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view test-data/Si.extxyz @ 4:b47a2fd2b10f draft default tip

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_asephonons commit 389608650050596b28bc0c055de9f98c513a6f65
author muon-spectroscopy-computational-project
date Thu, 18 Jul 2024 09:07:17 +0000
parents 4bc5e66259ca
children
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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