2.15377218 1.68584529 2.71235746 0.00000000 0.11342893 H:mu H 3.36924728 0.88132020 2.64112709 0.00000000 0.11342893 H:mu H 4.63118531 3.83027598 4.64047037 0.00000000 0.11342893 H:mu H 2.82873101 1.96391263 1.69728627 0.00000000 0.11342893 H:mu H 2.17662455 2.14429680 3.91215608 0.00000000 0.11342893 H:mu H 1.80584952 2.88296106 2.74675920 0.00000000 0.11342893 H:mu H 1.40330495 0.55998017 1.52252130 0.00000000 0.11342893 H:mu H 3.25104718 3.56587562 4.15722314 0.00000000 0.11342893 H:mu