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

comparison test-data/Basic.cell @ 4:e1e338f56656 draft default tip

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planemo upload for repository https://github.com/muon-spectroscopy-computational-project/muon-galaxy-tools/main/muspinsim_config commit 70a4d37ecdf5d586703cfc509922311e95d3205c
author muon-spectroscopy-computational-project
date Tue, 18 Jul 2023 13:26:20 +0000
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3:331d0776abb4 4:e1e338f56656
1 %BLOCK LATTICE_CART
2 14.18160000000000 0.000000000000000 0.000000000000000
3 0.000000000000000 14.18160000000000 0.000000000000000
4 0.000000000000000 0.000000000000000 14.18160000000000
5 %ENDBLOCK LATTICE_CART
6
7 %BLOCK POSITIONS_FRAC
8 V 0.0791557133 0.0000005853 0.1708904764
9 V 0.9161667724 0.0000005823 0.8325662729
10 Si 0.4996287249 0.8331358706 0.8331663251
11 H 0.1666672745 0.0000018274 0.0833332099
12 %ENDBLOCK POSITIONS_FRAC