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Bug fix layer group 52, Wyckoff position 4c - #317

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qzhu2017 merged 1 commit into
MaterSim:masterfrom
rees-c:master
Nov 25, 2025
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Bug fix layer group 52, Wyckoff position 4c#317
qzhu2017 merged 1 commit into
MaterSim:masterfrom
rees-c:master

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Fixes a bug where layer group 52's Wyckoff position 4c stores the following positions:

0, 0, 0
1/2, 1/2, 0
1/2, 0, 0
0, 0, 0

instead of:

0, 0, 0
1/2, 1/2, 0
1/2, 0, 0
0, 1/2, 0

@qzhu2017
qzhu2017 merged commit ac2534b into MaterSim:masterNov 25, 2025
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@rees-c@qzhu2017