terrylenediimide scsd model output

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

x	y	z	at
2.8702	-1.2436	0.0	C
3.5713	0.0	0.0	C
5.7014	-1.2092	0.0	C
3.6185	-2.4293	0.0	C
5.0238	-2.3901	0.0	C
4.9948	0.0	0.0	C
0.6926	-2.3545	0.0	C
-0.6926	-2.3545	0.0	C
5.0238	2.3901	-0.0	C
1.4253	-1.2233	0.0	C
7.1692	-1.2335	0.0	C
-1.4253	-1.2233	0.0	C
3.6185	2.4293	-0.0	C
-0.7172	-0.0	0.0	C
0.6926	2.3545	-0.0	C
2.8702	1.2436	-0.0	C
-3.6185	-2.4293	0.0	C
1.4253	1.2233	-0.0	C
-4.9948	-0.0	0.0	C
7.1692	1.2335	-0.0	C
-1.4253	1.2233	-0.0	C
-0.6926	2.3545	-0.0	C
-7.1692	1.2335	-0.0	C
-5.7014	1.2092	-0.0	C
-3.5713	-0.0	0.0	C
-5.7014	-1.2092	0.0	C
-2.8702	-1.2436	0.0	C
0.7172	0.0	0.0	C
-7.1692	-1.2335	0.0	C
-2.8702	1.2436	-0.0	C
-3.6185	2.4293	-0.0	C
-5.0238	2.3901	-0.0	C
-5.0238	-2.3901	0.0	C
5.7014	1.2092	-0.0	C
7.8204	0.0	0.0	N
-7.8204	-0.0	0.0	N
-7.8043	2.2643	-0.0	O
7.8043	-2.2643	0.0	O
7.8043	2.2643	-0.0	O
-7.8043	-2.2643	0.0	O

#terrylenediimide 20240425
model_objs_dict['terrylenediimide'] = scsd_model('terrylenediimide', array([['2.8702', '-1.2436', '0.0', 'C'], ['3.5713', '0.0', '0.0', 'C'], ['5.7014', '-1.2092', '0.0', 'C'], ['3.6185', '-2.4293', '0.0', 'C'], ['5.0238', '-2.3901', '0.0', 'C'], ['4.9948', '0.0', '0.0', 'C'], ['0.6926', '-2.3545', '0.0', 'C'], ['-0.6926', '-2.3545', '0.0', 'C'], ['5.0238', '2.3901', '-0.0', 'C'], ['1.4253', '-1.2233', '0.0', 'C'], ['7.1692', '-1.2335', '0.0', 'C'], ['-1.4253', '-1.2233', '0.0', 'C'], ['3.6185', '2.4293', '-0.0', 'C'], ['-0.7172', '-0.0', '0.0', 'C'], ['0.6926', '2.3545', '-0.0', 'C'], ['2.8702', '1.2436', '-0.0', 'C'], ['-3.6185', '-2.4293', '0.0', 'C'], ['1.4253', '1.2233', '-0.0', 'C'], ['-4.9948', '-0.0', '0.0', 'C'], ['7.1692', '1.2335', '-0.0', 'C'], ['-1.4253', '1.2233', '-0.0', 'C'], ['-0.6926', '2.3545', '-0.0', 'C'], ['-7.1692', '1.2335', '-0.0', 'C'], ['-5.7014', '1.2092', '-0.0', 'C'], ['-3.5713', '-0.0', '0.0', 'C'], ['-5.7014', '-1.2092', '0.0', 'C'], ['-2.8702', '-1.2436', '0.0', 'C'], ['0.7172', '0.0', '0.0', 'C'], ['-7.1692', '-1.2335', '0.0', 'C'], ['-2.8702', '1.2436', '-0.0', 'C'], ['-3.6185', '2.4293', '-0.0', 'C'], ['-5.0238', '2.3901', '-0.0', 'C'], ['-5.0238', '-2.3901', '0.0', 'C'], ['5.7014', '1.2092', '-0.0', 'C'], ['7.8204', '0.0', '0.0', 'N'], ['-7.8204', '-0.0', '0.0', 'N'], ['-7.8043', '2.2643', '-0.0', 'O'], ['7.8043', '-2.2643', '0.0', 'O'], ['7.8043', '2.2643', '-0.0', 'O'], ['-7.8043', '-2.2643', '0.0', 'O']]), 'D2h' , maxdist = 1.75, mondrian_limits = [-0.5, -0.5])