diff --git a/ABACUS/MgO_LCAO/optimization/STRU b/ABACUS/MgO_LCAO/optimization/STRU
index 0dfcd2c84efc25803a41aedd863bb87e3bf919d2..3e9d80f6fdb79d6342a448ad72b2e3fc4c9dda4d 100644
--- a/ABACUS/MgO_LCAO/optimization/STRU
+++ b/ABACUS/MgO_LCAO/optimization/STRU
@@ -19,15 +19,15 @@ Direct
 Mg 
 0.0 
 4 
-0.0 0.0 0.0 0 0 0 
-0.0 0.5 0.5 0 0 0
-0.5 0.0 0.5 0 0 0
-0.5 0.5 0.0 0 0 0
+0.0 0.0 0.0 1 1 1 
+0.0 0.5 0.5 1 1 1
+0.5 0.0 0.5 1 1 1
+0.5 0.5 0.0 1 1 1
 
 O
 0.0 
 4 
-0.5 0.0 0.0 0 0 0
-0.5 0.5 0.5 0 0 0 
-0.0 0.0 0.5 0 0 0 
-0.0 0.5 0.0 0 0 0
+0.5 0.0 0.0 1 1 1
+0.5 0.5 0.5 1 1 1 
+0.0 0.0 0.5 1 1 1 
+0.0 0.5 0.0 1 1 1
diff --git a/ABACUS/MgO_PW/optimization/STRU b/ABACUS/MgO_PW/optimization/STRU
index 6bd8a1a56fb5d884bfebef7ac3ca87ef3c3499c0..23584eaa684c8f35a0fb79b2438c6edd010f8953 100644
--- a/ABACUS/MgO_PW/optimization/STRU
+++ b/ABACUS/MgO_PW/optimization/STRU
@@ -15,15 +15,15 @@ Direct
 Mg 
 0.0 
 4 
-0.0 0.0 0.0 0 0 0 
-0.0 0.5 0.5 0 0 0
-0.5 0.0 0.5 0 0 0
-0.5 0.5 0.0 0 0 0
+0.0 0.0 0.0 1 1 1 
+0.0 0.5 0.5 1 1 1
+0.5 0.0 0.5 1 1 1
+0.5 0.5 0.0 1 1 1
 
 O
 0.0 
 4 
-0.5 0.0 0.0 0 0 0
-0.5 0.5 0.5 0 0 0 
-0.0 0.0 0.5 0 0 0 
-0.0 0.5 0.0 0 0 0
+0.5 0.0 0.0 1 1 1
+0.5 0.5 0.5 1 1 1 
+0.0 0.0 0.5 1 1 1 
+0.0 0.5 0.0 1 1 1