Si conventional cell - geometry example
1.0
5.43 0 0
0 5.43 0
0 0 5.43
Si
8
Direct
0 0 0
0 0.5 0.5
0.5 0 0.5
0.5 0.5 0
0.25 0.25 0.25
0.25 0.75 0.75
0.75 0.25 0.75
0.75 0.75 0.25