C64_nanographene scsd model output

SCSD model generated from precomputed using D_2h symmetry, available as C64_nanographene

x	y	z	at
4.9282	0.7206	0.0	C
-4.9282	-0.7206	-0.0	C
3.7142	1.4182	0.0	C
-3.7142	-1.4182	-0.0	C
4.9282	-0.7206	0.0	C
-4.9282	0.7206	-0.0	C
6.1427	-1.473	0.0	C
-6.1427	1.473	-0.0	C
6.1516	-2.8251	0.0	C
-6.1516	2.8251	-0.0	C
7.4305	-3.548	0.0	C
-7.4305	3.548	-0.0	C
4.9335	-3.5455	0.0	C
-4.9335	3.5455	-0.0	C
4.9346	-4.9562	-0.0	C
-4.9346	4.9562	0.0	C
6.199	-5.6833	0.0	C
-6.199	5.6833	-0.0	C
3.7438	-5.6419	-0.0	C
-3.7438	5.6419	0.0	C
2.5343	4.9659	0.0	C
-2.5343	-4.9659	-0.0	C
2.5343	-4.9659	-0.0	C
-2.5343	4.9659	0.0	C
2.4819	-3.5645	-0.0	C
-2.4819	3.5645	0.0	C
3.6977	-2.8473	0.0	C
-3.6977	2.8473	-0.0	C
3.7142	-1.4182	0.0	C
-3.7142	1.4182	-0.0	C
2.4736	-0.7039	0.0	C
-2.4736	0.7039	-0.0	C
2.4736	0.7039	0.0	C
-2.4736	-0.7039	-0.0	C
1.2336	1.4192	0.0	C
-1.2336	-1.4192	-0.0	C
0.0	0.7124	0.0	C
0.0	-0.7124	-0.0	C
-1.2336	1.4192	0.0	C
1.2336	-1.4192	-0.0	C
-1.2251	2.8365	0.0	C
1.2251	-2.8365	-0.0	C
3.7438	5.6419	0.0	C
-3.7438	-5.6419	-0.0	C
-0.0	3.5144	0.0	C
0.0	-3.5144	-0.0	C
1.2251	2.8365	0.0	C
-1.2251	-2.8365	-0.0	C
2.4819	3.5645	0.0	C
-2.4819	-3.5645	-0.0	C
4.9346	4.9562	0.0	C
-4.9346	-4.9562	-0.0	C
6.199	5.6833	0.0	C
-6.199	-5.6833	-0.0	C
4.9335	3.5455	0.0	C
-4.9335	-3.5455	-0.0	C
3.6977	2.8473	0.0	C
-3.6977	-2.8473	-0.0	C
6.1516	2.8251	0.0	C
-6.1516	-2.8251	-0.0	C
7.4305	3.548	0.0	C
-7.4305	-3.548	-0.0	C
6.1427	1.473	0.0	C
-6.1427	-1.473	-0.0	C
7.3717	4.9497	0.0	N
-7.3717	-4.9497	-0.0	N
7.3717	-4.9497	0.0	N
-7.3717	4.9497	-0.0	N
6.2487	6.9089	0.0	O
-6.2487	-6.9089	-0.0	O
8.5041	2.9873	0.0	O
-8.5041	-2.9873	-0.0	O
8.5041	-2.9873	0.0	O
-8.5041	2.9873	-0.0	O
6.2487	-6.9089	-0.0	O
-6.2487	6.9089	0.0	O

#C64_nanographene 20240419
model_objs_dict['C64_nanographene'] = scsd_model('C64_nanographene', array([['4.9282', '0.7206', '0.0', 'C'], ['-4.9282', '-0.7206', '-0.0', 'C'], ['3.7142', '1.4182', '0.0', 'C'], ['-3.7142', '-1.4182', '-0.0', 'C'], ['4.9282', '-0.7206', '0.0', 'C'], ['-4.9282', '0.7206', '-0.0', 'C'], ['6.1427', '-1.473', '0.0', 'C'], ['-6.1427', '1.473', '-0.0', 'C'], ['6.1516', '-2.8251', '0.0', 'C'], ['-6.1516', '2.8251', '-0.0', 'C'], ['7.4305', '-3.548', '0.0', 'C'], ['-7.4305', '3.548', '-0.0', 'C'], ['4.9335', '-3.5455', '0.0', 'C'], ['-4.9335', '3.5455', '-0.0', 'C'], ['4.9346', '-4.9562', '-0.0', 'C'], ['-4.9346', '4.9562', '0.0', 'C'], ['6.199', '-5.6833', '0.0', 'C'], ['-6.199', '5.6833', '-0.0', 'C'], ['3.7438', '-5.6419', '-0.0', 'C'], ['-3.7438', '5.6419', '0.0', 'C'], ['2.5343', '4.9659', '0.0', 'C'], ['-2.5343', '-4.9659', '-0.0', 'C'], ['2.5343', '-4.9659', '-0.0', 'C'], ['-2.5343', '4.9659', '0.0', 'C'], ['2.4819', '-3.5645', '-0.0', 'C'], ['-2.4819', '3.5645', '0.0', 'C'], ['3.6977', '-2.8473', '0.0', 'C'], ['-3.6977', '2.8473', '-0.0', 'C'], ['3.7142', '-1.4182', '0.0', 'C'], ['-3.7142', '1.4182', '-0.0', 'C'], ['2.4736', '-0.7039', '0.0', 'C'], ['-2.4736', '0.7039', '-0.0', 'C'], ['2.4736', '0.7039', '0.0', 'C'], ['-2.4736', '-0.7039', '-0.0', 'C'], ['1.2336', '1.4192', '0.0', 'C'], ['-1.2336', '-1.4192', '-0.0', 'C'], ['0.0', '0.7124', '0.0', 'C'], ['0.0', '-0.7124', '-0.0', 'C'], ['-1.2336', '1.4192', '0.0', 'C'], ['1.2336', '-1.4192', '-0.0', 'C'], ['-1.2251', '2.8365', '0.0', 'C'], ['1.2251', '-2.8365', '-0.0', 'C'], ['3.7438', '5.6419', '0.0', 'C'], ['-3.7438', '-5.6419', '-0.0', 'C'], ['-0.0', '3.5144', '0.0', 'C'], ['0.0', '-3.5144', '-0.0', 'C'], ['1.2251', '2.8365', '0.0', 'C'], ['-1.2251', '-2.8365', '-0.0', 'C'], ['2.4819', '3.5645', '0.0', 'C'], ['-2.4819', '-3.5645', '-0.0', 'C'], ['4.9346', '4.9562', '0.0', 'C'], ['-4.9346', '-4.9562', '-0.0', 'C'], ['6.199', '5.6833', '0.0', 'C'], ['-6.199', '-5.6833', '-0.0', 'C'], ['4.9335', '3.5455', '0.0', 'C'], ['-4.9335', '-3.5455', '-0.0', 'C'], ['3.6977', '2.8473', '0.0', 'C'], ['-3.6977', '-2.8473', '-0.0', 'C'], ['6.1516', '2.8251', '0.0', 'C'], ['-6.1516', '-2.8251', '-0.0', 'C'], ['7.4305', '3.548', '0.0', 'C'], ['-7.4305', '-3.548', '-0.0', 'C'], ['6.1427', '1.473', '0.0', 'C'], ['-6.1427', '-1.473', '-0.0', 'C'], ['7.3717', '4.9497', '0.0', 'N'], ['-7.3717', '-4.9497', '-0.0', 'N'], ['7.3717', '-4.9497', '0.0', 'N'], ['-7.3717', '4.9497', '-0.0', 'N'], ['6.2487', '6.9089', '0.0', 'O'], ['-6.2487', '-6.9089', '-0.0', 'O'], ['8.5041', '2.9873', '0.0', 'O'], ['-8.5041', '-2.9873', '-0.0', 'O'], ['8.5041', '-2.9873', '0.0', 'O'], ['-8.5041', '2.9873', '-0.0', 'O'], ['6.2487', '-6.9089', '-0.0', 'O'], ['-6.2487', '6.9089', '0.0', 'O']]), 'D2h' , maxdist = 1.75)