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view test-data/Si.extxyz @ 3:fd28cbdb134e draft

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/pm_asephonons commit 70a4d37ecdf5d586703cfc509922311e95d3205c
author muon-spectroscopy-computational-project
date Tue, 18 Jul 2023 13:26:32 +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