SCSD model generated from precomputed using D2h symmetry, available as acaccu
x | y | z | at |
3.4062 | -2.4958 | 0.0 | C |
2.5819 | -1.2433 | 0.0 | C |
3.2182 | 0.0 | 0.0 | C |
2.5819 | 1.2433 | -0.0 | C |
3.4062 | 2.4958 | -0.0 | C |
-3.4062 | 2.4958 | -0.0 | C |
-2.5819 | 1.2433 | -0.0 | C |
-3.2182 | -0.0 | 0.0 | C |
-2.5819 | -1.2433 | 0.0 | C |
-3.4062 | -2.4958 | 0.0 | C |
0.0 | 0.0 | 0.0 | CU |
1.3115 | -1.3891 | 0.0 | O |
1.3115 | 1.3891 | -0.0 | O |
-1.3115 | 1.3891 | -0.0 | O |
-1.3115 | -1.3891 | 0.0 | O |