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Merge pull request #317 from rees-c/master
Bug fix layer group 52, Wyckoff position 4c
2 parents f301590 + 2755f5a commit ac2534b

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pyxtal/database/layer.csv

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -51,7 +51,7 @@
5151
49,"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z'],['0,1/2,z','1/2,0,z'],['1/2,1/2,z'],['0,0,z']]"
5252
50,"[['x,y,z','-x,-y,z','y,-x,-z','-y,x,-z'],['0,1/2,z','1/2,0,-z'],['1/2,1/2,z','1/2,1/2,-z'],['0,0,z','0,0,-z'],['1/2,1/2,0'],['0,0,0']]"
5353
51,"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','-x,-y,-z','x,y,-z','y,-x,-z','-y,x,-z'],['x,y,0','-x,-y,0','-y,x,0','y,-x,0'],['0,1/2,z','1/2,0,z','0,1/2,-z','1/2,0,-z'],['1/2,1/2,z','1/2,1/2,-z'],['0,0,z','0,0,-z'],['0,1/2,0','1/2,0,0'],['1/2,1/2,0'],['0,0,0']]"
54-
52,"[['x,y,z','-x+1/2,-y+1/2,z','-y+1/2,x,z','y,-x+1/2,z','-x,-y,-z','x+1/2,y+1/2,-z','y+1/2,-x,-z','-y,x+1/2,-z'],['1/4,3/4,z','3/4,1/4,z','3/4,1/4,-z','1/4,3/4,-z'],['0,0,0','1/2,1/2,0','1/2,0,0','0,0,0'],['1/4,1/4,z','3/4,3/4,-z'],['1/4,3/4,0','3/4,1/4,0']]"
54+
52,"[['x,y,z','-x+1/2,-y+1/2,z','-y+1/2,x,z','y,-x+1/2,z','-x,-y,-z','x+1/2,y+1/2,-z','y+1/2,-x,-z','-y,x+1/2,-z'],['1/4,3/4,z','3/4,1/4,z','3/4,1/4,-z','1/4,3/4,-z'],['0,0,0','1/2,1/2,0','1/2,0,0','0,1/2,0'],['1/4,1/4,z','3/4,3/4,-z'],['1/4,3/4,0','3/4,1/4,0']]"
5555
53,"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','-x,y,-z','x,-y,-z','y,x,-z','-y,-x,-z'],['x,1/2,0','-x,1/2,0','1/2,x,0','1/2,-x,0'],['x,0,0','-x,0,0','0,x,0','0,-x,0'],['x,x,0','-x,-x,0','-x,x,0','x,-x,0'],['0,1/2,z','1/2,0,z','0,1/2,-z','1/2,0,-z'],['1/2,1/2,z','1/2,1/2,-z'],['0,0,z','0,0,-z'],['1/2,0,0','0,1/2,0'],['1/2,1/2,0'],['0,0,0']]"
5656
54,"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','-x+1/2,y+1/2,-z','x+1/2,-y+1/2,-z','y+1/2,x+1/2,-z','-y+1/2,-x+1/2,-z'],['x,x+1/2,0','-x,-x+1/2,0','-x+1/2,x,0','x+1/2,-x,0'],['0,1/2,z','1/2,0,z','1/2,0,-z','0,1/2,-z'],['0,0,z','1/2,1/2,-z'],['0,1/2,0','1/2,0,0']]"
5757
55,"[['x,y,z','-x,-y,z','-y,x,z','y,-x,z','x,-y,z','-x,y,z','-y,-x,z','y,x,z'],['x,1/2,z','-x,1/2,z','1/2,x,z','1/2,-x,z'],['x,0,z','-x,0,z','0,x,z','0,-x,z'],['x,x,z','-x,-x,z','-x,x,z','x,-x,z'],['1/2,0,z','0,1/2,z'],['1/2,1/2,z'],['0,0,z']]"

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