Replace Si structure with a smaller one.

aiidateam · Mar 27, 2024 · 0046cb9 · 0046cb9
1 parent 878f1d6
commit 0046cb9
Showing 1 changed file with 3 additions and 9 deletions.
diff --git a/examples/files/si.xyz b/examples/files/si.xyz
@@ -1,10 +1,4 @@
-8
-Lattice="5.43 0.0 0.0 0.0 5.43 0.0 0.0 0.0 5.43" Properties=species:S:1:pos:R:3:spacegroup_kinds:I:1 spacegroup="F d -3 m" unit_cell=conventional pbc="T T T"
+2
+Lattice="3.81196 0.0 0.0 1.9059800000000005 3.3012541982101284 0.0 1.9059800000000005 1.100418066070043 3.112452306633254" Properties=species:S:1:pos:R:3:_aiidalab_viewer_representation_default:I:1 spacegroup="P 1" unit_cell=conventional pbc="T T T"
 Si 0.00000000 0.00000000 0.00000000 0
-Si 0.00000000 2.71500000 2.71500000 0
-Si 2.71500000 2.71500000 0.00000000 0
-Si 2.71500000 0.00000000 2.71500000 0
-Si 4.07250000 1.35750000 4.07250000 0
-Si 1.35750000 1.35750000 1.35750000 0
-Si 1.35750000 4.07250000 4.07250000 0
-Si 4.07250000 4.07250000 1.35750000 0
+Si 1.90598000 1.10041807 0.77811308 0