Mercurial > repos > muon-spectroscopy-computational-project > pm_uep_opt

view test-data/Si.extxyz @ 6:da177c1ec3b4 draft default tip

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_uep_opt commit 389608650050596b28bc0c055de9f98c513a6f65
author muon-spectroscopy-computational-project
date Fri, 26 Jul 2024 12:58:04 +0000
parents ec5f6b22417c
children
line wrap: on
line source

8
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"
Si       0.00000000       0.00000000       0.00000000       0.00000000 NULL
Si       4.10658834       4.10658834       1.36886278       0.00000000 NULL
Si       2.73772556       0.00000000       2.73772556       0.00000000 NULL
Si       4.10658834       1.36886278       4.10658834       0.00000000 NULL
Si       0.00000000       2.73772556       2.73772556       0.00000000 NULL
Si       1.36886278       1.36886278       1.36886278       0.00000000 NULL
Si       1.36886278       4.10658834       4.10658834       0.00000000 NULL
Si       2.73772556       2.73772556      -0.00000000       0.00000000 NULL