Mercurial > repos > muon-spectroscopy-computational-project > pm_uep_opt
view test-data/allpos.xyz @ 4:ec5f6b22417c draft
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 70a4d37ecdf5d586703cfc509922311e95d3205c
| author | muon-spectroscopy-computational-project |
|---|---|
| date | Tue, 18 Jul 2023 13:27:15 +0000 |
| parents | |
| children |
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24 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: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 4.10658834 4.10658834 1.36886278 0.00000000 NULL 28.08500000 Si Si 2.73772556 0.00000000 2.73772556 0.00000000 NULL 28.08500000 Si Si 4.10658834 1.36886278 4.10658834 0.00000000 NULL 28.08500000 Si Si 0.00000000 2.73772556 2.73772556 0.00000000 NULL 28.08500000 Si Si 1.36886278 1.36886278 1.36886278 0.00000000 NULL 28.08500000 Si Si 1.36886278 4.10658834 4.10658834 0.00000000 NULL 28.08500000 Si Si 2.73772556 2.73772556 -0.00000000 0.00000000 NULL 28.08500000 Si H 3.12519205 3.04183727 2.99427396 0.00000000 0 0.11342893 H:mu H 4.17010122 2.68526782 3.91925381 0.00000000 0 0.11342893 H:mu H 2.89622675 3.05591660 1.06948758 0.00000000 0 0.11342893 H:mu H 2.49938846 2.73876636 5.01184564 0.00000000 0 0.11342893 H:mu H 1.85640768 1.30566198 0.68430879 0.00000000 0 0.11342893 H:mu H 0.71010928 1.66356372 1.36616075 0.00000000 0 0.11342893 H:mu H 2.92684216 4.55501571 3.17383586 0.00000000 0 0.11342893 H:mu H 4.04160737 2.28599955 2.35781702 0.00000000 0 0.11342893 H:mu H 2.15379948 1.68586666 2.71239184 0.00000000 0 0.11342893 H:mu H 3.36928999 0.88133137 2.64116057 0.00000000 0 0.11342893 H:mu H 4.63124403 3.83032454 4.64052920 0.00000000 0 0.11342893 H:mu H 2.82876687 1.96393752 1.69730779 0.00000000 0 0.11342893 H:mu H 2.17665215 2.14432399 3.91220567 0.00000000 0 0.11342893 H:mu H 1.80587242 2.88299761 2.74679403 0.00000000 0 0.11342893 H:mu H 1.40332274 0.55998727 1.52254060 0.00000000 0 0.11342893 H:mu H 3.25108839 3.56592083 4.15727584 0.00000000 0 0.11342893 H:mu