Pd-alkynylterpy scsd model output

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

x	y	z	at
3.3572	-3.3572	-5.8704	C
2.8778	-2.8778	-7.0613	C
1.9073	-1.9073	-7.0765	C
1.9073	-1.9073	7.0765	C
2.8778	-2.8778	7.0613	C
3.3572	-3.3572	5.8704	C
2.8517	-2.8517	4.6959	C
1.875	-1.875	4.782	C
3.3082	-3.3082	3.4219	C
3.6887	-3.6887	2.3706	C
4.2012	-4.2012	1.1382	C
5.1422	-5.1422	1.184	C
5.6248	-5.6248	-0.0	C
1.875	1.875	-4.782	C
2.8517	2.8517	-4.6959	C
3.3572	3.3572	-5.8704	C
2.8778	2.8778	-7.0613	C
-1.9073	-1.9073	7.0765	C
3.3082	3.3082	-3.4219	C
3.6887	3.6887	-2.3706	C
4.2012	4.2012	-1.1382	C
5.1422	5.1422	-1.184	C
5.6248	5.6248	0.0	C
3.3572	3.3572	5.8704	C
2.8778	2.8778	7.0613	C
1.9073	1.9073	7.0765	C
5.1422	-5.1422	-1.184	C
4.2012	-4.2012	-1.1382	C
3.6887	-3.6887	-2.3706	C
3.3082	-3.3082	-3.4219	C
1.875	-1.875	-4.782	C
2.8517	-2.8517	-4.6959	C
1.875	1.875	4.782	C
2.8517	2.8517	4.6959	C
4.2012	4.2012	1.1382	C
3.6887	3.6887	2.3706	C
3.3082	3.3082	3.4219	C
5.1422	5.1422	1.184	C
-1.9073	1.9073	-7.0765	C
-2.8778	2.8778	-7.0613	C
-3.3572	3.3572	-5.8704	C
-2.8517	2.8517	-4.6959	C
-1.875	1.875	-4.782	C
-3.3082	3.3082	-3.4219	C
-3.6887	3.6887	-2.3706	C
-4.2012	4.2012	-1.1382	C
-5.1422	5.1422	-1.184	C
-5.6248	5.6248	0.0	C
-1.875	-1.875	4.782	C
-2.8517	-2.8517	4.6959	C
-3.3572	-3.3572	5.8704	C
-2.8778	-2.8778	7.0613	C
1.9073	1.9073	-7.0765	C
-3.3082	-3.3082	3.4219	C
-3.6887	-3.6887	2.3706	C
-4.2012	-4.2012	1.1382	C
-5.1422	-5.1422	1.184	C
-5.6248	-5.6248	-0.0	C
-3.3572	-3.3572	-5.8704	C
-2.8778	-2.8778	-7.0613	C
-1.9073	-1.9073	-7.0765	C
-5.1422	5.1422	1.184	C
-4.2012	4.2012	1.1382	C
-3.6887	3.6887	2.3706	C
-3.3082	3.3082	3.4219	C
-1.875	1.875	4.782	C
-2.8517	2.8517	4.6959	C
-1.875	-1.875	-4.782	C
-2.8517	-2.8517	-4.6959	C
-4.2012	-4.2012	-1.1382	C
-3.6887	-3.6887	-2.3706	C
-3.3082	-3.3082	-3.4219	C
-5.1422	-5.1422	-1.184	C
-3.3572	3.3572	5.8704	C
-2.8778	2.8778	7.0613	C
-1.9073	1.9073	7.0765	C
1.4185	-1.4185	5.9427	N
-1.4185	-1.4185	5.9427	N
1.4185	-1.4185	-5.9427	N
1.4185	1.4185	5.9427	N
3.7175	-3.7175	-0.0	N
3.7175	3.7175	0.0	N
-1.4185	1.4185	-5.9427	N
1.4185	1.4185	-5.9427	N
-1.4185	1.4185	5.9427	N
-1.4185	-1.4185	-5.9427	N
-3.7175	3.7175	0.0	N
-3.7175	-3.7175	-0.0	N
-0.0	-0.0	5.9622	Pd
0.0	0.0	-5.9622	Pd

#Pd-alkynylterpy 20240424
model_objs_dict['Pd-alkynylterpy'] = scsd_model('Pd-alkynylterpy', array([['3.3572', '-3.3572', '-5.8704', 'C'], ['2.8778', '-2.8778', '-7.0613', 'C'], ['1.9073', '-1.9073', '-7.0765', 'C'], ['1.9073', '-1.9073', '7.0765', 'C'], ['2.8778', '-2.8778', '7.0613', 'C'], ['3.3572', '-3.3572', '5.8704', 'C'], ['2.8517', '-2.8517', '4.6959', 'C'], ['1.875', '-1.875', '4.782', 'C'], ['3.3082', '-3.3082', '3.4219', 'C'], ['3.6887', '-3.6887', '2.3706', 'C'], ['4.2012', '-4.2012', '1.1382', 'C'], ['5.1422', '-5.1422', '1.184', 'C'], ['5.6248', '-5.6248', '-0.0', 'C'], ['1.875', '1.875', '-4.782', 'C'], ['2.8517', '2.8517', '-4.6959', 'C'], ['3.3572', '3.3572', '-5.8704', 'C'], ['2.8778', '2.8778', '-7.0613', 'C'], ['-1.9073', '-1.9073', '7.0765', 'C'], ['3.3082', '3.3082', '-3.4219', 'C'], ['3.6887', '3.6887', '-2.3706', 'C'], ['4.2012', '4.2012', '-1.1382', 'C'], ['5.1422', '5.1422', '-1.184', 'C'], ['5.6248', '5.6248', '0.0', 'C'], ['3.3572', '3.3572', '5.8704', 'C'], ['2.8778', '2.8778', '7.0613', 'C'], ['1.9073', '1.9073', '7.0765', 'C'], ['5.1422', '-5.1422', '-1.184', 'C'], ['4.2012', '-4.2012', '-1.1382', 'C'], ['3.6887', '-3.6887', '-2.3706', 'C'], ['3.3082', '-3.3082', '-3.4219', 'C'], ['1.875', '-1.875', '-4.782', 'C'], ['2.8517', '-2.8517', '-4.6959', 'C'], ['1.875', '1.875', '4.782', 'C'], ['2.8517', '2.8517', '4.6959', 'C'], ['4.2012', '4.2012', '1.1382', 'C'], ['3.6887', '3.6887', '2.3706', 'C'], ['3.3082', '3.3082', '3.4219', 'C'], ['5.1422', '5.1422', '1.184', 'C'], ['-1.9073', '1.9073', '-7.0765', 'C'], ['-2.8778', '2.8778', '-7.0613', 'C'], ['-3.3572', '3.3572', '-5.8704', 'C'], ['-2.8517', '2.8517', '-4.6959', 'C'], ['-1.875', '1.875', '-4.782', 'C'], ['-3.3082', '3.3082', '-3.4219', 'C'], ['-3.6887', '3.6887', '-2.3706', 'C'], ['-4.2012', '4.2012', '-1.1382', 'C'], ['-5.1422', '5.1422', '-1.184', 'C'], ['-5.6248', '5.6248', '0.0', 'C'], ['-1.875', '-1.875', '4.782', 'C'], ['-2.8517', '-2.8517', '4.6959', 'C'], ['-3.3572', '-3.3572', '5.8704', 'C'], ['-2.8778', '-2.8778', '7.0613', 'C'], ['1.9073', '1.9073', '-7.0765', 'C'], ['-3.3082', '-3.3082', '3.4219', 'C'], ['-3.6887', '-3.6887', '2.3706', 'C'], ['-4.2012', '-4.2012', '1.1382', 'C'], ['-5.1422', '-5.1422', '1.184', 'C'], ['-5.6248', '-5.6248', '-0.0', 'C'], ['-3.3572', '-3.3572', '-5.8704', 'C'], ['-2.8778', '-2.8778', '-7.0613', 'C'], ['-1.9073', '-1.9073', '-7.0765', 'C'], ['-5.1422', '5.1422', '1.184', 'C'], ['-4.2012', '4.2012', '1.1382', 'C'], ['-3.6887', '3.6887', '2.3706', 'C'], ['-3.3082', '3.3082', '3.4219', 'C'], ['-1.875', '1.875', '4.782', 'C'], ['-2.8517', '2.8517', '4.6959', 'C'], ['-1.875', '-1.875', '-4.782', 'C'], ['-2.8517', '-2.8517', '-4.6959', 'C'], ['-4.2012', '-4.2012', '-1.1382', 'C'], ['-3.6887', '-3.6887', '-2.3706', 'C'], ['-3.3082', '-3.3082', '-3.4219', 'C'], ['-5.1422', '-5.1422', '-1.184', 'C'], ['-3.3572', '3.3572', '5.8704', 'C'], ['-2.8778', '2.8778', '7.0613', 'C'], ['-1.9073', '1.9073', '7.0765', 'C'], ['1.4185', '-1.4185', '5.9427', 'N'], ['-1.4185', '-1.4185', '5.9427', 'N'], ['1.4185', '-1.4185', '-5.9427', 'N'], ['1.4185', '1.4185', '5.9427', 'N'], ['3.7175', '-3.7175', '-0.0', 'N'], ['3.7175', '3.7175', '0.0', 'N'], ['-1.4185', '1.4185', '-5.9427', 'N'], ['1.4185', '1.4185', '-5.9427', 'N'], ['-1.4185', '1.4185', '5.9427', 'N'], ['-1.4185', '-1.4185', '-5.9427', 'N'], ['-3.7175', '3.7175', '0.0', 'N'], ['-3.7175', '-3.7175', '-0.0', 'N'], ['-0.0', '-0.0', '5.9622', 'Pd'], ['0.0', '0.0', '-5.9622', 'Pd']]), 'D4h' , maxdist = 2.2, mondrian_limits = (0, 0))