SCSD model generated from precomputed using D4h symmetry, available as ttdpz
x | y | z | at |
0.7013 | 4.17 | 0.0 | C |
-0.7013 | 4.17 | 0.0 | C |
1.135 | 2.7809 | 0.0 | C |
-1.135 | 2.7809 | 0.0 | C |
-2.7809 | 1.135 | 0.0 | C |
2.7809 | 1.135 | -0.0 | C |
4.17 | 0.7013 | -0.0 | C |
-4.17 | 0.7013 | 0.0 | C |
2.7809 | -1.135 | -0.0 | C |
1.135 | -2.7809 | -0.0 | C |
0.7013 | -4.17 | -0.0 | C |
-0.7013 | -4.17 | -0.0 | C |
-1.135 | -2.7809 | -0.0 | C |
-2.7809 | -1.135 | 0.0 | C |
-4.17 | -0.7013 | 0.0 | C |
4.17 | -0.7013 | -0.0 | C |
1.2615 | 5.3724 | 0.0 | N |
-1.2615 | 5.3724 | 0.0 | N |
0.0 | 2.0033 | 0.0 | N |
2.3994 | 2.3994 | -0.0 | N |
-2.3994 | 2.3994 | 0.0 | N |
-2.0033 | 0.0 | 0.0 | N |
5.3724 | 1.2615 | -0.0 | N |
-5.3724 | 1.2615 | 0.0 | N |
2.0033 | -0.0 | -0.0 | N |
2.3994 | -2.3994 | -0.0 | N |
1.2615 | -5.3724 | -0.0 | N |
-1.2615 | -5.3724 | -0.0 | N |
-0.0 | -2.0033 | -0.0 | N |
-2.3994 | -2.3994 | 0.0 | N |
-5.3724 | -1.2615 | 0.0 | N |
5.3724 | -1.2615 | -0.0 | N |
0.0 | 6.4155 | 0.0 | S |
6.4155 | -0.0 | -0.0 | S |
-0.0 | -6.4155 | -0.0 | S |
-6.4155 | 0.0 | 0.0 | S |