hexabenzotriphenylene scsd model output

SCSD model generated from precomputed using D_3h symmetry, available as hexabenzotriphenylene

x	y	z	at
5.1813	-1.4165	-0.0	C
5.2802	-2.7584	-0.0	C
4.1092	-3.4336	-0.0	C
2.9518	-2.7339	-0.0	C
2.6491	-1.3683	-0.0	C
3.9459	-0.7093	-0.0	C
1.2952	-0.7403	-0.0	C
2.6491	1.3682	-0.0	C
1.2952	0.7403	-0.0	C
3.946	0.7093	-0.0	C
2.9518	2.7339	-0.0	C
5.2801	2.7584	-0.0	C
4.1092	3.4336	-0.0	C
5.1813	1.4165	-0.0	C
-0.0065	-1.4918	-0.0	C
-1.2887	0.7515	0.0	C
-1.2887	-0.7515	0.0	C
-0.0065	1.4918	0.0	C
-2.5095	1.6101	0.0	C
-1.3587	3.7719	0.0	C
-2.5873	3.0626	0.0	C
-0.1396	2.9783	0.0	C
-1.3639	5.1954	0.0	C
0.919	5.2755	0.0	C
-0.2513	5.9519	0.0	C
0.8917	3.9232	0.0	C
-3.8435	1.1893	0.0	C
-5.0289	3.1936	0.0	C
-5.0282	1.8419	0.0	C
-3.8174	3.7789	0.0	C
-0.1396	-2.9783	-0.0	C
-2.5873	-3.0626	0.0	C
-1.3587	-3.7719	-0.0	C
-2.5095	-1.6101	0.0	C
0.8917	-3.9233	-0.0	C
-0.2513	-5.9519	-0.0	C
0.919	-5.2755	-0.0	C
-1.3639	-5.1954	-0.0	C
-3.8174	-3.7789	0.0	C
-5.0282	-1.8419	0.0	C
-5.0289	-3.1935	0.0	C
-3.8435	-1.1893	0.0	C

#hexabenzotriphenylene 20240420
model_objs_dict['hexabenzotriphenylene'] = scsd_model('hexabenzotriphenylene', array([['5.1813', '-1.4165', '-0.0', 'C'], ['5.2802', '-2.7584', '-0.0', 'C'], ['4.1092', '-3.4336', '-0.0', 'C'], ['2.9518', '-2.7339', '-0.0', 'C'], ['2.6491', '-1.3683', '-0.0', 'C'], ['3.9459', '-0.7093', '-0.0', 'C'], ['1.2952', '-0.7403', '-0.0', 'C'], ['2.6491', '1.3682', '-0.0', 'C'], ['1.2952', '0.7403', '-0.0', 'C'], ['3.946', '0.7093', '-0.0', 'C'], ['2.9518', '2.7339', '-0.0', 'C'], ['5.2801', '2.7584', '-0.0', 'C'], ['4.1092', '3.4336', '-0.0', 'C'], ['5.1813', '1.4165', '-0.0', 'C'], ['-0.0065', '-1.4918', '-0.0', 'C'], ['-1.2887', '0.7515', '0.0', 'C'], ['-1.2887', '-0.7515', '0.0', 'C'], ['-0.0065', '1.4918', '0.0', 'C'], ['-2.5095', '1.6101', '0.0', 'C'], ['-1.3587', '3.7719', '0.0', 'C'], ['-2.5873', '3.0626', '0.0', 'C'], ['-0.1396', '2.9783', '0.0', 'C'], ['-1.3639', '5.1954', '0.0', 'C'], ['0.919', '5.2755', '0.0', 'C'], ['-0.2513', '5.9519', '0.0', 'C'], ['0.8917', '3.9232', '0.0', 'C'], ['-3.8435', '1.1893', '0.0', 'C'], ['-5.0289', '3.1936', '0.0', 'C'], ['-5.0282', '1.8419', '0.0', 'C'], ['-3.8174', '3.7789', '0.0', 'C'], ['-0.1396', '-2.9783', '-0.0', 'C'], ['-2.5873', '-3.0626', '0.0', 'C'], ['-1.3587', '-3.7719', '-0.0', 'C'], ['-2.5095', '-1.6101', '0.0', 'C'], ['0.8917', '-3.9233', '-0.0', 'C'], ['-0.2513', '-5.9519', '-0.0', 'C'], ['0.919', '-5.2755', '-0.0', 'C'], ['-1.3639', '-5.1954', '-0.0', 'C'], ['-3.8174', '-3.7789', '0.0', 'C'], ['-5.0282', '-1.8419', '0.0', 'C'], ['-5.0289', '-3.1935', '0.0', 'C'], ['-3.8435', '-1.1893', '0.0', 'C']]), 'D3h' , maxdist = 1.6, mondrian_limits = [0.0, 0.0])