MATTER-604 / fixtures /BP_struct_005 /calc_005_SiO2_bad.POSCAR
SiyuLiu's picture
Upload MATTER-604 private review candidate
3dee505 verified
Raw
History Blame Contribute Delete
296 Bytes
SiO2_bad_distorted_cell
1.0
4.9130 0.0000 0.0000
2.4000 4.2550 0.0000
0.0000 0.0000 2.0000
Si O
3 6
Direct
0.4697 0.0000 0.6667
0.0000 0.4697 0.3333
0.5303 0.5303 0.0000
0.4133 0.2667 0.7850
0.1466 0.4133 0.4517
0.7333 0.1466 0.1183
0.5867 0.7333 0.2150
0.8534 0.5867 0.5483
0.2667 0.8534 0.8817