CLA_s1 scsd model output - Dr. C. J. Kingsbury

SCSD model generated from precomputed using D_2h symmetry, available as CLA_s1
x	y	z	at
2.4275	-2.4651	-0.0	C
-2.4275	-2.4651	-0.0	C
-2.4275	2.4651	0.0	C
2.4275	2.4651	0.0	C
1.0646	-2.939	-0.0	C
-1.0646	-2.939	-0.0	C
-2.839	-1.0585	-0.0	C
-4.2374	-0.7264	-0.0	C
-4.2374	0.7264	-0.0	C
-2.839	1.0585	-0.0	C
-1.0646	2.939	0.0	C
1.0646	2.939	0.0	C
2.839	1.0585	0.0	C
4.2374	0.7264	0.0	C
4.2374	-0.7264	0.0	C
2.839	-1.0585	0.0	C
0.0	0.0	0.0	MG
0.0	-2.1436	-0.0	N
-1.9928	0.0	-0.0	N
0.0	2.1436	0.0	N
1.9928	0.0	0.0	N
#CLA_s1 20250425
model_objs_dict['CLA_s1'] = scsd_model('CLA_s1', array([['2.4275', '-2.4651', '-0.0', 'C'], ['-2.4275', '-2.4651', '-0.0', 'C'], ['-2.4275', '2.4651', '0.0', 'C'], ['2.4275', '2.4651', '0.0', 'C'], ['1.0646', '-2.939', '-0.0', 'C'], ['-1.0646', '-2.939', '-0.0', 'C'], ['-2.839', '-1.0585', '-0.0', 'C'], ['-4.2374', '-0.7264', '-0.0', 'C'], ['-4.2374', '0.7264', '-0.0', 'C'], ['-2.839', '1.0585', '-0.0', 'C'], ['-1.0646', '2.939', '0.0', 'C'], ['1.0646', '2.939', '0.0', 'C'], ['2.839', '1.0585', '0.0', 'C'], ['4.2374', '0.7264', '0.0', 'C'], ['4.2374', '-0.7264', '0.0', 'C'], ['2.839', '-1.0585', '0.0', 'C'], ['0.0', '0.0', '0.0', 'MG'], ['0.0', '-2.1436', '-0.0', 'N'], ['-1.9928', '0.0', '-0.0', 'N'], ['0.0', '2.1436', '0.0', 'N'], ['1.9928', '0.0', '0.0', 'N']]), 'D2h' , pca = {"Ag":array([[-0.00729, -0.01541, -0.0, 0.00729, -0.01541, -0.0, 0.00729, 0.01541, 0.0, -0.00729, 0.01541, 0.0, 0.0042, -0.04867, -0.0, -0.0042, -0.04867, -0.0, 0.0307, -0.042, -0.0, 0.0767, 0.00814, 0.0, 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