Create hBN_monolayer_4x4_supercell.extxyz

src/sample_structures/hBN_monolayer_4x4_supercell.extxyz

@@ -0,0 +1,34 @@
+32
+Lattice="10.04106798 0.00000000 0.00000000 -5.02053399 8.69581995 0.00000000 0.00000000 0.00000000 15.00000000" Properties=species:S:1:pos:R:3
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+B 2.51026702 1.44930327 7.50000000
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+B 1.25513351 3.62325811 7.50000000
+N 3.76540041 0.72465163 7.50000000
+N 0.00000000 2.89860654 7.50000000
+N 2.51026678 2.89860654 7.50000000
+B -2.51026702 5.79721308 7.50000000
+B 0.00000000 5.79721308 7.50000000
+N -1.25513351 5.07256174 7.50000000
+N 1.25513339 5.07256174 7.50000000
+B -3.76540041 7.97116804 7.50000000
+B -1.25513339 7.97116804 7.50000000
+N -2.51026678 7.24651670 7.50000000
+N 0.00000000 7.24651670 7.50000000
+B 5.02053404 1.44930327 7.50000000
+B 3.76540041 3.62325811 7.50000000
+N 6.27566767 0.72465163 7.50000000
+N 5.02053404 2.89860654 7.50000000
+B 2.51026702 5.79721308 7.50000000
+N 3.76540065 5.07256174 7.50000000
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+N 2.51026726 7.24651670 7.50000000
+B 7.53080082 1.44930327 7.50000000
+B 6.27566719 3.62325811 7.50000000
+N 8.78593445 0.72465163 7.50000000
+N 7.53080082 2.89860654 7.50000000
+B 5.02053356 5.79721308 7.50000000
+N 6.27566719 5.07256174 7.50000000
+B 3.76540041 7.97116804 7.50000000
+N 5.02053404 7.24651670 7.50000000