sulflower scsd model output - Dr. C. J. Kingsbury

SCSD model generated from precomputed using D_4h symmetry, available as sulflower

x	y	z	at
1.8537	-0.0	-0.0	C
1.3105	1.3105	-0.0	C
0.0	1.8537	0.0	C
1.3105	-1.3105	-0.0	C
3.2338	-0.0	-0.0	C
2.2866	2.2866	-0.0	C
0.0	3.2338	0.0	C
2.2866	-2.2866	-0.0	C
-1.8537	0.0	0.0	C
-1.3105	-1.3105	0.0	C
-0.0	-1.8537	-0.0	C
-1.3105	1.3105	0.0	C
-3.2338	0.0	0.0	C
-2.2866	-2.2866	0.0	C
-0.0	-3.2338	-0.0	C
-2.2866	2.2866	0.0	C
3.9038	1.6183	-0.0	S
1.6183	3.9038	0.0	S
-1.6183	3.9038	0.0	S
3.9038	-1.6183	-0.0	S
-3.9038	-1.6183	0.0	S
-1.6183	-3.9038	-0.0	S
1.6183	-3.9038	-0.0	S
-3.9038	1.6183	0.0	S

#sulflower 20251210
model_objs_dict['sulflower'] = scsd_model('sulflower', array([['1.8537', '-0.0', '-0.0', 'C'], ['1.3105', '1.3105', '-0.0', 'C'], ['0.0', '1.8537', '0.0', 'C'], ['1.3105', '-1.3105', '-0.0', 'C'], ['3.2338', '-0.0', '-0.0', 'C'], ['2.2866', '2.2866', '-0.0', 'C'], ['0.0', '3.2338', '0.0', 'C'], ['2.2866', '-2.2866', '-0.0', 'C'], ['-1.8537', '0.0', '0.0', 'C'], ['-1.3105', '-1.3105', '0.0', 'C'], ['-0.0', '-1.8537', '-0.0', 'C'], ['-1.3105', '1.3105', '0.0', 'C'], ['-3.2338', '0.0', '0.0', 'C'], ['-2.2866', '-2.2866', '0.0', 'C'], ['-0.0', '-3.2338', '-0.0', 'C'], ['-2.2866', '2.2866', '0.0', 'C'], ['3.9038', '1.6183', '-0.0', 'S'], ['1.6183', '3.9038', '0.0', 'S'], ['-1.6183', '3.9038', '0.0', 'S'], ['3.9038', '-1.6183', '-0.0', 'S'], ['-3.9038', '-1.6183', '0.0', 'S'], ['-1.6183', '-3.9038', '-0.0', 'S'], ['1.6183', '-3.9038', '-0.0', 'S'], ['-3.9038', '1.6183', '0.0', 'S']]), 'D4h' , maxdist = 1.9, mondrian_limits = [-1.0, -1.0])