Unit cell vectors: va= 10.248 0.0 0.0 vb= 6.19034e-10 13.788 0.0 vc= -2.49057 4.16307e-10 6.30814 48 O 1.31672 3.447 3.15407 O 6.44072 3.447 3.15407 O 6.44072 10.341 3.15407 O 1.31672 10.341 3.15407 O 2.92616 2.32328 1.41113 O 4.83128 2.32328 4.89701 O 4.83128 11.4647 4.89701 O 2.92616 11.4647 1.41113 O 8.05016 9.21728 1.41113 O -0.292722 9.21728 4.89701 O -0.292722 4.57072 4.89701 O 8.05016 4.57072 1.41113 O 2.33729 4.87406 1.19728 O 5.42014 4.87406 5.11085 O 5.42014 8.91394 5.11085 O 2.33729 8.91394 1.19728 O 7.46129 11.7681 1.19728 O 0.296141 11.7681 5.11085 O 0.296141 2.01994 5.11085 O 7.46129 2.01994 1.19728 O 3.87872 4.04678 3.15407 O 3.87872 9.74122 3.15407 O -1.24528 10.9408 3.15407 O -1.24528 2.84722 3.15407 O 3.49909 2.18561e-11 0.331177 O 4.25835 3.94451e-10 5.97696 O 8.62309 6.894 0.331177 O -0.865653 6.894 5.97696 O 5.124 2.042 0.0 O 5.124 11.746 0.0 O 4.01196e-10 8.936 0.0 O 2.17838e-10 4.852 0.0 Si 2.61443 3.67174 2.23182 Si 5.143 3.67174 4.07632 Si 5.143 10.1163 4.07632 Si 2.61443 10.1163 2.23182 Si 7.73843 10.5657 2.23182 Si 0.0190031 10.5657 4.07632 Si 0.0190031 3.22226 4.07632 Si 7.73843 3.22226 2.23182 Si 3.58372 1.59389 0.134994 Si 4.17372 1.59389 6.17314 Si 4.17372 12.1941 6.17314 Si 3.58372 12.1941 0.134994 Si 8.70772 8.48789 0.134994 Si -0.950284 8.48789 6.17314 Si -0.950284 5.30011 6.17314 Si 8.70772 5.30011 0.134994