SCSD model generated from
precomputed
using D
3h
symmetry, available as
bcp
Table 1; Model atom positions
x
y
z
0.0
-0.0
0.9431
0.0
-0.0
-0.9431
1.2327
0.0
-0.0
-0.6163
1.0675
0.0
-0.6164
-1.0675
0.0
Copy Table
Figure 2; Model atom positions and symmetry operations
show SCSD values
#bcp 20240425 model_objs_dict['bcp'] = scsd_model('bcp', array([[0.0, -0.0, 0.9431], [0.0, -0.0, -0.9431], [1.2327, 0.0, -0.0], [-0.6163, 1.0675, 0.0], [-0.6164, -1.0675, 0.0]]), 'D3h' , maxdist = 1.75)