dipyridyldicarbazole scsd model output

SCSD model generated from precomputed using D_2h symmetry, available as dipyridyldicarbazole

x	y	z	at
4.645	-3.009	0.0	C
2.4219	-2.4792	-0.0	C
1.15	-2.9631	-0.0	C
-1.15	-2.9631	-0.0	C
-2.4219	-2.4792	-0.0	C
-4.645	-3.009	-0.0	C
3.4064	-3.387	0.0	C
1.1916	-3.9661	-0.0	C
0.0	-4.4654	-0.0	C
-1.1916	-3.9661	-0.0	C
-3.4064	-3.387	-0.0	C
-1.15	2.9631	0.0	C
1.15	2.9631	0.0	C
2.4219	2.4792	0.0	C
4.645	3.009	0.0	C
3.949	0.7227	0.0	C
2.6969	1.1316	0.0	C
2.6969	-1.1316	0.0	C
3.949	-0.7227	0.0	C
-3.949	-0.7227	-0.0	C
-2.6969	-1.1316	-0.0	C
-2.6969	1.1316	-0.0	C
-3.949	0.7227	-0.0	C
-4.645	3.009	-0.0	C
-2.4219	2.4792	0.0	C
-1.1916	3.9661	0.0	C
0.0	4.4654	0.0	C
1.1916	3.9661	0.0	C
3.4064	3.387	0.0	C
4.8948	1.6693	0.0	C
4.8948	-1.6693	0.0	C
-4.8948	-1.6693	-0.0	C
-4.8948	1.6693	-0.0	C
-3.4064	3.387	-0.0	C
0.0	-2.4309	-0.0	N
0.0	2.4309	0.0	N
1.9484	0.0	0.0	N
-1.9484	0.0	-0.0	N

#dipyridyldicarbazole 20240425
model_objs_dict['dipyridyldicarbazole'] = scsd_model('dipyridyldicarbazole', array([['4.645', '-3.009', '0.0', 'C'], ['2.4219', '-2.4792', '-0.0', 'C'], ['1.15', '-2.9631', '-0.0', 'C'], ['-1.15', '-2.9631', '-0.0', 'C'], ['-2.4219', '-2.4792', '-0.0', 'C'], ['-4.645', '-3.009', '-0.0', 'C'], ['3.4064', '-3.387', '0.0', 'C'], ['1.1916', '-3.9661', '-0.0', 'C'], ['0.0', '-4.4654', '-0.0', 'C'], ['-1.1916', '-3.9661', '-0.0', 'C'], ['-3.4064', '-3.387', '-0.0', 'C'], ['-1.15', '2.9631', '0.0', 'C'], ['1.15', '2.9631', '0.0', 'C'], ['2.4219', '2.4792', '0.0', 'C'], ['4.645', '3.009', '0.0', 'C'], ['3.949', '0.7227', '0.0', 'C'], ['2.6969', '1.1316', '0.0', 'C'], ['2.6969', '-1.1316', '0.0', 'C'], ['3.949', '-0.7227', '0.0', 'C'], ['-3.949', '-0.7227', '-0.0', 'C'], ['-2.6969', '-1.1316', '-0.0', 'C'], ['-2.6969', '1.1316', '-0.0', 'C'], ['-3.949', '0.7227', '-0.0', 'C'], ['-4.645', '3.009', '-0.0', 'C'], ['-2.4219', '2.4792', '0.0', 'C'], ['-1.1916', '3.9661', '0.0', 'C'], ['0.0', '4.4654', '0.0', 'C'], ['1.1916', '3.9661', '0.0', 'C'], ['3.4064', '3.387', '0.0', 'C'], ['4.8948', '1.6693', '0.0', 'C'], ['4.8948', '-1.6693', '0.0', 'C'], ['-4.8948', '-1.6693', '-0.0', 'C'], ['-4.8948', '1.6693', '-0.0', 'C'], ['-3.4064', '3.387', '-0.0', 'C'], ['0.0', '-2.4309', '-0.0', 'N'], ['0.0', '2.4309', '0.0', 'N'], ['1.9484', '0.0', '0.0', 'N'], ['-1.9484', '0.0', '-0.0', 'N']]), 'D2h' , maxdist = 1.75, mondrian_limits = [-1.0, -1.0])