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

diff 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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--- /dev/null	Thu Jan 01 00:00:00 1970 +0000
+++ b/test-data/Basic.cell	Tue Jul 18 13:26:20 2023 +0000
@@ -0,0 +1,12 @@
+%BLOCK LATTICE_CART
+   14.18160000000000   0.000000000000000   0.000000000000000
+   0.000000000000000   14.18160000000000   0.000000000000000
+   0.000000000000000   0.000000000000000   14.18160000000000
+%ENDBLOCK LATTICE_CART
+
+%BLOCK POSITIONS_FRAC
+V             0.0791557133        0.0000005853        0.1708904764
+V             0.9161667724        0.0000005823        0.8325662729
+Si            0.4996287249        0.8331358706        0.8331663251
+H             0.1666672745        0.0000018274        0.0833332099
+%ENDBLOCK POSITIONS_FRAC