hexabenzocoronene scsd model output

SCSD model generated from precomputed using D_6h symmetry, available as hexabenzocoronene

x	y	z	at
1.1935	-4.9752	-0.0	C
0.0	-5.6589	-0.0	C
-1.1935	-4.9752	-0.0	C
-3.7119	-3.5212	0.0	C
-4.9007	-2.8294	0.0	C
-4.9054	-1.454	0.0	C
-4.9054	1.454	0.0	C
-4.9007	2.8294	0.0	C
-3.7119	3.5212	0.0	C
1.224	-3.5776	-0.0	C
-1.224	-3.5776	-0.0	C
-2.4863	-2.8488	0.0	C
-3.7103	-0.7288	0.0	C
-3.7103	0.7288	0.0	C
2.4863	-2.8488	-0.0	C
-0.0	-2.8635	-0.0	C
-2.4798	-1.4317	0.0	C
-2.4798	1.4317	0.0	C
0.0	-1.4171	-0.0	C
-1.2272	-0.7085	0.0	C
-1.2272	0.7085	0.0	C
-2.4863	2.8488	0.0	C
3.7119	-3.5212	-0.0	C
2.4798	-1.4317	-0.0	C
1.2272	-0.7085	-0.0	C
-0.0	1.4171	0.0	C
-1.224	3.5776	0.0	C
4.9007	-2.8294	-0.0	C
3.7103	-0.7288	-0.0	C
1.2272	0.7085	-0.0	C
0.0	2.8635	0.0	C
-1.1935	4.9752	0.0	C
4.9054	-1.454	-0.0	C
3.7103	0.7288	-0.0	C
2.4798	1.4317	-0.0	C
1.224	3.5776	0.0	C
-0.0	5.6589	0.0	C
4.9054	1.454	-0.0	C
2.4863	2.8488	-0.0	C
1.1935	4.9752	0.0	C
4.9007	2.8294	-0.0	C
3.7119	3.5212	-0.0	C

#hexabenzocoronene 20250523
model_objs_dict['hexabenzocoronene'] = scsd_model('hexabenzocoronene', array([['1.1935', '-4.9752', '-0.0', 'C'], ['0.0', '-5.6589', '-0.0', 'C'], ['-1.1935', '-4.9752', '-0.0', 'C'], ['-3.7119', '-3.5212', '0.0', 'C'], ['-4.9007', '-2.8294', '0.0', 'C'], ['-4.9054', '-1.454', '0.0', 'C'], ['-4.9054', '1.454', '0.0', 'C'], ['-4.9007', '2.8294', '0.0', 'C'], ['-3.7119', '3.5212', '0.0', 'C'], ['1.224', '-3.5776', '-0.0', 'C'], ['-1.224', '-3.5776', '-0.0', 'C'], ['-2.4863', '-2.8488', '0.0', 'C'], ['-3.7103', '-0.7288', '0.0', 'C'], ['-3.7103', '0.7288', '0.0', 'C'], ['2.4863', '-2.8488', '-0.0', 'C'], ['-0.0', '-2.8635', '-0.0', 'C'], ['-2.4798', '-1.4317', '0.0', 'C'], ['-2.4798', '1.4317', '0.0', 'C'], ['0.0', '-1.4171', '-0.0', 'C'], ['-1.2272', '-0.7085', '0.0', 'C'], ['-1.2272', '0.7085', '0.0', 'C'], ['-2.4863', '2.8488', '0.0', 'C'], ['3.7119', '-3.5212', '-0.0', 'C'], ['2.4798', '-1.4317', '-0.0', 'C'], ['1.2272', '-0.7085', '-0.0', 'C'], ['-0.0', '1.4171', '0.0', 'C'], ['-1.224', '3.5776', '0.0', 'C'], ['4.9007', '-2.8294', '-0.0', 'C'], ['3.7103', '-0.7288', '-0.0', 'C'], ['1.2272', '0.7085', '-0.0', 'C'], ['0.0', '2.8635', '0.0', 'C'], ['-1.1935', '4.9752', '0.0', 'C'], ['4.9054', '-1.454', '-0.0', 'C'], ['3.7103', '0.7288', '-0.0', 'C'], ['2.4798', '1.4317', '-0.0', 'C'], ['1.224', '3.5776', '0.0', 'C'], ['-0.0', '5.6589', '0.0', 'C'], ['4.9054', '1.454', '-0.0', 'C'], ['2.4863', '2.8488', '-0.0', 'C'], ['1.1935', '4.9752', '0.0', 'C'], ['4.9007', '2.8294', '-0.0', 'C'], ['3.7119', '3.5212', '-0.0', 'C']]), 'D6h' , maxdist = 1.75, mondrian_limits = [-1.0, -1.0])