Pd-ethynylpyridylnaphthalene scsd model output

SCSD model generated from precomputed using D_4h symmetry, available as Pd-ethynylpyridylnaphthalene

x	y	z	at
-0.0	-2.6839	-8.3771	C
-0.0	-4.0662	-8.3741	C
-0.0	-4.7659	-7.1881	C
-0.0	-4.0821	-6.0042	C
-0.0	-2.699	-6.0072	C
-0.0	-4.7315	-4.74	C
-0.0	-5.2778	-3.6991	C
-0.0	-7.3386	-2.4	C
-0.0	-8.0245	-1.1999	C
0.0	-7.3392	-0.0	C
-0.0	-5.9689	-0.0	C
-0.0	-8.0245	1.1999	C
-0.0	-7.3386	2.4	C
0.0	-5.9688	2.4011	C
-0.0	-5.2842	1.2002	C
-0.0	-5.2842	-1.2002	C
0.0	-5.9688	-2.4011	C
0.0	-2.6839	8.3771	C
0.0	-4.0662	8.3741	C
0.0	-4.7659	7.1881	C
0.0	-4.0821	6.0042	C
0.0	-2.699	6.0072	C
0.0	-4.7315	4.74	C
0.0	-5.2778	3.6991	C
2.6839	-0.0	8.3771	C
-4.0662	0.0	-8.3741	C
-4.7659	0.0	-7.1881	C
4.0821	-0.0	6.0042	C
2.699	-0.0	6.0072	C
4.7315	-0.0	4.74	C
5.2778	-0.0	3.6991	C
-7.3386	0.0	-2.4	C
-8.0245	0.0	-1.1999	C
-7.3392	0.0	0.0	C
-5.9689	0.0	0.0	C
-8.0245	0.0	1.1999	C
-7.3386	0.0	2.4	C
-5.9688	0.0	2.4011	C
-5.2842	0.0	1.2002	C
-5.2842	0.0	-1.2002	C
-5.9688	0.0	-2.4011	C
-2.6839	-0.0	8.3771	C
-4.0662	-0.0	8.3741	C
-4.7659	0.0	7.1881	C
-4.0821	-0.0	6.0042	C
-2.699	0.0	6.0072	C
-4.7315	0.0	4.74	C
-5.2778	-0.0	3.6991	C
0.0	2.6839	8.3771	C
0.0	4.0662	8.3741	C
0.0	4.7659	7.1881	C
0.0	4.0821	6.0042	C
0.0	2.699	6.0072	C
0.0	4.7315	4.74	C
0.0	5.2778	3.6991	C
0.0	7.3386	2.4	C
0.0	8.0245	1.1999	C
0.0	7.3392	0.0	C
0.0	5.9689	0.0	C
0.0	8.0245	-1.1999	C
0.0	7.3386	-2.4	C
0.0	5.9688	-2.4011	C
0.0	5.2842	-1.2002	C
0.0	5.2842	1.2002	C
0.0	5.9688	2.4011	C
-0.0	2.6839	-8.3771	C
0.0	4.0662	-8.3741	C
0.0	4.7659	-7.1881	C
0.0	4.0821	-6.0042	C
-0.0	2.699	-6.0072	C
0.0	4.7315	-4.74	C
0.0	5.2778	-3.6991	C
-2.6839	0.0	-8.3771	C
4.0662	-0.0	8.3741	C
4.7659	-0.0	7.1881	C
-4.0821	0.0	-6.0042	C
-2.699	0.0	-6.0072	C
-4.7315	0.0	-4.74	C
-5.2778	0.0	-3.6991	C
7.3386	-0.0	2.4	C
8.0245	-0.0	1.1999	C
7.3392	-0.0	-0.0	C
5.9689	-0.0	-0.0	C
8.0245	-0.0	-1.1999	C
7.3386	0.0	-2.4	C
5.9688	-0.0	-2.4011	C
5.2842	-0.0	-1.2002	C
5.2842	0.0	1.2002	C
5.9688	-0.0	2.4011	C
2.6839	0.0	-8.3771	C
4.0662	0.0	-8.3741	C
4.7659	0.0	-7.1881	C
4.0821	0.0	-6.0042	C
2.699	-0.0	-6.0072	C
4.7315	0.0	-4.74	C
5.2778	0.0	-3.6991	C
-0.0	-2.0002	-7.1931	N
0.0	-2.0002	7.1931	N
2.0002	-0.0	7.1931	N
-2.0002	-0.0	7.1931	N
0.0	2.0002	7.1931	N
-0.0	2.0002	-7.1931	N
-2.0002	0.0	-7.1931	N
2.0002	0.0	-7.1931	N
0.0	-0.0	7.1967	Pd
-0.0	0.0	-7.1967	Pd

#Pd-ethynylpyridylnaphthalene 20260119
model_objs_dict['Pd-ethynylpyridylnaphthalene'] = scsd_model('Pd-ethynylpyridylnaphthalene', array([['-0.0', '-2.6839', '-8.3771', 'C'], ['-0.0', '-4.0662', '-8.3741', 'C'], ['-0.0', '-4.7659', '-7.1881', 'C'], ['-0.0', '-4.0821', '-6.0042', 'C'], ['-0.0', '-2.699', '-6.0072', 'C'], ['-0.0', '-4.7315', '-4.74', 'C'], ['-0.0', '-5.2778', '-3.6991', 'C'], ['-0.0', '-7.3386', '-2.4', 'C'], ['-0.0', '-8.0245', '-1.1999', 'C'], ['0.0', '-7.3392', '-0.0', 'C'], ['-0.0', '-5.9689', '-0.0', 'C'], ['-0.0', '-8.0245', '1.1999', 'C'], ['-0.0', '-7.3386', '2.4', 'C'], ['0.0', '-5.9688', '2.4011', 'C'], ['-0.0', '-5.2842', '1.2002', 'C'], ['-0.0', '-5.2842', '-1.2002', 'C'], ['0.0', '-5.9688', '-2.4011', 'C'], ['0.0', '-2.6839', '8.3771', 'C'], ['0.0', '-4.0662', '8.3741', 'C'], ['0.0', '-4.7659', '7.1881', 'C'], ['0.0', '-4.0821', '6.0042', 'C'], ['0.0', '-2.699', '6.0072', 'C'], ['0.0', '-4.7315', '4.74', 'C'], ['0.0', '-5.2778', '3.6991', 'C'], ['2.6839', '-0.0', '8.3771', 'C'], ['-4.0662', '0.0', '-8.3741', 'C'], ['-4.7659', '0.0', '-7.1881', 'C'], ['4.0821', '-0.0', '6.0042', 'C'], ['2.699', '-0.0', '6.0072', 'C'], ['4.7315', '-0.0', '4.74', 'C'], ['5.2778', '-0.0', '3.6991', 'C'], ['-7.3386', '0.0', '-2.4', 'C'], ['-8.0245', '0.0', '-1.1999', 'C'], ['-7.3392', '0.0', '0.0', 'C'], ['-5.9689', '0.0', '0.0', 'C'], ['-8.0245', '0.0', '1.1999', 'C'], ['-7.3386', '0.0', '2.4', 'C'], ['-5.9688', '0.0', '2.4011', 'C'], ['-5.2842', '0.0', '1.2002', 'C'], ['-5.2842', '0.0', '-1.2002', 'C'], ['-5.9688', '0.0', '-2.4011', 'C'], ['-2.6839', '-0.0', '8.3771', 'C'], ['-4.0662', '-0.0', '8.3741', 'C'], ['-4.7659', '0.0', '7.1881', 'C'], ['-4.0821', '-0.0', '6.0042', 'C'], ['-2.699', '0.0', '6.0072', 'C'], ['-4.7315', '0.0', '4.74', 'C'], ['-5.2778', '-0.0', '3.6991', 'C'], ['0.0', '2.6839', '8.3771', 'C'], ['0.0', '4.0662', '8.3741', 'C'], ['0.0', '4.7659', '7.1881', 'C'], ['0.0', '4.0821', '6.0042', 'C'], ['0.0', '2.699', '6.0072', 'C'], ['0.0', '4.7315', '4.74', 'C'], ['0.0', '5.2778', '3.6991', 'C'], ['0.0', '7.3386', '2.4', 'C'], ['0.0', '8.0245', '1.1999', 'C'], ['0.0', '7.3392', '0.0', 'C'], ['0.0', '5.9689', '0.0', 'C'], ['0.0', '8.0245', '-1.1999', 'C'], ['0.0', '7.3386', '-2.4', 'C'], ['0.0', '5.9688', '-2.4011', 'C'], ['0.0', '5.2842', '-1.2002', 'C'], ['0.0', '5.2842', '1.2002', 'C'], ['0.0', '5.9688', '2.4011', 'C'], ['-0.0', '2.6839', '-8.3771', 'C'], ['0.0', '4.0662', '-8.3741', 'C'], ['0.0', '4.7659', '-7.1881', 'C'], ['0.0', '4.0821', '-6.0042', 'C'], ['-0.0', '2.699', '-6.0072', 'C'], ['0.0', '4.7315', '-4.74', 'C'], ['0.0', '5.2778', '-3.6991', 'C'], ['-2.6839', '0.0', '-8.3771', 'C'], ['4.0662', '-0.0', '8.3741', 'C'], ['4.7659', '-0.0', '7.1881', 'C'], ['-4.0821', '0.0', '-6.0042', 'C'], ['-2.699', '0.0', '-6.0072', 'C'], ['-4.7315', '0.0', '-4.74', 'C'], ['-5.2778', '0.0', '-3.6991', 'C'], ['7.3386', '-0.0', '2.4', 'C'], ['8.0245', '-0.0', '1.1999', 'C'], ['7.3392', '-0.0', '-0.0', 'C'], ['5.9689', '-0.0', '-0.0', 'C'], ['8.0245', '-0.0', '-1.1999', 'C'], ['7.3386', '0.0', '-2.4', 'C'], ['5.9688', '-0.0', '-2.4011', 'C'], ['5.2842', '-0.0', '-1.2002', 'C'], ['5.2842', '0.0', '1.2002', 'C'], ['5.9688', '-0.0', '2.4011', 'C'], ['2.6839', '0.0', '-8.3771', 'C'], ['4.0662', '0.0', '-8.3741', 'C'], ['4.7659', '0.0', '-7.1881', 'C'], ['4.0821', '0.0', '-6.0042', 'C'], ['2.699', '-0.0', '-6.0072', 'C'], ['4.7315', '0.0', '-4.74', 'C'], ['5.2778', '0.0', '-3.6991', 'C'], ['-0.0', '-2.0002', '-7.1931', 'N'], ['0.0', '-2.0002', '7.1931', 'N'], ['2.0002', '-0.0', '7.1931', 'N'], ['-2.0002', '-0.0', '7.1931', 'N'], ['0.0', '2.0002', '7.1931', 'N'], ['-0.0', '2.0002', '-7.1931', 'N'], ['-2.0002', '0.0', '-7.1931', 'N'], ['2.0002', '0.0', '-7.1931', 'N'], ['0.0', '-0.0', '7.1967', 'Pd'], ['-0.0', '0.0', '-7.1967', 'Pd']]), 'D4h' , maxdist = 2.2, mondrian_limits = [0.0, 0.0])