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grogu/data/lat3_791/Fe3GeTe2.ORB_INDX

6827 lines
519 KiB
Raw Blame History

84 6804 = orbitals in unit cell and supercell. See end of file.
io ia is spec iao n l m z p sym rc isc iuo
1 1 3 Te 1 5 0 0 1 F s 6.195 0 0 0 1
2 1 3 Te 2 5 0 0 2 F s 4.205 0 0 0 2
3 1 3 Te 3 5 1 -1 1 F py 8.156 0 0 0 3
4 1 3 Te 4 5 1 0 1 F pz 8.156 0 0 0 4
5 1 3 Te 5 5 1 1 1 F px 8.156 0 0 0 5
6 1 3 Te 6 5 1 -1 2 F py 5.009 0 0 0 6
7 1 3 Te 7 5 1 0 2 F pz 5.009 0 0 0 7
8 1 3 Te 8 5 1 1 2 F px 5.009 0 0 0 8
9 1 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 0 0 9
10 1 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 0 0 10
11 1 3 Te 11 5 2 0 1 T Pdz2 8.156 0 0 0 11
12 1 3 Te 12 5 2 1 1 T Pdxz 8.156 0 0 0 12
13 1 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 0 0 13
14 2 3 Te 1 5 0 0 1 F s 6.195 0 0 0 14
15 2 3 Te 2 5 0 0 2 F s 4.205 0 0 0 15
16 2 3 Te 3 5 1 -1 1 F py 8.156 0 0 0 16
17 2 3 Te 4 5 1 0 1 F pz 8.156 0 0 0 17
18 2 3 Te 5 5 1 1 1 F px 8.156 0 0 0 18
19 2 3 Te 6 5 1 -1 2 F py 5.009 0 0 0 19
20 2 3 Te 7 5 1 0 2 F pz 5.009 0 0 0 20
21 2 3 Te 8 5 1 1 2 F px 5.009 0 0 0 21
22 2 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 0 0 22
23 2 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 0 0 23
24 2 3 Te 11 5 2 0 1 T Pdz2 8.156 0 0 0 24
25 2 3 Te 12 5 2 1 1 T Pdxz 8.156 0 0 0 25
26 2 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 0 0 26
27 3 2 Ge 1 4 0 0 1 F s 6.581 0 0 0 27
28 3 2 Ge 2 4 0 0 2 F s 4.412 0 0 0 28
29 3 2 Ge 3 4 1 -1 1 F py 9.340 0 0 0 29
30 3 2 Ge 4 4 1 0 1 F pz 9.340 0 0 0 30
31 3 2 Ge 5 4 1 1 1 F px 9.340 0 0 0 31
32 3 2 Ge 6 4 1 -1 2 F py 5.665 0 0 0 32
33 3 2 Ge 7 4 1 0 2 F pz 5.665 0 0 0 33
34 3 2 Ge 8 4 1 1 2 F px 5.665 0 0 0 34
35 3 2 Ge 9 4 2 -2 1 T Pdxy 9.340 0 0 0 35
36 3 2 Ge 10 4 2 -1 1 T Pdyz 9.340 0 0 0 36
37 3 2 Ge 11 4 2 0 1 T Pdz2 9.340 0 0 0 37
38 3 2 Ge 12 4 2 1 1 T Pdxz 9.340 0 0 0 38
39 3 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 0 0 0 39
40 4 1 Fe 1 4 0 0 1 F s 9.649 0 0 0 40
41 4 1 Fe 2 4 0 0 2 F s 6.885 0 0 0 41
42 4 1 Fe 3 3 2 -2 1 F dxy 6.632 0 0 0 42
43 4 1 Fe 4 3 2 -1 1 F dyz 6.632 0 0 0 43
44 4 1 Fe 5 3 2 0 1 F dz2 6.632 0 0 0 44
45 4 1 Fe 6 3 2 1 1 F dxz 6.632 0 0 0 45
46 4 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 0 0 46
47 4 1 Fe 8 3 2 -2 2 F dxy 2.565 0 0 0 47
48 4 1 Fe 9 3 2 -1 2 F dyz 2.565 0 0 0 48
49 4 1 Fe 10 3 2 0 2 F dz2 2.565 0 0 0 49
50 4 1 Fe 11 3 2 1 2 F dxz 2.565 0 0 0 50
51 4 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 0 0 51
52 4 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 0 0 52
53 4 1 Fe 14 4 1 0 1 T Ppz 9.649 0 0 0 53
54 4 1 Fe 15 4 1 1 1 T Ppx 9.649 0 0 0 54
55 5 1 Fe 1 4 0 0 1 F s 9.649 0 0 0 55
56 5 1 Fe 2 4 0 0 2 F s 6.885 0 0 0 56
57 5 1 Fe 3 3 2 -2 1 F dxy 6.632 0 0 0 57
58 5 1 Fe 4 3 2 -1 1 F dyz 6.632 0 0 0 58
59 5 1 Fe 5 3 2 0 1 F dz2 6.632 0 0 0 59
60 5 1 Fe 6 3 2 1 1 F dxz 6.632 0 0 0 60
61 5 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 0 0 61
62 5 1 Fe 8 3 2 -2 2 F dxy 2.565 0 0 0 62
63 5 1 Fe 9 3 2 -1 2 F dyz 2.565 0 0 0 63
64 5 1 Fe 10 3 2 0 2 F dz2 2.565 0 0 0 64
65 5 1 Fe 11 3 2 1 2 F dxz 2.565 0 0 0 65
66 5 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 0 0 66
67 5 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 0 0 67
68 5 1 Fe 14 4 1 0 1 T Ppz 9.649 0 0 0 68
69 5 1 Fe 15 4 1 1 1 T Ppx 9.649 0 0 0 69
70 6 1 Fe 1 4 0 0 1 F s 9.649 0 0 0 70
71 6 1 Fe 2 4 0 0 2 F s 6.885 0 0 0 71
72 6 1 Fe 3 3 2 -2 1 F dxy 6.632 0 0 0 72
73 6 1 Fe 4 3 2 -1 1 F dyz 6.632 0 0 0 73
74 6 1 Fe 5 3 2 0 1 F dz2 6.632 0 0 0 74
75 6 1 Fe 6 3 2 1 1 F dxz 6.632 0 0 0 75
76 6 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 0 0 76
77 6 1 Fe 8 3 2 -2 2 F dxy 2.565 0 0 0 77
78 6 1 Fe 9 3 2 -1 2 F dyz 2.565 0 0 0 78
79 6 1 Fe 10 3 2 0 2 F dz2 2.565 0 0 0 79
80 6 1 Fe 11 3 2 1 2 F dxz 2.565 0 0 0 80
81 6 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 0 0 81
82 6 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 0 0 82
83 6 1 Fe 14 4 1 0 1 T Ppz 9.649 0 0 0 83
84 6 1 Fe 15 4 1 1 1 T Ppx 9.649 0 0 0 84
85 7 3 Te 1 5 0 0 1 F s 6.195 1 0 0 1
86 7 3 Te 2 5 0 0 2 F s 4.205 1 0 0 2
87 7 3 Te 3 5 1 -1 1 F py 8.156 1 0 0 3
88 7 3 Te 4 5 1 0 1 F pz 8.156 1 0 0 4
89 7 3 Te 5 5 1 1 1 F px 8.156 1 0 0 5
90 7 3 Te 6 5 1 -1 2 F py 5.009 1 0 0 6
91 7 3 Te 7 5 1 0 2 F pz 5.009 1 0 0 7
92 7 3 Te 8 5 1 1 2 F px 5.009 1 0 0 8
93 7 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 0 0 9
94 7 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 0 0 10
95 7 3 Te 11 5 2 0 1 T Pdz2 8.156 1 0 0 11
96 7 3 Te 12 5 2 1 1 T Pdxz 8.156 1 0 0 12
97 7 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 0 0 13
98 8 3 Te 1 5 0 0 1 F s 6.195 1 0 0 14
99 8 3 Te 2 5 0 0 2 F s 4.205 1 0 0 15
100 8 3 Te 3 5 1 -1 1 F py 8.156 1 0 0 16
101 8 3 Te 4 5 1 0 1 F pz 8.156 1 0 0 17
102 8 3 Te 5 5 1 1 1 F px 8.156 1 0 0 18
103 8 3 Te 6 5 1 -1 2 F py 5.009 1 0 0 19
104 8 3 Te 7 5 1 0 2 F pz 5.009 1 0 0 20
105 8 3 Te 8 5 1 1 2 F px 5.009 1 0 0 21
106 8 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 0 0 22
107 8 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 0 0 23
108 8 3 Te 11 5 2 0 1 T Pdz2 8.156 1 0 0 24
109 8 3 Te 12 5 2 1 1 T Pdxz 8.156 1 0 0 25
110 8 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 0 0 26
111 9 2 Ge 1 4 0 0 1 F s 6.581 1 0 0 27
112 9 2 Ge 2 4 0 0 2 F s 4.412 1 0 0 28
113 9 2 Ge 3 4 1 -1 1 F py 9.340 1 0 0 29
114 9 2 Ge 4 4 1 0 1 F pz 9.340 1 0 0 30
115 9 2 Ge 5 4 1 1 1 F px 9.340 1 0 0 31
116 9 2 Ge 6 4 1 -1 2 F py 5.665 1 0 0 32
117 9 2 Ge 7 4 1 0 2 F pz 5.665 1 0 0 33
118 9 2 Ge 8 4 1 1 2 F px 5.665 1 0 0 34
119 9 2 Ge 9 4 2 -2 1 T Pdxy 9.340 1 0 0 35
120 9 2 Ge 10 4 2 -1 1 T Pdyz 9.340 1 0 0 36
121 9 2 Ge 11 4 2 0 1 T Pdz2 9.340 1 0 0 37
122 9 2 Ge 12 4 2 1 1 T Pdxz 9.340 1 0 0 38
123 9 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 1 0 0 39
124 10 1 Fe 1 4 0 0 1 F s 9.649 1 0 0 40
125 10 1 Fe 2 4 0 0 2 F s 6.885 1 0 0 41
126 10 1 Fe 3 3 2 -2 1 F dxy 6.632 1 0 0 42
127 10 1 Fe 4 3 2 -1 1 F dyz 6.632 1 0 0 43
128 10 1 Fe 5 3 2 0 1 F dz2 6.632 1 0 0 44
129 10 1 Fe 6 3 2 1 1 F dxz 6.632 1 0 0 45
130 10 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 0 0 46
131 10 1 Fe 8 3 2 -2 2 F dxy 2.565 1 0 0 47
132 10 1 Fe 9 3 2 -1 2 F dyz 2.565 1 0 0 48
133 10 1 Fe 10 3 2 0 2 F dz2 2.565 1 0 0 49
134 10 1 Fe 11 3 2 1 2 F dxz 2.565 1 0 0 50
135 10 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 0 0 51
136 10 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 0 0 52
137 10 1 Fe 14 4 1 0 1 T Ppz 9.649 1 0 0 53
138 10 1 Fe 15 4 1 1 1 T Ppx 9.649 1 0 0 54
139 11 1 Fe 1 4 0 0 1 F s 9.649 1 0 0 55
140 11 1 Fe 2 4 0 0 2 F s 6.885 1 0 0 56
141 11 1 Fe 3 3 2 -2 1 F dxy 6.632 1 0 0 57
142 11 1 Fe 4 3 2 -1 1 F dyz 6.632 1 0 0 58
143 11 1 Fe 5 3 2 0 1 F dz2 6.632 1 0 0 59
144 11 1 Fe 6 3 2 1 1 F dxz 6.632 1 0 0 60
145 11 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 0 0 61
146 11 1 Fe 8 3 2 -2 2 F dxy 2.565 1 0 0 62
147 11 1 Fe 9 3 2 -1 2 F dyz 2.565 1 0 0 63
148 11 1 Fe 10 3 2 0 2 F dz2 2.565 1 0 0 64
149 11 1 Fe 11 3 2 1 2 F dxz 2.565 1 0 0 65
150 11 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 0 0 66
151 11 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 0 0 67
152 11 1 Fe 14 4 1 0 1 T Ppz 9.649 1 0 0 68
153 11 1 Fe 15 4 1 1 1 T Ppx 9.649 1 0 0 69
154 12 1 Fe 1 4 0 0 1 F s 9.649 1 0 0 70
155 12 1 Fe 2 4 0 0 2 F s 6.885 1 0 0 71
156 12 1 Fe 3 3 2 -2 1 F dxy 6.632 1 0 0 72
157 12 1 Fe 4 3 2 -1 1 F dyz 6.632 1 0 0 73
158 12 1 Fe 5 3 2 0 1 F dz2 6.632 1 0 0 74
159 12 1 Fe 6 3 2 1 1 F dxz 6.632 1 0 0 75
160 12 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 0 0 76
161 12 1 Fe 8 3 2 -2 2 F dxy 2.565 1 0 0 77
162 12 1 Fe 9 3 2 -1 2 F dyz 2.565 1 0 0 78
163 12 1 Fe 10 3 2 0 2 F dz2 2.565 1 0 0 79
164 12 1 Fe 11 3 2 1 2 F dxz 2.565 1 0 0 80
165 12 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 0 0 81
166 12 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 0 0 82
167 12 1 Fe 14 4 1 0 1 T Ppz 9.649 1 0 0 83
168 12 1 Fe 15 4 1 1 1 T Ppx 9.649 1 0 0 84
169 13 3 Te 1 5 0 0 1 F s 6.195 2 0 0 1
170 13 3 Te 2 5 0 0 2 F s 4.205 2 0 0 2
171 13 3 Te 3 5 1 -1 1 F py 8.156 2 0 0 3
172 13 3 Te 4 5 1 0 1 F pz 8.156 2 0 0 4
173 13 3 Te 5 5 1 1 1 F px 8.156 2 0 0 5
174 13 3 Te 6 5 1 -1 2 F py 5.009 2 0 0 6
175 13 3 Te 7 5 1 0 2 F pz 5.009 2 0 0 7
176 13 3 Te 8 5 1 1 2 F px 5.009 2 0 0 8
177 13 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 0 0 9
178 13 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 0 0 10
179 13 3 Te 11 5 2 0 1 T Pdz2 8.156 2 0 0 11
180 13 3 Te 12 5 2 1 1 T Pdxz 8.156 2 0 0 12
181 13 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 0 0 13
182 14 3 Te 1 5 0 0 1 F s 6.195 2 0 0 14
183 14 3 Te 2 5 0 0 2 F s 4.205 2 0 0 15
184 14 3 Te 3 5 1 -1 1 F py 8.156 2 0 0 16
185 14 3 Te 4 5 1 0 1 F pz 8.156 2 0 0 17
186 14 3 Te 5 5 1 1 1 F px 8.156 2 0 0 18
187 14 3 Te 6 5 1 -1 2 F py 5.009 2 0 0 19
188 14 3 Te 7 5 1 0 2 F pz 5.009 2 0 0 20
189 14 3 Te 8 5 1 1 2 F px 5.009 2 0 0 21
190 14 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 0 0 22
191 14 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 0 0 23
192 14 3 Te 11 5 2 0 1 T Pdz2 8.156 2 0 0 24
193 14 3 Te 12 5 2 1 1 T Pdxz 8.156 2 0 0 25
194 14 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 0 0 26
195 15 2 Ge 1 4 0 0 1 F s 6.581 2 0 0 27
196 15 2 Ge 2 4 0 0 2 F s 4.412 2 0 0 28
197 15 2 Ge 3 4 1 -1 1 F py 9.340 2 0 0 29
198 15 2 Ge 4 4 1 0 1 F pz 9.340 2 0 0 30
199 15 2 Ge 5 4 1 1 1 F px 9.340 2 0 0 31
200 15 2 Ge 6 4 1 -1 2 F py 5.665 2 0 0 32
201 15 2 Ge 7 4 1 0 2 F pz 5.665 2 0 0 33
202 15 2 Ge 8 4 1 1 2 F px 5.665 2 0 0 34
203 15 2 Ge 9 4 2 -2 1 T Pdxy 9.340 2 0 0 35
204 15 2 Ge 10 4 2 -1 1 T Pdyz 9.340 2 0 0 36
205 15 2 Ge 11 4 2 0 1 T Pdz2 9.340 2 0 0 37
206 15 2 Ge 12 4 2 1 1 T Pdxz 9.340 2 0 0 38
207 15 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 2 0 0 39
208 16 1 Fe 1 4 0 0 1 F s 9.649 2 0 0 40
209 16 1 Fe 2 4 0 0 2 F s 6.885 2 0 0 41
210 16 1 Fe 3 3 2 -2 1 F dxy 6.632 2 0 0 42
211 16 1 Fe 4 3 2 -1 1 F dyz 6.632 2 0 0 43
212 16 1 Fe 5 3 2 0 1 F dz2 6.632 2 0 0 44
213 16 1 Fe 6 3 2 1 1 F dxz 6.632 2 0 0 45
214 16 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 0 0 46
215 16 1 Fe 8 3 2 -2 2 F dxy 2.565 2 0 0 47
216 16 1 Fe 9 3 2 -1 2 F dyz 2.565 2 0 0 48
217 16 1 Fe 10 3 2 0 2 F dz2 2.565 2 0 0 49
218 16 1 Fe 11 3 2 1 2 F dxz 2.565 2 0 0 50
219 16 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 0 0 51
220 16 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 0 0 52
221 16 1 Fe 14 4 1 0 1 T Ppz 9.649 2 0 0 53
222 16 1 Fe 15 4 1 1 1 T Ppx 9.649 2 0 0 54
223 17 1 Fe 1 4 0 0 1 F s 9.649 2 0 0 55
224 17 1 Fe 2 4 0 0 2 F s 6.885 2 0 0 56
225 17 1 Fe 3 3 2 -2 1 F dxy 6.632 2 0 0 57
226 17 1 Fe 4 3 2 -1 1 F dyz 6.632 2 0 0 58
227 17 1 Fe 5 3 2 0 1 F dz2 6.632 2 0 0 59
228 17 1 Fe 6 3 2 1 1 F dxz 6.632 2 0 0 60
229 17 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 0 0 61
230 17 1 Fe 8 3 2 -2 2 F dxy 2.565 2 0 0 62
231 17 1 Fe 9 3 2 -1 2 F dyz 2.565 2 0 0 63
232 17 1 Fe 10 3 2 0 2 F dz2 2.565 2 0 0 64
233 17 1 Fe 11 3 2 1 2 F dxz 2.565 2 0 0 65
234 17 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 0 0 66
235 17 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 0 0 67
236 17 1 Fe 14 4 1 0 1 T Ppz 9.649 2 0 0 68
237 17 1 Fe 15 4 1 1 1 T Ppx 9.649 2 0 0 69
238 18 1 Fe 1 4 0 0 1 F s 9.649 2 0 0 70
239 18 1 Fe 2 4 0 0 2 F s 6.885 2 0 0 71
240 18 1 Fe 3 3 2 -2 1 F dxy 6.632 2 0 0 72
241 18 1 Fe 4 3 2 -1 1 F dyz 6.632 2 0 0 73
242 18 1 Fe 5 3 2 0 1 F dz2 6.632 2 0 0 74
243 18 1 Fe 6 3 2 1 1 F dxz 6.632 2 0 0 75
244 18 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 0 0 76
245 18 1 Fe 8 3 2 -2 2 F dxy 2.565 2 0 0 77
246 18 1 Fe 9 3 2 -1 2 F dyz 2.565 2 0 0 78
247 18 1 Fe 10 3 2 0 2 F dz2 2.565 2 0 0 79
248 18 1 Fe 11 3 2 1 2 F dxz 2.565 2 0 0 80
249 18 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 0 0 81
250 18 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 0 0 82
251 18 1 Fe 14 4 1 0 1 T Ppz 9.649 2 0 0 83
252 18 1 Fe 15 4 1 1 1 T Ppx 9.649 2 0 0 84
253 19 3 Te 1 5 0 0 1 F s 6.195 3 0 0 1
254 19 3 Te 2 5 0 0 2 F s 4.205 3 0 0 2
255 19 3 Te 3 5 1 -1 1 F py 8.156 3 0 0 3
256 19 3 Te 4 5 1 0 1 F pz 8.156 3 0 0 4
257 19 3 Te 5 5 1 1 1 F px 8.156 3 0 0 5
258 19 3 Te 6 5 1 -1 2 F py 5.009 3 0 0 6
259 19 3 Te 7 5 1 0 2 F pz 5.009 3 0 0 7
260 19 3 Te 8 5 1 1 2 F px 5.009 3 0 0 8
261 19 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 0 0 9
262 19 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 0 0 10
263 19 3 Te 11 5 2 0 1 T Pdz2 8.156 3 0 0 11
264 19 3 Te 12 5 2 1 1 T Pdxz 8.156 3 0 0 12
265 19 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 0 0 13
266 20 3 Te 1 5 0 0 1 F s 6.195 3 0 0 14
267 20 3 Te 2 5 0 0 2 F s 4.205 3 0 0 15
268 20 3 Te 3 5 1 -1 1 F py 8.156 3 0 0 16
269 20 3 Te 4 5 1 0 1 F pz 8.156 3 0 0 17
270 20 3 Te 5 5 1 1 1 F px 8.156 3 0 0 18
271 20 3 Te 6 5 1 -1 2 F py 5.009 3 0 0 19
272 20 3 Te 7 5 1 0 2 F pz 5.009 3 0 0 20
273 20 3 Te 8 5 1 1 2 F px 5.009 3 0 0 21
274 20 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 0 0 22
275 20 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 0 0 23
276 20 3 Te 11 5 2 0 1 T Pdz2 8.156 3 0 0 24
277 20 3 Te 12 5 2 1 1 T Pdxz 8.156 3 0 0 25
278 20 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 0 0 26
279 21 2 Ge 1 4 0 0 1 F s 6.581 3 0 0 27
280 21 2 Ge 2 4 0 0 2 F s 4.412 3 0 0 28
281 21 2 Ge 3 4 1 -1 1 F py 9.340 3 0 0 29
282 21 2 Ge 4 4 1 0 1 F pz 9.340 3 0 0 30
283 21 2 Ge 5 4 1 1 1 F px 9.340 3 0 0 31
284 21 2 Ge 6 4 1 -1 2 F py 5.665 3 0 0 32
285 21 2 Ge 7 4 1 0 2 F pz 5.665 3 0 0 33
286 21 2 Ge 8 4 1 1 2 F px 5.665 3 0 0 34
287 21 2 Ge 9 4 2 -2 1 T Pdxy 9.340 3 0 0 35
288 21 2 Ge 10 4 2 -1 1 T Pdyz 9.340 3 0 0 36
289 21 2 Ge 11 4 2 0 1 T Pdz2 9.340 3 0 0 37
290 21 2 Ge 12 4 2 1 1 T Pdxz 9.340 3 0 0 38
291 21 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 3 0 0 39
292 22 1 Fe 1 4 0 0 1 F s 9.649 3 0 0 40
293 22 1 Fe 2 4 0 0 2 F s 6.885 3 0 0 41
294 22 1 Fe 3 3 2 -2 1 F dxy 6.632 3 0 0 42
295 22 1 Fe 4 3 2 -1 1 F dyz 6.632 3 0 0 43
296 22 1 Fe 5 3 2 0 1 F dz2 6.632 3 0 0 44
297 22 1 Fe 6 3 2 1 1 F dxz 6.632 3 0 0 45
298 22 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 0 0 46
299 22 1 Fe 8 3 2 -2 2 F dxy 2.565 3 0 0 47
300 22 1 Fe 9 3 2 -1 2 F dyz 2.565 3 0 0 48
301 22 1 Fe 10 3 2 0 2 F dz2 2.565 3 0 0 49
302 22 1 Fe 11 3 2 1 2 F dxz 2.565 3 0 0 50
303 22 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 0 0 51
304 22 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 0 0 52
305 22 1 Fe 14 4 1 0 1 T Ppz 9.649 3 0 0 53
306 22 1 Fe 15 4 1 1 1 T Ppx 9.649 3 0 0 54
307 23 1 Fe 1 4 0 0 1 F s 9.649 3 0 0 55
308 23 1 Fe 2 4 0 0 2 F s 6.885 3 0 0 56
309 23 1 Fe 3 3 2 -2 1 F dxy 6.632 3 0 0 57
310 23 1 Fe 4 3 2 -1 1 F dyz 6.632 3 0 0 58
311 23 1 Fe 5 3 2 0 1 F dz2 6.632 3 0 0 59
312 23 1 Fe 6 3 2 1 1 F dxz 6.632 3 0 0 60
313 23 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 0 0 61
314 23 1 Fe 8 3 2 -2 2 F dxy 2.565 3 0 0 62
315 23 1 Fe 9 3 2 -1 2 F dyz 2.565 3 0 0 63
316 23 1 Fe 10 3 2 0 2 F dz2 2.565 3 0 0 64
317 23 1 Fe 11 3 2 1 2 F dxz 2.565 3 0 0 65
318 23 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 0 0 66
319 23 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 0 0 67
320 23 1 Fe 14 4 1 0 1 T Ppz 9.649 3 0 0 68
321 23 1 Fe 15 4 1 1 1 T Ppx 9.649 3 0 0 69
322 24 1 Fe 1 4 0 0 1 F s 9.649 3 0 0 70
323 24 1 Fe 2 4 0 0 2 F s 6.885 3 0 0 71
324 24 1 Fe 3 3 2 -2 1 F dxy 6.632 3 0 0 72
325 24 1 Fe 4 3 2 -1 1 F dyz 6.632 3 0 0 73
326 24 1 Fe 5 3 2 0 1 F dz2 6.632 3 0 0 74
327 24 1 Fe 6 3 2 1 1 F dxz 6.632 3 0 0 75
328 24 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 0 0 76
329 24 1 Fe 8 3 2 -2 2 F dxy 2.565 3 0 0 77
330 24 1 Fe 9 3 2 -1 2 F dyz 2.565 3 0 0 78
331 24 1 Fe 10 3 2 0 2 F dz2 2.565 3 0 0 79
332 24 1 Fe 11 3 2 1 2 F dxz 2.565 3 0 0 80
333 24 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 0 0 81
334 24 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 0 0 82
335 24 1 Fe 14 4 1 0 1 T Ppz 9.649 3 0 0 83
336 24 1 Fe 15 4 1 1 1 T Ppx 9.649 3 0 0 84
337 25 3 Te 1 5 0 0 1 F s 6.195 4 0 0 1
338 25 3 Te 2 5 0 0 2 F s 4.205 4 0 0 2
339 25 3 Te 3 5 1 -1 1 F py 8.156 4 0 0 3
340 25 3 Te 4 5 1 0 1 F pz 8.156 4 0 0 4
341 25 3 Te 5 5 1 1 1 F px 8.156 4 0 0 5
342 25 3 Te 6 5 1 -1 2 F py 5.009 4 0 0 6
343 25 3 Te 7 5 1 0 2 F pz 5.009 4 0 0 7
344 25 3 Te 8 5 1 1 2 F px 5.009 4 0 0 8
345 25 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 0 0 9
346 25 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 0 0 10
347 25 3 Te 11 5 2 0 1 T Pdz2 8.156 4 0 0 11
348 25 3 Te 12 5 2 1 1 T Pdxz 8.156 4 0 0 12
349 25 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 0 0 13
350 26 3 Te 1 5 0 0 1 F s 6.195 4 0 0 14
351 26 3 Te 2 5 0 0 2 F s 4.205 4 0 0 15
352 26 3 Te 3 5 1 -1 1 F py 8.156 4 0 0 16
353 26 3 Te 4 5 1 0 1 F pz 8.156 4 0 0 17
354 26 3 Te 5 5 1 1 1 F px 8.156 4 0 0 18
355 26 3 Te 6 5 1 -1 2 F py 5.009 4 0 0 19
356 26 3 Te 7 5 1 0 2 F pz 5.009 4 0 0 20
357 26 3 Te 8 5 1 1 2 F px 5.009 4 0 0 21
358 26 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 0 0 22
359 26 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 0 0 23
360 26 3 Te 11 5 2 0 1 T Pdz2 8.156 4 0 0 24
361 26 3 Te 12 5 2 1 1 T Pdxz 8.156 4 0 0 25
362 26 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 0 0 26
363 27 2 Ge 1 4 0 0 1 F s 6.581 4 0 0 27
364 27 2 Ge 2 4 0 0 2 F s 4.412 4 0 0 28
365 27 2 Ge 3 4 1 -1 1 F py 9.340 4 0 0 29
366 27 2 Ge 4 4 1 0 1 F pz 9.340 4 0 0 30
367 27 2 Ge 5 4 1 1 1 F px 9.340 4 0 0 31
368 27 2 Ge 6 4 1 -1 2 F py 5.665 4 0 0 32
369 27 2 Ge 7 4 1 0 2 F pz 5.665 4 0 0 33
370 27 2 Ge 8 4 1 1 2 F px 5.665 4 0 0 34
371 27 2 Ge 9 4 2 -2 1 T Pdxy 9.340 4 0 0 35
372 27 2 Ge 10 4 2 -1 1 T Pdyz 9.340 4 0 0 36
373 27 2 Ge 11 4 2 0 1 T Pdz2 9.340 4 0 0 37
374 27 2 Ge 12 4 2 1 1 T Pdxz 9.340 4 0 0 38
375 27 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 4 0 0 39
376 28 1 Fe 1 4 0 0 1 F s 9.649 4 0 0 40
377 28 1 Fe 2 4 0 0 2 F s 6.885 4 0 0 41
378 28 1 Fe 3 3 2 -2 1 F dxy 6.632 4 0 0 42
379 28 1 Fe 4 3 2 -1 1 F dyz 6.632 4 0 0 43
380 28 1 Fe 5 3 2 0 1 F dz2 6.632 4 0 0 44
381 28 1 Fe 6 3 2 1 1 F dxz 6.632 4 0 0 45
382 28 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 0 0 46
383 28 1 Fe 8 3 2 -2 2 F dxy 2.565 4 0 0 47
384 28 1 Fe 9 3 2 -1 2 F dyz 2.565 4 0 0 48
385 28 1 Fe 10 3 2 0 2 F dz2 2.565 4 0 0 49
386 28 1 Fe 11 3 2 1 2 F dxz 2.565 4 0 0 50
387 28 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 0 0 51
388 28 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 0 0 52
389 28 1 Fe 14 4 1 0 1 T Ppz 9.649 4 0 0 53
390 28 1 Fe 15 4 1 1 1 T Ppx 9.649 4 0 0 54
391 29 1 Fe 1 4 0 0 1 F s 9.649 4 0 0 55
392 29 1 Fe 2 4 0 0 2 F s 6.885 4 0 0 56
393 29 1 Fe 3 3 2 -2 1 F dxy 6.632 4 0 0 57
394 29 1 Fe 4 3 2 -1 1 F dyz 6.632 4 0 0 58
395 29 1 Fe 5 3 2 0 1 F dz2 6.632 4 0 0 59
396 29 1 Fe 6 3 2 1 1 F dxz 6.632 4 0 0 60
397 29 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 0 0 61
398 29 1 Fe 8 3 2 -2 2 F dxy 2.565 4 0 0 62
399 29 1 Fe 9 3 2 -1 2 F dyz 2.565 4 0 0 63
400 29 1 Fe 10 3 2 0 2 F dz2 2.565 4 0 0 64
401 29 1 Fe 11 3 2 1 2 F dxz 2.565 4 0 0 65
402 29 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 0 0 66
403 29 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 0 0 67
404 29 1 Fe 14 4 1 0 1 T Ppz 9.649 4 0 0 68
405 29 1 Fe 15 4 1 1 1 T Ppx 9.649 4 0 0 69
406 30 1 Fe 1 4 0 0 1 F s 9.649 4 0 0 70
407 30 1 Fe 2 4 0 0 2 F s 6.885 4 0 0 71
408 30 1 Fe 3 3 2 -2 1 F dxy 6.632 4 0 0 72
409 30 1 Fe 4 3 2 -1 1 F dyz 6.632 4 0 0 73
410 30 1 Fe 5 3 2 0 1 F dz2 6.632 4 0 0 74
411 30 1 Fe 6 3 2 1 1 F dxz 6.632 4 0 0 75
412 30 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 0 0 76
413 30 1 Fe 8 3 2 -2 2 F dxy 2.565 4 0 0 77
414 30 1 Fe 9 3 2 -1 2 F dyz 2.565 4 0 0 78
415 30 1 Fe 10 3 2 0 2 F dz2 2.565 4 0 0 79
416 30 1 Fe 11 3 2 1 2 F dxz 2.565 4 0 0 80
417 30 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 0 0 81
418 30 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 0 0 82
419 30 1 Fe 14 4 1 0 1 T Ppz 9.649 4 0 0 83
420 30 1 Fe 15 4 1 1 1 T Ppx 9.649 4 0 0 84
421 31 3 Te 1 5 0 0 1 F s 6.195 -4 0 0 1
422 31 3 Te 2 5 0 0 2 F s 4.205 -4 0 0 2
423 31 3 Te 3 5 1 -1 1 F py 8.156 -4 0 0 3
424 31 3 Te 4 5 1 0 1 F pz 8.156 -4 0 0 4
425 31 3 Te 5 5 1 1 1 F px 8.156 -4 0 0 5
426 31 3 Te 6 5 1 -1 2 F py 5.009 -4 0 0 6
427 31 3 Te 7 5 1 0 2 F pz 5.009 -4 0 0 7
428 31 3 Te 8 5 1 1 2 F px 5.009 -4 0 0 8
429 31 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 0 0 9
430 31 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 0 0 10
431 31 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 0 0 11
432 31 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 0 0 12
433 31 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 0 0 13
434 32 3 Te 1 5 0 0 1 F s 6.195 -4 0 0 14
435 32 3 Te 2 5 0 0 2 F s 4.205 -4 0 0 15
436 32 3 Te 3 5 1 -1 1 F py 8.156 -4 0 0 16
437 32 3 Te 4 5 1 0 1 F pz 8.156 -4 0 0 17
438 32 3 Te 5 5 1 1 1 F px 8.156 -4 0 0 18
439 32 3 Te 6 5 1 -1 2 F py 5.009 -4 0 0 19
440 32 3 Te 7 5 1 0 2 F pz 5.009 -4 0 0 20
441 32 3 Te 8 5 1 1 2 F px 5.009 -4 0 0 21
442 32 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 0 0 22
443 32 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 0 0 23
444 32 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 0 0 24
445 32 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 0 0 25
446 32 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 0 0 26
447 33 2 Ge 1 4 0 0 1 F s 6.581 -4 0 0 27
448 33 2 Ge 2 4 0 0 2 F s 4.412 -4 0 0 28
449 33 2 Ge 3 4 1 -1 1 F py 9.340 -4 0 0 29
450 33 2 Ge 4 4 1 0 1 F pz 9.340 -4 0 0 30
451 33 2 Ge 5 4 1 1 1 F px 9.340 -4 0 0 31
452 33 2 Ge 6 4 1 -1 2 F py 5.665 -4 0 0 32
453 33 2 Ge 7 4 1 0 2 F pz 5.665 -4 0 0 33
454 33 2 Ge 8 4 1 1 2 F px 5.665 -4 0 0 34
455 33 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -4 0 0 35
456 33 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -4 0 0 36
457 33 2 Ge 11 4 2 0 1 T Pdz2 9.340 -4 0 0 37
458 33 2 Ge 12 4 2 1 1 T Pdxz 9.340 -4 0 0 38
459 33 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -4 0 0 39
460 34 1 Fe 1 4 0 0 1 F s 9.649 -4 0 0 40
461 34 1 Fe 2 4 0 0 2 F s 6.885 -4 0 0 41
462 34 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 0 0 42
463 34 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 0 0 43
464 34 1 Fe 5 3 2 0 1 F dz2 6.632 -4 0 0 44
465 34 1 Fe 6 3 2 1 1 F dxz 6.632 -4 0 0 45
466 34 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 0 0 46
467 34 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 0 0 47
468 34 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 0 0 48
469 34 1 Fe 10 3 2 0 2 F dz2 2.565 -4 0 0 49
470 34 1 Fe 11 3 2 1 2 F dxz 2.565 -4 0 0 50
471 34 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 0 0 51
472 34 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 0 0 52
473 34 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 0 0 53
474 34 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 0 0 54
475 35 1 Fe 1 4 0 0 1 F s 9.649 -4 0 0 55
476 35 1 Fe 2 4 0 0 2 F s 6.885 -4 0 0 56
477 35 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 0 0 57
478 35 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 0 0 58
479 35 1 Fe 5 3 2 0 1 F dz2 6.632 -4 0 0 59
480 35 1 Fe 6 3 2 1 1 F dxz 6.632 -4 0 0 60
481 35 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 0 0 61
482 35 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 0 0 62
483 35 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 0 0 63
484 35 1 Fe 10 3 2 0 2 F dz2 2.565 -4 0 0 64
485 35 1 Fe 11 3 2 1 2 F dxz 2.565 -4 0 0 65
486 35 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 0 0 66
487 35 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 0 0 67
488 35 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 0 0 68
489 35 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 0 0 69
490 36 1 Fe 1 4 0 0 1 F s 9.649 -4 0 0 70
491 36 1 Fe 2 4 0 0 2 F s 6.885 -4 0 0 71
492 36 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 0 0 72
493 36 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 0 0 73
494 36 1 Fe 5 3 2 0 1 F dz2 6.632 -4 0 0 74
495 36 1 Fe 6 3 2 1 1 F dxz 6.632 -4 0 0 75
496 36 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 0 0 76
497 36 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 0 0 77
498 36 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 0 0 78
499 36 1 Fe 10 3 2 0 2 F dz2 2.565 -4 0 0 79
500 36 1 Fe 11 3 2 1 2 F dxz 2.565 -4 0 0 80
501 36 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 0 0 81
502 36 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 0 0 82
503 36 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 0 0 83
504 36 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 0 0 84
505 37 3 Te 1 5 0 0 1 F s 6.195 -3 0 0 1
506 37 3 Te 2 5 0 0 2 F s 4.205 -3 0 0 2
507 37 3 Te 3 5 1 -1 1 F py 8.156 -3 0 0 3
508 37 3 Te 4 5 1 0 1 F pz 8.156 -3 0 0 4
509 37 3 Te 5 5 1 1 1 F px 8.156 -3 0 0 5
510 37 3 Te 6 5 1 -1 2 F py 5.009 -3 0 0 6
511 37 3 Te 7 5 1 0 2 F pz 5.009 -3 0 0 7
512 37 3 Te 8 5 1 1 2 F px 5.009 -3 0 0 8
513 37 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 0 0 9
514 37 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 0 0 10
515 37 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 0 0 11
516 37 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 0 0 12
517 37 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 0 0 13
518 38 3 Te 1 5 0 0 1 F s 6.195 -3 0 0 14
519 38 3 Te 2 5 0 0 2 F s 4.205 -3 0 0 15
520 38 3 Te 3 5 1 -1 1 F py 8.156 -3 0 0 16
521 38 3 Te 4 5 1 0 1 F pz 8.156 -3 0 0 17
522 38 3 Te 5 5 1 1 1 F px 8.156 -3 0 0 18
523 38 3 Te 6 5 1 -1 2 F py 5.009 -3 0 0 19
524 38 3 Te 7 5 1 0 2 F pz 5.009 -3 0 0 20
525 38 3 Te 8 5 1 1 2 F px 5.009 -3 0 0 21
526 38 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 0 0 22
527 38 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 0 0 23
528 38 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 0 0 24
529 38 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 0 0 25
530 38 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 0 0 26
531 39 2 Ge 1 4 0 0 1 F s 6.581 -3 0 0 27
532 39 2 Ge 2 4 0 0 2 F s 4.412 -3 0 0 28
533 39 2 Ge 3 4 1 -1 1 F py 9.340 -3 0 0 29
534 39 2 Ge 4 4 1 0 1 F pz 9.340 -3 0 0 30
535 39 2 Ge 5 4 1 1 1 F px 9.340 -3 0 0 31
536 39 2 Ge 6 4 1 -1 2 F py 5.665 -3 0 0 32
537 39 2 Ge 7 4 1 0 2 F pz 5.665 -3 0 0 33
538 39 2 Ge 8 4 1 1 2 F px 5.665 -3 0 0 34
539 39 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -3 0 0 35
540 39 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -3 0 0 36
541 39 2 Ge 11 4 2 0 1 T Pdz2 9.340 -3 0 0 37
542 39 2 Ge 12 4 2 1 1 T Pdxz 9.340 -3 0 0 38
543 39 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -3 0 0 39
544 40 1 Fe 1 4 0 0 1 F s 9.649 -3 0 0 40
545 40 1 Fe 2 4 0 0 2 F s 6.885 -3 0 0 41
546 40 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 0 0 42
547 40 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 0 0 43
548 40 1 Fe 5 3 2 0 1 F dz2 6.632 -3 0 0 44
549 40 1 Fe 6 3 2 1 1 F dxz 6.632 -3 0 0 45
550 40 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 0 0 46
551 40 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 0 0 47
552 40 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 0 0 48
553 40 1 Fe 10 3 2 0 2 F dz2 2.565 -3 0 0 49
554 40 1 Fe 11 3 2 1 2 F dxz 2.565 -3 0 0 50
555 40 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 0 0 51
556 40 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 0 0 52
557 40 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 0 0 53
558 40 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 0 0 54
559 41 1 Fe 1 4 0 0 1 F s 9.649 -3 0 0 55
560 41 1 Fe 2 4 0 0 2 F s 6.885 -3 0 0 56
561 41 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 0 0 57
562 41 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 0 0 58
563 41 1 Fe 5 3 2 0 1 F dz2 6.632 -3 0 0 59
564 41 1 Fe 6 3 2 1 1 F dxz 6.632 -3 0 0 60
565 41 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 0 0 61
566 41 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 0 0 62
567 41 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 0 0 63
568 41 1 Fe 10 3 2 0 2 F dz2 2.565 -3 0 0 64
569 41 1 Fe 11 3 2 1 2 F dxz 2.565 -3 0 0 65
570 41 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 0 0 66
571 41 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 0 0 67
572 41 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 0 0 68
573 41 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 0 0 69
574 42 1 Fe 1 4 0 0 1 F s 9.649 -3 0 0 70
575 42 1 Fe 2 4 0 0 2 F s 6.885 -3 0 0 71
576 42 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 0 0 72
577 42 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 0 0 73
578 42 1 Fe 5 3 2 0 1 F dz2 6.632 -3 0 0 74
579 42 1 Fe 6 3 2 1 1 F dxz 6.632 -3 0 0 75
580 42 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 0 0 76
581 42 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 0 0 77
582 42 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 0 0 78
583 42 1 Fe 10 3 2 0 2 F dz2 2.565 -3 0 0 79
584 42 1 Fe 11 3 2 1 2 F dxz 2.565 -3 0 0 80
585 42 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 0 0 81
586 42 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 0 0 82
587 42 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 0 0 83
588 42 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 0 0 84
589 43 3 Te 1 5 0 0 1 F s 6.195 -2 0 0 1
590 43 3 Te 2 5 0 0 2 F s 4.205 -2 0 0 2
591 43 3 Te 3 5 1 -1 1 F py 8.156 -2 0 0 3
592 43 3 Te 4 5 1 0 1 F pz 8.156 -2 0 0 4
593 43 3 Te 5 5 1 1 1 F px 8.156 -2 0 0 5
594 43 3 Te 6 5 1 -1 2 F py 5.009 -2 0 0 6
595 43 3 Te 7 5 1 0 2 F pz 5.009 -2 0 0 7
596 43 3 Te 8 5 1 1 2 F px 5.009 -2 0 0 8
597 43 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 0 0 9
598 43 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 0 0 10
599 43 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 0 0 11
600 43 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 0 0 12
601 43 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 0 0 13
602 44 3 Te 1 5 0 0 1 F s 6.195 -2 0 0 14
603 44 3 Te 2 5 0 0 2 F s 4.205 -2 0 0 15
604 44 3 Te 3 5 1 -1 1 F py 8.156 -2 0 0 16
605 44 3 Te 4 5 1 0 1 F pz 8.156 -2 0 0 17
606 44 3 Te 5 5 1 1 1 F px 8.156 -2 0 0 18
607 44 3 Te 6 5 1 -1 2 F py 5.009 -2 0 0 19
608 44 3 Te 7 5 1 0 2 F pz 5.009 -2 0 0 20
609 44 3 Te 8 5 1 1 2 F px 5.009 -2 0 0 21
610 44 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 0 0 22
611 44 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 0 0 23
612 44 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 0 0 24
613 44 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 0 0 25
614 44 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 0 0 26
615 45 2 Ge 1 4 0 0 1 F s 6.581 -2 0 0 27
616 45 2 Ge 2 4 0 0 2 F s 4.412 -2 0 0 28
617 45 2 Ge 3 4 1 -1 1 F py 9.340 -2 0 0 29
618 45 2 Ge 4 4 1 0 1 F pz 9.340 -2 0 0 30
619 45 2 Ge 5 4 1 1 1 F px 9.340 -2 0 0 31
620 45 2 Ge 6 4 1 -1 2 F py 5.665 -2 0 0 32
621 45 2 Ge 7 4 1 0 2 F pz 5.665 -2 0 0 33
622 45 2 Ge 8 4 1 1 2 F px 5.665 -2 0 0 34
623 45 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -2 0 0 35
624 45 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -2 0 0 36
625 45 2 Ge 11 4 2 0 1 T Pdz2 9.340 -2 0 0 37
626 45 2 Ge 12 4 2 1 1 T Pdxz 9.340 -2 0 0 38
627 45 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -2 0 0 39
628 46 1 Fe 1 4 0 0 1 F s 9.649 -2 0 0 40
629 46 1 Fe 2 4 0 0 2 F s 6.885 -2 0 0 41
630 46 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 0 0 42
631 46 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 0 0 43
632 46 1 Fe 5 3 2 0 1 F dz2 6.632 -2 0 0 44
633 46 1 Fe 6 3 2 1 1 F dxz 6.632 -2 0 0 45
634 46 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 0 0 46
635 46 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 0 0 47
636 46 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 0 0 48
637 46 1 Fe 10 3 2 0 2 F dz2 2.565 -2 0 0 49
638 46 1 Fe 11 3 2 1 2 F dxz 2.565 -2 0 0 50
639 46 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 0 0 51
640 46 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 0 0 52
641 46 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 0 0 53
642 46 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 0 0 54
643 47 1 Fe 1 4 0 0 1 F s 9.649 -2 0 0 55
644 47 1 Fe 2 4 0 0 2 F s 6.885 -2 0 0 56
645 47 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 0 0 57
646 47 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 0 0 58
647 47 1 Fe 5 3 2 0 1 F dz2 6.632 -2 0 0 59
648 47 1 Fe 6 3 2 1 1 F dxz 6.632 -2 0 0 60
649 47 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 0 0 61
650 47 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 0 0 62
651 47 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 0 0 63
652 47 1 Fe 10 3 2 0 2 F dz2 2.565 -2 0 0 64
653 47 1 Fe 11 3 2 1 2 F dxz 2.565 -2 0 0 65
654 47 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 0 0 66
655 47 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 0 0 67
656 47 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 0 0 68
657 47 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 0 0 69
658 48 1 Fe 1 4 0 0 1 F s 9.649 -2 0 0 70
659 48 1 Fe 2 4 0 0 2 F s 6.885 -2 0 0 71
660 48 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 0 0 72
661 48 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 0 0 73
662 48 1 Fe 5 3 2 0 1 F dz2 6.632 -2 0 0 74
663 48 1 Fe 6 3 2 1 1 F dxz 6.632 -2 0 0 75
664 48 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 0 0 76
665 48 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 0 0 77
666 48 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 0 0 78
667 48 1 Fe 10 3 2 0 2 F dz2 2.565 -2 0 0 79
668 48 1 Fe 11 3 2 1 2 F dxz 2.565 -2 0 0 80
669 48 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 0 0 81
670 48 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 0 0 82
671 48 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 0 0 83
672 48 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 0 0 84
673 49 3 Te 1 5 0 0 1 F s 6.195 -1 0 0 1
674 49 3 Te 2 5 0 0 2 F s 4.205 -1 0 0 2
675 49 3 Te 3 5 1 -1 1 F py 8.156 -1 0 0 3
676 49 3 Te 4 5 1 0 1 F pz 8.156 -1 0 0 4
677 49 3 Te 5 5 1 1 1 F px 8.156 -1 0 0 5
678 49 3 Te 6 5 1 -1 2 F py 5.009 -1 0 0 6
679 49 3 Te 7 5 1 0 2 F pz 5.009 -1 0 0 7
680 49 3 Te 8 5 1 1 2 F px 5.009 -1 0 0 8
681 49 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 0 0 9
682 49 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 0 0 10
683 49 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 0 0 11
684 49 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 0 0 12
685 49 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 0 0 13
686 50 3 Te 1 5 0 0 1 F s 6.195 -1 0 0 14
687 50 3 Te 2 5 0 0 2 F s 4.205 -1 0 0 15
688 50 3 Te 3 5 1 -1 1 F py 8.156 -1 0 0 16
689 50 3 Te 4 5 1 0 1 F pz 8.156 -1 0 0 17
690 50 3 Te 5 5 1 1 1 F px 8.156 -1 0 0 18
691 50 3 Te 6 5 1 -1 2 F py 5.009 -1 0 0 19
692 50 3 Te 7 5 1 0 2 F pz 5.009 -1 0 0 20
693 50 3 Te 8 5 1 1 2 F px 5.009 -1 0 0 21
694 50 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 0 0 22
695 50 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 0 0 23
696 50 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 0 0 24
697 50 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 0 0 25
698 50 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 0 0 26
699 51 2 Ge 1 4 0 0 1 F s 6.581 -1 0 0 27
700 51 2 Ge 2 4 0 0 2 F s 4.412 -1 0 0 28
701 51 2 Ge 3 4 1 -1 1 F py 9.340 -1 0 0 29
702 51 2 Ge 4 4 1 0 1 F pz 9.340 -1 0 0 30
703 51 2 Ge 5 4 1 1 1 F px 9.340 -1 0 0 31
704 51 2 Ge 6 4 1 -1 2 F py 5.665 -1 0 0 32
705 51 2 Ge 7 4 1 0 2 F pz 5.665 -1 0 0 33
706 51 2 Ge 8 4 1 1 2 F px 5.665 -1 0 0 34
707 51 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -1 0 0 35
708 51 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -1 0 0 36
709 51 2 Ge 11 4 2 0 1 T Pdz2 9.340 -1 0 0 37
710 51 2 Ge 12 4 2 1 1 T Pdxz 9.340 -1 0 0 38
711 51 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -1 0 0 39
712 52 1 Fe 1 4 0 0 1 F s 9.649 -1 0 0 40
713 52 1 Fe 2 4 0 0 2 F s 6.885 -1 0 0 41
714 52 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 0 0 42
715 52 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 0 0 43
716 52 1 Fe 5 3 2 0 1 F dz2 6.632 -1 0 0 44
717 52 1 Fe 6 3 2 1 1 F dxz 6.632 -1 0 0 45
718 52 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 0 0 46
719 52 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 0 0 47
720 52 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 0 0 48
721 52 1 Fe 10 3 2 0 2 F dz2 2.565 -1 0 0 49
722 52 1 Fe 11 3 2 1 2 F dxz 2.565 -1 0 0 50
723 52 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 0 0 51
724 52 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 0 0 52
725 52 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 0 0 53
726 52 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 0 0 54
727 53 1 Fe 1 4 0 0 1 F s 9.649 -1 0 0 55
728 53 1 Fe 2 4 0 0 2 F s 6.885 -1 0 0 56
729 53 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 0 0 57
730 53 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 0 0 58
731 53 1 Fe 5 3 2 0 1 F dz2 6.632 -1 0 0 59
732 53 1 Fe 6 3 2 1 1 F dxz 6.632 -1 0 0 60
733 53 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 0 0 61
734 53 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 0 0 62
735 53 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 0 0 63
736 53 1 Fe 10 3 2 0 2 F dz2 2.565 -1 0 0 64
737 53 1 Fe 11 3 2 1 2 F dxz 2.565 -1 0 0 65
738 53 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 0 0 66
739 53 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 0 0 67
740 53 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 0 0 68
741 53 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 0 0 69
742 54 1 Fe 1 4 0 0 1 F s 9.649 -1 0 0 70
743 54 1 Fe 2 4 0 0 2 F s 6.885 -1 0 0 71
744 54 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 0 0 72
745 54 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 0 0 73
746 54 1 Fe 5 3 2 0 1 F dz2 6.632 -1 0 0 74
747 54 1 Fe 6 3 2 1 1 F dxz 6.632 -1 0 0 75
748 54 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 0 0 76
749 54 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 0 0 77
750 54 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 0 0 78
751 54 1 Fe 10 3 2 0 2 F dz2 2.565 -1 0 0 79
752 54 1 Fe 11 3 2 1 2 F dxz 2.565 -1 0 0 80
753 54 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 0 0 81
754 54 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 0 0 82
755 54 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 0 0 83
756 54 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 0 0 84
757 55 3 Te 1 5 0 0 1 F s 6.195 0 1 0 1
758 55 3 Te 2 5 0 0 2 F s 4.205 0 1 0 2
759 55 3 Te 3 5 1 -1 1 F py 8.156 0 1 0 3
760 55 3 Te 4 5 1 0 1 F pz 8.156 0 1 0 4
761 55 3 Te 5 5 1 1 1 F px 8.156 0 1 0 5
762 55 3 Te 6 5 1 -1 2 F py 5.009 0 1 0 6
763 55 3 Te 7 5 1 0 2 F pz 5.009 0 1 0 7
764 55 3 Te 8 5 1 1 2 F px 5.009 0 1 0 8
765 55 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 1 0 9
766 55 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 1 0 10
767 55 3 Te 11 5 2 0 1 T Pdz2 8.156 0 1 0 11
768 55 3 Te 12 5 2 1 1 T Pdxz 8.156 0 1 0 12
769 55 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 1 0 13
770 56 3 Te 1 5 0 0 1 F s 6.195 0 1 0 14
771 56 3 Te 2 5 0 0 2 F s 4.205 0 1 0 15
772 56 3 Te 3 5 1 -1 1 F py 8.156 0 1 0 16
773 56 3 Te 4 5 1 0 1 F pz 8.156 0 1 0 17
774 56 3 Te 5 5 1 1 1 F px 8.156 0 1 0 18
775 56 3 Te 6 5 1 -1 2 F py 5.009 0 1 0 19
776 56 3 Te 7 5 1 0 2 F pz 5.009 0 1 0 20
777 56 3 Te 8 5 1 1 2 F px 5.009 0 1 0 21
778 56 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 1 0 22
779 56 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 1 0 23
780 56 3 Te 11 5 2 0 1 T Pdz2 8.156 0 1 0 24
781 56 3 Te 12 5 2 1 1 T Pdxz 8.156 0 1 0 25
782 56 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 1 0 26
783 57 2 Ge 1 4 0 0 1 F s 6.581 0 1 0 27
784 57 2 Ge 2 4 0 0 2 F s 4.412 0 1 0 28
785 57 2 Ge 3 4 1 -1 1 F py 9.340 0 1 0 29
786 57 2 Ge 4 4 1 0 1 F pz 9.340 0 1 0 30
787 57 2 Ge 5 4 1 1 1 F px 9.340 0 1 0 31
788 57 2 Ge 6 4 1 -1 2 F py 5.665 0 1 0 32
789 57 2 Ge 7 4 1 0 2 F pz 5.665 0 1 0 33
790 57 2 Ge 8 4 1 1 2 F px 5.665 0 1 0 34
791 57 2 Ge 9 4 2 -2 1 T Pdxy 9.340 0 1 0 35
792 57 2 Ge 10 4 2 -1 1 T Pdyz 9.340 0 1 0 36
793 57 2 Ge 11 4 2 0 1 T Pdz2 9.340 0 1 0 37
794 57 2 Ge 12 4 2 1 1 T Pdxz 9.340 0 1 0 38
795 57 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 0 1 0 39
796 58 1 Fe 1 4 0 0 1 F s 9.649 0 1 0 40
797 58 1 Fe 2 4 0 0 2 F s 6.885 0 1 0 41
798 58 1 Fe 3 3 2 -2 1 F dxy 6.632 0 1 0 42
799 58 1 Fe 4 3 2 -1 1 F dyz 6.632 0 1 0 43
800 58 1 Fe 5 3 2 0 1 F dz2 6.632 0 1 0 44
801 58 1 Fe 6 3 2 1 1 F dxz 6.632 0 1 0 45
802 58 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 1 0 46
803 58 1 Fe 8 3 2 -2 2 F dxy 2.565 0 1 0 47
804 58 1 Fe 9 3 2 -1 2 F dyz 2.565 0 1 0 48
805 58 1 Fe 10 3 2 0 2 F dz2 2.565 0 1 0 49
806 58 1 Fe 11 3 2 1 2 F dxz 2.565 0 1 0 50
807 58 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 1 0 51
808 58 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 1 0 52
809 58 1 Fe 14 4 1 0 1 T Ppz 9.649 0 1 0 53
810 58 1 Fe 15 4 1 1 1 T Ppx 9.649 0 1 0 54
811 59 1 Fe 1 4 0 0 1 F s 9.649 0 1 0 55
812 59 1 Fe 2 4 0 0 2 F s 6.885 0 1 0 56
813 59 1 Fe 3 3 2 -2 1 F dxy 6.632 0 1 0 57
814 59 1 Fe 4 3 2 -1 1 F dyz 6.632 0 1 0 58
815 59 1 Fe 5 3 2 0 1 F dz2 6.632 0 1 0 59
816 59 1 Fe 6 3 2 1 1 F dxz 6.632 0 1 0 60
817 59 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 1 0 61
818 59 1 Fe 8 3 2 -2 2 F dxy 2.565 0 1 0 62
819 59 1 Fe 9 3 2 -1 2 F dyz 2.565 0 1 0 63
820 59 1 Fe 10 3 2 0 2 F dz2 2.565 0 1 0 64
821 59 1 Fe 11 3 2 1 2 F dxz 2.565 0 1 0 65
822 59 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 1 0 66
823 59 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 1 0 67
824 59 1 Fe 14 4 1 0 1 T Ppz 9.649 0 1 0 68
825 59 1 Fe 15 4 1 1 1 T Ppx 9.649 0 1 0 69
826 60 1 Fe 1 4 0 0 1 F s 9.649 0 1 0 70
827 60 1 Fe 2 4 0 0 2 F s 6.885 0 1 0 71
828 60 1 Fe 3 3 2 -2 1 F dxy 6.632 0 1 0 72
829 60 1 Fe 4 3 2 -1 1 F dyz 6.632 0 1 0 73
830 60 1 Fe 5 3 2 0 1 F dz2 6.632 0 1 0 74
831 60 1 Fe 6 3 2 1 1 F dxz 6.632 0 1 0 75
832 60 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 1 0 76
833 60 1 Fe 8 3 2 -2 2 F dxy 2.565 0 1 0 77
834 60 1 Fe 9 3 2 -1 2 F dyz 2.565 0 1 0 78
835 60 1 Fe 10 3 2 0 2 F dz2 2.565 0 1 0 79
836 60 1 Fe 11 3 2 1 2 F dxz 2.565 0 1 0 80
837 60 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 1 0 81
838 60 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 1 0 82
839 60 1 Fe 14 4 1 0 1 T Ppz 9.649 0 1 0 83
840 60 1 Fe 15 4 1 1 1 T Ppx 9.649 0 1 0 84
841 61 3 Te 1 5 0 0 1 F s 6.195 1 1 0 1
842 61 3 Te 2 5 0 0 2 F s 4.205 1 1 0 2
843 61 3 Te 3 5 1 -1 1 F py 8.156 1 1 0 3
844 61 3 Te 4 5 1 0 1 F pz 8.156 1 1 0 4
845 61 3 Te 5 5 1 1 1 F px 8.156 1 1 0 5
846 61 3 Te 6 5 1 -1 2 F py 5.009 1 1 0 6
847 61 3 Te 7 5 1 0 2 F pz 5.009 1 1 0 7
848 61 3 Te 8 5 1 1 2 F px 5.009 1 1 0 8
849 61 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 1 0 9
850 61 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 1 0 10
851 61 3 Te 11 5 2 0 1 T Pdz2 8.156 1 1 0 11
852 61 3 Te 12 5 2 1 1 T Pdxz 8.156 1 1 0 12
853 61 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 1 0 13
854 62 3 Te 1 5 0 0 1 F s 6.195 1 1 0 14
855 62 3 Te 2 5 0 0 2 F s 4.205 1 1 0 15
856 62 3 Te 3 5 1 -1 1 F py 8.156 1 1 0 16
857 62 3 Te 4 5 1 0 1 F pz 8.156 1 1 0 17
858 62 3 Te 5 5 1 1 1 F px 8.156 1 1 0 18
859 62 3 Te 6 5 1 -1 2 F py 5.009 1 1 0 19
860 62 3 Te 7 5 1 0 2 F pz 5.009 1 1 0 20
861 62 3 Te 8 5 1 1 2 F px 5.009 1 1 0 21
862 62 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 1 0 22
863 62 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 1 0 23
864 62 3 Te 11 5 2 0 1 T Pdz2 8.156 1 1 0 24
865 62 3 Te 12 5 2 1 1 T Pdxz 8.156 1 1 0 25
866 62 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 1 0 26
867 63 2 Ge 1 4 0 0 1 F s 6.581 1 1 0 27
868 63 2 Ge 2 4 0 0 2 F s 4.412 1 1 0 28
869 63 2 Ge 3 4 1 -1 1 F py 9.340 1 1 0 29
870 63 2 Ge 4 4 1 0 1 F pz 9.340 1 1 0 30
871 63 2 Ge 5 4 1 1 1 F px 9.340 1 1 0 31
872 63 2 Ge 6 4 1 -1 2 F py 5.665 1 1 0 32
873 63 2 Ge 7 4 1 0 2 F pz 5.665 1 1 0 33
874 63 2 Ge 8 4 1 1 2 F px 5.665 1 1 0 34
875 63 2 Ge 9 4 2 -2 1 T Pdxy 9.340 1 1 0 35
876 63 2 Ge 10 4 2 -1 1 T Pdyz 9.340 1 1 0 36
877 63 2 Ge 11 4 2 0 1 T Pdz2 9.340 1 1 0 37
878 63 2 Ge 12 4 2 1 1 T Pdxz 9.340 1 1 0 38
879 63 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 1 1 0 39
880 64 1 Fe 1 4 0 0 1 F s 9.649 1 1 0 40
881 64 1 Fe 2 4 0 0 2 F s 6.885 1 1 0 41
882 64 1 Fe 3 3 2 -2 1 F dxy 6.632 1 1 0 42
883 64 1 Fe 4 3 2 -1 1 F dyz 6.632 1 1 0 43
884 64 1 Fe 5 3 2 0 1 F dz2 6.632 1 1 0 44
885 64 1 Fe 6 3 2 1 1 F dxz 6.632 1 1 0 45
886 64 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 1 0 46
887 64 1 Fe 8 3 2 -2 2 F dxy 2.565 1 1 0 47
888 64 1 Fe 9 3 2 -1 2 F dyz 2.565 1 1 0 48
889 64 1 Fe 10 3 2 0 2 F dz2 2.565 1 1 0 49
890 64 1 Fe 11 3 2 1 2 F dxz 2.565 1 1 0 50
891 64 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 1 0 51
892 64 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 1 0 52
893 64 1 Fe 14 4 1 0 1 T Ppz 9.649 1 1 0 53
894 64 1 Fe 15 4 1 1 1 T Ppx 9.649 1 1 0 54
895 65 1 Fe 1 4 0 0 1 F s 9.649 1 1 0 55
896 65 1 Fe 2 4 0 0 2 F s 6.885 1 1 0 56
897 65 1 Fe 3 3 2 -2 1 F dxy 6.632 1 1 0 57
898 65 1 Fe 4 3 2 -1 1 F dyz 6.632 1 1 0 58
899 65 1 Fe 5 3 2 0 1 F dz2 6.632 1 1 0 59
900 65 1 Fe 6 3 2 1 1 F dxz 6.632 1 1 0 60
901 65 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 1 0 61
902 65 1 Fe 8 3 2 -2 2 F dxy 2.565 1 1 0 62
903 65 1 Fe 9 3 2 -1 2 F dyz 2.565 1 1 0 63
904 65 1 Fe 10 3 2 0 2 F dz2 2.565 1 1 0 64
905 65 1 Fe 11 3 2 1 2 F dxz 2.565 1 1 0 65
906 65 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 1 0 66
907 65 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 1 0 67
908 65 1 Fe 14 4 1 0 1 T Ppz 9.649 1 1 0 68
909 65 1 Fe 15 4 1 1 1 T Ppx 9.649 1 1 0 69
910 66 1 Fe 1 4 0 0 1 F s 9.649 1 1 0 70
911 66 1 Fe 2 4 0 0 2 F s 6.885 1 1 0 71
912 66 1 Fe 3 3 2 -2 1 F dxy 6.632 1 1 0 72
913 66 1 Fe 4 3 2 -1 1 F dyz 6.632 1 1 0 73
914 66 1 Fe 5 3 2 0 1 F dz2 6.632 1 1 0 74
915 66 1 Fe 6 3 2 1 1 F dxz 6.632 1 1 0 75
916 66 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 1 0 76
917 66 1 Fe 8 3 2 -2 2 F dxy 2.565 1 1 0 77
918 66 1 Fe 9 3 2 -1 2 F dyz 2.565 1 1 0 78
919 66 1 Fe 10 3 2 0 2 F dz2 2.565 1 1 0 79
920 66 1 Fe 11 3 2 1 2 F dxz 2.565 1 1 0 80
921 66 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 1 0 81
922 66 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 1 0 82
923 66 1 Fe 14 4 1 0 1 T Ppz 9.649 1 1 0 83
924 66 1 Fe 15 4 1 1 1 T Ppx 9.649 1 1 0 84
925 67 3 Te 1 5 0 0 1 F s 6.195 2 1 0 1
926 67 3 Te 2 5 0 0 2 F s 4.205 2 1 0 2
927 67 3 Te 3 5 1 -1 1 F py 8.156 2 1 0 3
928 67 3 Te 4 5 1 0 1 F pz 8.156 2 1 0 4
929 67 3 Te 5 5 1 1 1 F px 8.156 2 1 0 5
930 67 3 Te 6 5 1 -1 2 F py 5.009 2 1 0 6
931 67 3 Te 7 5 1 0 2 F pz 5.009 2 1 0 7
932 67 3 Te 8 5 1 1 2 F px 5.009 2 1 0 8
933 67 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 1 0 9
934 67 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 1 0 10
935 67 3 Te 11 5 2 0 1 T Pdz2 8.156 2 1 0 11
936 67 3 Te 12 5 2 1 1 T Pdxz 8.156 2 1 0 12
937 67 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 1 0 13
938 68 3 Te 1 5 0 0 1 F s 6.195 2 1 0 14
939 68 3 Te 2 5 0 0 2 F s 4.205 2 1 0 15
940 68 3 Te 3 5 1 -1 1 F py 8.156 2 1 0 16
941 68 3 Te 4 5 1 0 1 F pz 8.156 2 1 0 17
942 68 3 Te 5 5 1 1 1 F px 8.156 2 1 0 18
943 68 3 Te 6 5 1 -1 2 F py 5.009 2 1 0 19
944 68 3 Te 7 5 1 0 2 F pz 5.009 2 1 0 20
945 68 3 Te 8 5 1 1 2 F px 5.009 2 1 0 21
946 68 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 1 0 22
947 68 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 1 0 23
948 68 3 Te 11 5 2 0 1 T Pdz2 8.156 2 1 0 24
949 68 3 Te 12 5 2 1 1 T Pdxz 8.156 2 1 0 25
950 68 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 1 0 26
951 69 2 Ge 1 4 0 0 1 F s 6.581 2 1 0 27
952 69 2 Ge 2 4 0 0 2 F s 4.412 2 1 0 28
953 69 2 Ge 3 4 1 -1 1 F py 9.340 2 1 0 29
954 69 2 Ge 4 4 1 0 1 F pz 9.340 2 1 0 30
955 69 2 Ge 5 4 1 1 1 F px 9.340 2 1 0 31
956 69 2 Ge 6 4 1 -1 2 F py 5.665 2 1 0 32
957 69 2 Ge 7 4 1 0 2 F pz 5.665 2 1 0 33
958 69 2 Ge 8 4 1 1 2 F px 5.665 2 1 0 34
959 69 2 Ge 9 4 2 -2 1 T Pdxy 9.340 2 1 0 35
960 69 2 Ge 10 4 2 -1 1 T Pdyz 9.340 2 1 0 36
961 69 2 Ge 11 4 2 0 1 T Pdz2 9.340 2 1 0 37
962 69 2 Ge 12 4 2 1 1 T Pdxz 9.340 2 1 0 38
963 69 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 2 1 0 39
964 70 1 Fe 1 4 0 0 1 F s 9.649 2 1 0 40
965 70 1 Fe 2 4 0 0 2 F s 6.885 2 1 0 41
966 70 1 Fe 3 3 2 -2 1 F dxy 6.632 2 1 0 42
967 70 1 Fe 4 3 2 -1 1 F dyz 6.632 2 1 0 43
968 70 1 Fe 5 3 2 0 1 F dz2 6.632 2 1 0 44
969 70 1 Fe 6 3 2 1 1 F dxz 6.632 2 1 0 45
970 70 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 1 0 46
971 70 1 Fe 8 3 2 -2 2 F dxy 2.565 2 1 0 47
972 70 1 Fe 9 3 2 -1 2 F dyz 2.565 2 1 0 48
973 70 1 Fe 10 3 2 0 2 F dz2 2.565 2 1 0 49
974 70 1 Fe 11 3 2 1 2 F dxz 2.565 2 1 0 50
975 70 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 1 0 51
976 70 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 1 0 52
977 70 1 Fe 14 4 1 0 1 T Ppz 9.649 2 1 0 53
978 70 1 Fe 15 4 1 1 1 T Ppx 9.649 2 1 0 54
979 71 1 Fe 1 4 0 0 1 F s 9.649 2 1 0 55
980 71 1 Fe 2 4 0 0 2 F s 6.885 2 1 0 56
981 71 1 Fe 3 3 2 -2 1 F dxy 6.632 2 1 0 57
982 71 1 Fe 4 3 2 -1 1 F dyz 6.632 2 1 0 58
983 71 1 Fe 5 3 2 0 1 F dz2 6.632 2 1 0 59
984 71 1 Fe 6 3 2 1 1 F dxz 6.632 2 1 0 60
985 71 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 1 0 61
986 71 1 Fe 8 3 2 -2 2 F dxy 2.565 2 1 0 62
987 71 1 Fe 9 3 2 -1 2 F dyz 2.565 2 1 0 63
988 71 1 Fe 10 3 2 0 2 F dz2 2.565 2 1 0 64
989 71 1 Fe 11 3 2 1 2 F dxz 2.565 2 1 0 65
990 71 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 1 0 66
991 71 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 1 0 67
992 71 1 Fe 14 4 1 0 1 T Ppz 9.649 2 1 0 68
993 71 1 Fe 15 4 1 1 1 T Ppx 9.649 2 1 0 69
994 72 1 Fe 1 4 0 0 1 F s 9.649 2 1 0 70
995 72 1 Fe 2 4 0 0 2 F s 6.885 2 1 0 71
996 72 1 Fe 3 3 2 -2 1 F dxy 6.632 2 1 0 72
997 72 1 Fe 4 3 2 -1 1 F dyz 6.632 2 1 0 73
998 72 1 Fe 5 3 2 0 1 F dz2 6.632 2 1 0 74
999 72 1 Fe 6 3 2 1 1 F dxz 6.632 2 1 0 75
1000 72 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 1 0 76
1001 72 1 Fe 8 3 2 -2 2 F dxy 2.565 2 1 0 77
1002 72 1 Fe 9 3 2 -1 2 F dyz 2.565 2 1 0 78
1003 72 1 Fe 10 3 2 0 2 F dz2 2.565 2 1 0 79
1004 72 1 Fe 11 3 2 1 2 F dxz 2.565 2 1 0 80
1005 72 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 1 0 81
1006 72 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 1 0 82
1007 72 1 Fe 14 4 1 0 1 T Ppz 9.649 2 1 0 83
1008 72 1 Fe 15 4 1 1 1 T Ppx 9.649 2 1 0 84
1009 73 3 Te 1 5 0 0 1 F s 6.195 3 1 0 1
1010 73 3 Te 2 5 0 0 2 F s 4.205 3 1 0 2
1011 73 3 Te 3 5 1 -1 1 F py 8.156 3 1 0 3
1012 73 3 Te 4 5 1 0 1 F pz 8.156 3 1 0 4
1013 73 3 Te 5 5 1 1 1 F px 8.156 3 1 0 5
1014 73 3 Te 6 5 1 -1 2 F py 5.009 3 1 0 6
1015 73 3 Te 7 5 1 0 2 F pz 5.009 3 1 0 7
1016 73 3 Te 8 5 1 1 2 F px 5.009 3 1 0 8
1017 73 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 1 0 9
1018 73 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 1 0 10
1019 73 3 Te 11 5 2 0 1 T Pdz2 8.156 3 1 0 11
1020 73 3 Te 12 5 2 1 1 T Pdxz 8.156 3 1 0 12
1021 73 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 1 0 13
1022 74 3 Te 1 5 0 0 1 F s 6.195 3 1 0 14
1023 74 3 Te 2 5 0 0 2 F s 4.205 3 1 0 15
1024 74 3 Te 3 5 1 -1 1 F py 8.156 3 1 0 16
1025 74 3 Te 4 5 1 0 1 F pz 8.156 3 1 0 17
1026 74 3 Te 5 5 1 1 1 F px 8.156 3 1 0 18
1027 74 3 Te 6 5 1 -1 2 F py 5.009 3 1 0 19
1028 74 3 Te 7 5 1 0 2 F pz 5.009 3 1 0 20
1029 74 3 Te 8 5 1 1 2 F px 5.009 3 1 0 21
1030 74 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 1 0 22
1031 74 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 1 0 23
1032 74 3 Te 11 5 2 0 1 T Pdz2 8.156 3 1 0 24
1033 74 3 Te 12 5 2 1 1 T Pdxz 8.156 3 1 0 25
1034 74 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 1 0 26
1035 75 2 Ge 1 4 0 0 1 F s 6.581 3 1 0 27
1036 75 2 Ge 2 4 0 0 2 F s 4.412 3 1 0 28
1037 75 2 Ge 3 4 1 -1 1 F py 9.340 3 1 0 29
1038 75 2 Ge 4 4 1 0 1 F pz 9.340 3 1 0 30
1039 75 2 Ge 5 4 1 1 1 F px 9.340 3 1 0 31
1040 75 2 Ge 6 4 1 -1 2 F py 5.665 3 1 0 32
1041 75 2 Ge 7 4 1 0 2 F pz 5.665 3 1 0 33
1042 75 2 Ge 8 4 1 1 2 F px 5.665 3 1 0 34
1043 75 2 Ge 9 4 2 -2 1 T Pdxy 9.340 3 1 0 35
1044 75 2 Ge 10 4 2 -1 1 T Pdyz 9.340 3 1 0 36
1045 75 2 Ge 11 4 2 0 1 T Pdz2 9.340 3 1 0 37
1046 75 2 Ge 12 4 2 1 1 T Pdxz 9.340 3 1 0 38
1047 75 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 3 1 0 39
1048 76 1 Fe 1 4 0 0 1 F s 9.649 3 1 0 40
1049 76 1 Fe 2 4 0 0 2 F s 6.885 3 1 0 41
1050 76 1 Fe 3 3 2 -2 1 F dxy 6.632 3 1 0 42
1051 76 1 Fe 4 3 2 -1 1 F dyz 6.632 3 1 0 43
1052 76 1 Fe 5 3 2 0 1 F dz2 6.632 3 1 0 44
1053 76 1 Fe 6 3 2 1 1 F dxz 6.632 3 1 0 45
1054 76 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 1 0 46
1055 76 1 Fe 8 3 2 -2 2 F dxy 2.565 3 1 0 47
1056 76 1 Fe 9 3 2 -1 2 F dyz 2.565 3 1 0 48
1057 76 1 Fe 10 3 2 0 2 F dz2 2.565 3 1 0 49
1058 76 1 Fe 11 3 2 1 2 F dxz 2.565 3 1 0 50
1059 76 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 1 0 51
1060 76 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 1 0 52
1061 76 1 Fe 14 4 1 0 1 T Ppz 9.649 3 1 0 53
1062 76 1 Fe 15 4 1 1 1 T Ppx 9.649 3 1 0 54
1063 77 1 Fe 1 4 0 0 1 F s 9.649 3 1 0 55
1064 77 1 Fe 2 4 0 0 2 F s 6.885 3 1 0 56
1065 77 1 Fe 3 3 2 -2 1 F dxy 6.632 3 1 0 57
1066 77 1 Fe 4 3 2 -1 1 F dyz 6.632 3 1 0 58
1067 77 1 Fe 5 3 2 0 1 F dz2 6.632 3 1 0 59
1068 77 1 Fe 6 3 2 1 1 F dxz 6.632 3 1 0 60
1069 77 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 1 0 61
1070 77 1 Fe 8 3 2 -2 2 F dxy 2.565 3 1 0 62
1071 77 1 Fe 9 3 2 -1 2 F dyz 2.565 3 1 0 63
1072 77 1 Fe 10 3 2 0 2 F dz2 2.565 3 1 0 64
1073 77 1 Fe 11 3 2 1 2 F dxz 2.565 3 1 0 65
1074 77 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 1 0 66
1075 77 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 1 0 67
1076 77 1 Fe 14 4 1 0 1 T Ppz 9.649 3 1 0 68
1077 77 1 Fe 15 4 1 1 1 T Ppx 9.649 3 1 0 69
1078 78 1 Fe 1 4 0 0 1 F s 9.649 3 1 0 70
1079 78 1 Fe 2 4 0 0 2 F s 6.885 3 1 0 71
1080 78 1 Fe 3 3 2 -2 1 F dxy 6.632 3 1 0 72
1081 78 1 Fe 4 3 2 -1 1 F dyz 6.632 3 1 0 73
1082 78 1 Fe 5 3 2 0 1 F dz2 6.632 3 1 0 74
1083 78 1 Fe 6 3 2 1 1 F dxz 6.632 3 1 0 75
1084 78 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 1 0 76
1085 78 1 Fe 8 3 2 -2 2 F dxy 2.565 3 1 0 77
1086 78 1 Fe 9 3 2 -1 2 F dyz 2.565 3 1 0 78
1087 78 1 Fe 10 3 2 0 2 F dz2 2.565 3 1 0 79
1088 78 1 Fe 11 3 2 1 2 F dxz 2.565 3 1 0 80
1089 78 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 1 0 81
1090 78 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 1 0 82
1091 78 1 Fe 14 4 1 0 1 T Ppz 9.649 3 1 0 83
1092 78 1 Fe 15 4 1 1 1 T Ppx 9.649 3 1 0 84
1093 79 3 Te 1 5 0 0 1 F s 6.195 4 1 0 1
1094 79 3 Te 2 5 0 0 2 F s 4.205 4 1 0 2
1095 79 3 Te 3 5 1 -1 1 F py 8.156 4 1 0 3
1096 79 3 Te 4 5 1 0 1 F pz 8.156 4 1 0 4
1097 79 3 Te 5 5 1 1 1 F px 8.156 4 1 0 5
1098 79 3 Te 6 5 1 -1 2 F py 5.009 4 1 0 6
1099 79 3 Te 7 5 1 0 2 F pz 5.009 4 1 0 7
1100 79 3 Te 8 5 1 1 2 F px 5.009 4 1 0 8
1101 79 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 1 0 9
1102 79 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 1 0 10
1103 79 3 Te 11 5 2 0 1 T Pdz2 8.156 4 1 0 11
1104 79 3 Te 12 5 2 1 1 T Pdxz 8.156 4 1 0 12
1105 79 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 1 0 13
1106 80 3 Te 1 5 0 0 1 F s 6.195 4 1 0 14
1107 80 3 Te 2 5 0 0 2 F s 4.205 4 1 0 15
1108 80 3 Te 3 5 1 -1 1 F py 8.156 4 1 0 16
1109 80 3 Te 4 5 1 0 1 F pz 8.156 4 1 0 17
1110 80 3 Te 5 5 1 1 1 F px 8.156 4 1 0 18
1111 80 3 Te 6 5 1 -1 2 F py 5.009 4 1 0 19
1112 80 3 Te 7 5 1 0 2 F pz 5.009 4 1 0 20
1113 80 3 Te 8 5 1 1 2 F px 5.009 4 1 0 21
1114 80 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 1 0 22
1115 80 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 1 0 23
1116 80 3 Te 11 5 2 0 1 T Pdz2 8.156 4 1 0 24
1117 80 3 Te 12 5 2 1 1 T Pdxz 8.156 4 1 0 25
1118 80 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 1 0 26
1119 81 2 Ge 1 4 0 0 1 F s 6.581 4 1 0 27
1120 81 2 Ge 2 4 0 0 2 F s 4.412 4 1 0 28
1121 81 2 Ge 3 4 1 -1 1 F py 9.340 4 1 0 29
1122 81 2 Ge 4 4 1 0 1 F pz 9.340 4 1 0 30
1123 81 2 Ge 5 4 1 1 1 F px 9.340 4 1 0 31
1124 81 2 Ge 6 4 1 -1 2 F py 5.665 4 1 0 32
1125 81 2 Ge 7 4 1 0 2 F pz 5.665 4 1 0 33
1126 81 2 Ge 8 4 1 1 2 F px 5.665 4 1 0 34
1127 81 2 Ge 9 4 2 -2 1 T Pdxy 9.340 4 1 0 35
1128 81 2 Ge 10 4 2 -1 1 T Pdyz 9.340 4 1 0 36
1129 81 2 Ge 11 4 2 0 1 T Pdz2 9.340 4 1 0 37
1130 81 2 Ge 12 4 2 1 1 T Pdxz 9.340 4 1 0 38
1131 81 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 4 1 0 39
1132 82 1 Fe 1 4 0 0 1 F s 9.649 4 1 0 40
1133 82 1 Fe 2 4 0 0 2 F s 6.885 4 1 0 41
1134 82 1 Fe 3 3 2 -2 1 F dxy 6.632 4 1 0 42
1135 82 1 Fe 4 3 2 -1 1 F dyz 6.632 4 1 0 43
1136 82 1 Fe 5 3 2 0 1 F dz2 6.632 4 1 0 44
1137 82 1 Fe 6 3 2 1 1 F dxz 6.632 4 1 0 45
1138 82 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 1 0 46
1139 82 1 Fe 8 3 2 -2 2 F dxy 2.565 4 1 0 47
1140 82 1 Fe 9 3 2 -1 2 F dyz 2.565 4 1 0 48
1141 82 1 Fe 10 3 2 0 2 F dz2 2.565 4 1 0 49
1142 82 1 Fe 11 3 2 1 2 F dxz 2.565 4 1 0 50
1143 82 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 1 0 51
1144 82 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 1 0 52
1145 82 1 Fe 14 4 1 0 1 T Ppz 9.649 4 1 0 53
1146 82 1 Fe 15 4 1 1 1 T Ppx 9.649 4 1 0 54
1147 83 1 Fe 1 4 0 0 1 F s 9.649 4 1 0 55
1148 83 1 Fe 2 4 0 0 2 F s 6.885 4 1 0 56
1149 83 1 Fe 3 3 2 -2 1 F dxy 6.632 4 1 0 57
1150 83 1 Fe 4 3 2 -1 1 F dyz 6.632 4 1 0 58
1151 83 1 Fe 5 3 2 0 1 F dz2 6.632 4 1 0 59
1152 83 1 Fe 6 3 2 1 1 F dxz 6.632 4 1 0 60
1153 83 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 1 0 61
1154 83 1 Fe 8 3 2 -2 2 F dxy 2.565 4 1 0 62
1155 83 1 Fe 9 3 2 -1 2 F dyz 2.565 4 1 0 63
1156 83 1 Fe 10 3 2 0 2 F dz2 2.565 4 1 0 64
1157 83 1 Fe 11 3 2 1 2 F dxz 2.565 4 1 0 65
1158 83 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 1 0 66
1159 83 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 1 0 67
1160 83 1 Fe 14 4 1 0 1 T Ppz 9.649 4 1 0 68
1161 83 1 Fe 15 4 1 1 1 T Ppx 9.649 4 1 0 69
1162 84 1 Fe 1 4 0 0 1 F s 9.649 4 1 0 70
1163 84 1 Fe 2 4 0 0 2 F s 6.885 4 1 0 71
1164 84 1 Fe 3 3 2 -2 1 F dxy 6.632 4 1 0 72
1165 84 1 Fe 4 3 2 -1 1 F dyz 6.632 4 1 0 73
1166 84 1 Fe 5 3 2 0 1 F dz2 6.632 4 1 0 74
1167 84 1 Fe 6 3 2 1 1 F dxz 6.632 4 1 0 75
1168 84 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 1 0 76
1169 84 1 Fe 8 3 2 -2 2 F dxy 2.565 4 1 0 77
1170 84 1 Fe 9 3 2 -1 2 F dyz 2.565 4 1 0 78
1171 84 1 Fe 10 3 2 0 2 F dz2 2.565 4 1 0 79
1172 84 1 Fe 11 3 2 1 2 F dxz 2.565 4 1 0 80
1173 84 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 1 0 81
1174 84 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 1 0 82
1175 84 1 Fe 14 4 1 0 1 T Ppz 9.649 4 1 0 83
1176 84 1 Fe 15 4 1 1 1 T Ppx 9.649 4 1 0 84
1177 85 3 Te 1 5 0 0 1 F s 6.195 -4 1 0 1
1178 85 3 Te 2 5 0 0 2 F s 4.205 -4 1 0 2
1179 85 3 Te 3 5 1 -1 1 F py 8.156 -4 1 0 3
1180 85 3 Te 4 5 1 0 1 F pz 8.156 -4 1 0 4
1181 85 3 Te 5 5 1 1 1 F px 8.156 -4 1 0 5
1182 85 3 Te 6 5 1 -1 2 F py 5.009 -4 1 0 6
1183 85 3 Te 7 5 1 0 2 F pz 5.009 -4 1 0 7
1184 85 3 Te 8 5 1 1 2 F px 5.009 -4 1 0 8
1185 85 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 1 0 9
1186 85 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 1 0 10
1187 85 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 1 0 11
1188 85 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 1 0 12
1189 85 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 1 0 13
1190 86 3 Te 1 5 0 0 1 F s 6.195 -4 1 0 14
1191 86 3 Te 2 5 0 0 2 F s 4.205 -4 1 0 15
1192 86 3 Te 3 5 1 -1 1 F py 8.156 -4 1 0 16
1193 86 3 Te 4 5 1 0 1 F pz 8.156 -4 1 0 17
1194 86 3 Te 5 5 1 1 1 F px 8.156 -4 1 0 18
1195 86 3 Te 6 5 1 -1 2 F py 5.009 -4 1 0 19
1196 86 3 Te 7 5 1 0 2 F pz 5.009 -4 1 0 20
1197 86 3 Te 8 5 1 1 2 F px 5.009 -4 1 0 21
1198 86 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 1 0 22
1199 86 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 1 0 23
1200 86 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 1 0 24
1201 86 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 1 0 25
1202 86 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 1 0 26
1203 87 2 Ge 1 4 0 0 1 F s 6.581 -4 1 0 27
1204 87 2 Ge 2 4 0 0 2 F s 4.412 -4 1 0 28
1205 87 2 Ge 3 4 1 -1 1 F py 9.340 -4 1 0 29
1206 87 2 Ge 4 4 1 0 1 F pz 9.340 -4 1 0 30
1207 87 2 Ge 5 4 1 1 1 F px 9.340 -4 1 0 31
1208 87 2 Ge 6 4 1 -1 2 F py 5.665 -4 1 0 32
1209 87 2 Ge 7 4 1 0 2 F pz 5.665 -4 1 0 33
1210 87 2 Ge 8 4 1 1 2 F px 5.665 -4 1 0 34
1211 87 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -4 1 0 35
1212 87 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -4 1 0 36
1213 87 2 Ge 11 4 2 0 1 T Pdz2 9.340 -4 1 0 37
1214 87 2 Ge 12 4 2 1 1 T Pdxz 9.340 -4 1 0 38
1215 87 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -4 1 0 39
1216 88 1 Fe 1 4 0 0 1 F s 9.649 -4 1 0 40
1217 88 1 Fe 2 4 0 0 2 F s 6.885 -4 1 0 41
1218 88 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 1 0 42
1219 88 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 1 0 43
1220 88 1 Fe 5 3 2 0 1 F dz2 6.632 -4 1 0 44
1221 88 1 Fe 6 3 2 1 1 F dxz 6.632 -4 1 0 45
1222 88 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 1 0 46
1223 88 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 1 0 47
1224 88 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 1 0 48
1225 88 1 Fe 10 3 2 0 2 F dz2 2.565 -4 1 0 49
1226 88 1 Fe 11 3 2 1 2 F dxz 2.565 -4 1 0 50
1227 88 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 1 0 51
1228 88 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 1 0 52
1229 88 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 1 0 53
1230 88 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 1 0 54
1231 89 1 Fe 1 4 0 0 1 F s 9.649 -4 1 0 55
1232 89 1 Fe 2 4 0 0 2 F s 6.885 -4 1 0 56
1233 89 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 1 0 57
1234 89 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 1 0 58
1235 89 1 Fe 5 3 2 0 1 F dz2 6.632 -4 1 0 59
1236 89 1 Fe 6 3 2 1 1 F dxz 6.632 -4 1 0 60
1237 89 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 1 0 61
1238 89 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 1 0 62
1239 89 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 1 0 63
1240 89 1 Fe 10 3 2 0 2 F dz2 2.565 -4 1 0 64
1241 89 1 Fe 11 3 2 1 2 F dxz 2.565 -4 1 0 65
1242 89 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 1 0 66
1243 89 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 1 0 67
1244 89 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 1 0 68
1245 89 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 1 0 69
1246 90 1 Fe 1 4 0 0 1 F s 9.649 -4 1 0 70
1247 90 1 Fe 2 4 0 0 2 F s 6.885 -4 1 0 71
1248 90 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 1 0 72
1249 90 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 1 0 73
1250 90 1 Fe 5 3 2 0 1 F dz2 6.632 -4 1 0 74
1251 90 1 Fe 6 3 2 1 1 F dxz 6.632 -4 1 0 75
1252 90 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 1 0 76
1253 90 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 1 0 77
1254 90 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 1 0 78
1255 90 1 Fe 10 3 2 0 2 F dz2 2.565 -4 1 0 79
1256 90 1 Fe 11 3 2 1 2 F dxz 2.565 -4 1 0 80
1257 90 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 1 0 81
1258 90 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 1 0 82
1259 90 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 1 0 83
1260 90 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 1 0 84
1261 91 3 Te 1 5 0 0 1 F s 6.195 -3 1 0 1
1262 91 3 Te 2 5 0 0 2 F s 4.205 -3 1 0 2
1263 91 3 Te 3 5 1 -1 1 F py 8.156 -3 1 0 3
1264 91 3 Te 4 5 1 0 1 F pz 8.156 -3 1 0 4
1265 91 3 Te 5 5 1 1 1 F px 8.156 -3 1 0 5
1266 91 3 Te 6 5 1 -1 2 F py 5.009 -3 1 0 6
1267 91 3 Te 7 5 1 0 2 F pz 5.009 -3 1 0 7
1268 91 3 Te 8 5 1 1 2 F px 5.009 -3 1 0 8
1269 91 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 1 0 9
1270 91 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 1 0 10
1271 91 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 1 0 11
1272 91 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 1 0 12
1273 91 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 1 0 13
1274 92 3 Te 1 5 0 0 1 F s 6.195 -3 1 0 14
1275 92 3 Te 2 5 0 0 2 F s 4.205 -3 1 0 15
1276 92 3 Te 3 5 1 -1 1 F py 8.156 -3 1 0 16
1277 92 3 Te 4 5 1 0 1 F pz 8.156 -3 1 0 17
1278 92 3 Te 5 5 1 1 1 F px 8.156 -3 1 0 18
1279 92 3 Te 6 5 1 -1 2 F py 5.009 -3 1 0 19
1280 92 3 Te 7 5 1 0 2 F pz 5.009 -3 1 0 20
1281 92 3 Te 8 5 1 1 2 F px 5.009 -3 1 0 21
1282 92 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 1 0 22
1283 92 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 1 0 23
1284 92 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 1 0 24
1285 92 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 1 0 25
1286 92 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 1 0 26
1287 93 2 Ge 1 4 0 0 1 F s 6.581 -3 1 0 27
1288 93 2 Ge 2 4 0 0 2 F s 4.412 -3 1 0 28
1289 93 2 Ge 3 4 1 -1 1 F py 9.340 -3 1 0 29
1290 93 2 Ge 4 4 1 0 1 F pz 9.340 -3 1 0 30
1291 93 2 Ge 5 4 1 1 1 F px 9.340 -3 1 0 31
1292 93 2 Ge 6 4 1 -1 2 F py 5.665 -3 1 0 32
1293 93 2 Ge 7 4 1 0 2 F pz 5.665 -3 1 0 33
1294 93 2 Ge 8 4 1 1 2 F px 5.665 -3 1 0 34
1295 93 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -3 1 0 35
1296 93 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -3 1 0 36
1297 93 2 Ge 11 4 2 0 1 T Pdz2 9.340 -3 1 0 37
1298 93 2 Ge 12 4 2 1 1 T Pdxz 9.340 -3 1 0 38
1299 93 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -3 1 0 39
1300 94 1 Fe 1 4 0 0 1 F s 9.649 -3 1 0 40
1301 94 1 Fe 2 4 0 0 2 F s 6.885 -3 1 0 41
1302 94 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 1 0 42
1303 94 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 1 0 43
1304 94 1 Fe 5 3 2 0 1 F dz2 6.632 -3 1 0 44
1305 94 1 Fe 6 3 2 1 1 F dxz 6.632 -3 1 0 45
1306 94 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 1 0 46
1307 94 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 1 0 47
1308 94 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 1 0 48
1309 94 1 Fe 10 3 2 0 2 F dz2 2.565 -3 1 0 49
1310 94 1 Fe 11 3 2 1 2 F dxz 2.565 -3 1 0 50
1311 94 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 1 0 51
1312 94 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 1 0 52
1313 94 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 1 0 53
1314 94 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 1 0 54
1315 95 1 Fe 1 4 0 0 1 F s 9.649 -3 1 0 55
1316 95 1 Fe 2 4 0 0 2 F s 6.885 -3 1 0 56
1317 95 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 1 0 57
1318 95 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 1 0 58
1319 95 1 Fe 5 3 2 0 1 F dz2 6.632 -3 1 0 59
1320 95 1 Fe 6 3 2 1 1 F dxz 6.632 -3 1 0 60
1321 95 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 1 0 61
1322 95 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 1 0 62
1323 95 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 1 0 63
1324 95 1 Fe 10 3 2 0 2 F dz2 2.565 -3 1 0 64
1325 95 1 Fe 11 3 2 1 2 F dxz 2.565 -3 1 0 65
1326 95 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 1 0 66
1327 95 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 1 0 67
1328 95 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 1 0 68
1329 95 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 1 0 69
1330 96 1 Fe 1 4 0 0 1 F s 9.649 -3 1 0 70
1331 96 1 Fe 2 4 0 0 2 F s 6.885 -3 1 0 71
1332 96 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 1 0 72
1333 96 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 1 0 73
1334 96 1 Fe 5 3 2 0 1 F dz2 6.632 -3 1 0 74
1335 96 1 Fe 6 3 2 1 1 F dxz 6.632 -3 1 0 75
1336 96 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 1 0 76
1337 96 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 1 0 77
1338 96 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 1 0 78
1339 96 1 Fe 10 3 2 0 2 F dz2 2.565 -3 1 0 79
1340 96 1 Fe 11 3 2 1 2 F dxz 2.565 -3 1 0 80
1341 96 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 1 0 81
1342 96 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 1 0 82
1343 96 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 1 0 83
1344 96 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 1 0 84
1345 97 3 Te 1 5 0 0 1 F s 6.195 -2 1 0 1
1346 97 3 Te 2 5 0 0 2 F s 4.205 -2 1 0 2
1347 97 3 Te 3 5 1 -1 1 F py 8.156 -2 1 0 3
1348 97 3 Te 4 5 1 0 1 F pz 8.156 -2 1 0 4
1349 97 3 Te 5 5 1 1 1 F px 8.156 -2 1 0 5
1350 97 3 Te 6 5 1 -1 2 F py 5.009 -2 1 0 6
1351 97 3 Te 7 5 1 0 2 F pz 5.009 -2 1 0 7
1352 97 3 Te 8 5 1 1 2 F px 5.009 -2 1 0 8
1353 97 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 1 0 9
1354 97 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 1 0 10
1355 97 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 1 0 11
1356 97 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 1 0 12
1357 97 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 1 0 13
1358 98 3 Te 1 5 0 0 1 F s 6.195 -2 1 0 14
1359 98 3 Te 2 5 0 0 2 F s 4.205 -2 1 0 15
1360 98 3 Te 3 5 1 -1 1 F py 8.156 -2 1 0 16
1361 98 3 Te 4 5 1 0 1 F pz 8.156 -2 1 0 17
1362 98 3 Te 5 5 1 1 1 F px 8.156 -2 1 0 18
1363 98 3 Te 6 5 1 -1 2 F py 5.009 -2 1 0 19
1364 98 3 Te 7 5 1 0 2 F pz 5.009 -2 1 0 20
1365 98 3 Te 8 5 1 1 2 F px 5.009 -2 1 0 21
1366 98 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 1 0 22
1367 98 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 1 0 23
1368 98 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 1 0 24
1369 98 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 1 0 25
1370 98 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 1 0 26
1371 99 2 Ge 1 4 0 0 1 F s 6.581 -2 1 0 27
1372 99 2 Ge 2 4 0 0 2 F s 4.412 -2 1 0 28
1373 99 2 Ge 3 4 1 -1 1 F py 9.340 -2 1 0 29
1374 99 2 Ge 4 4 1 0 1 F pz 9.340 -2 1 0 30
1375 99 2 Ge 5 4 1 1 1 F px 9.340 -2 1 0 31
1376 99 2 Ge 6 4 1 -1 2 F py 5.665 -2 1 0 32
1377 99 2 Ge 7 4 1 0 2 F pz 5.665 -2 1 0 33
1378 99 2 Ge 8 4 1 1 2 F px 5.665 -2 1 0 34
1379 99 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -2 1 0 35
1380 99 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -2 1 0 36
1381 99 2 Ge 11 4 2 0 1 T Pdz2 9.340 -2 1 0 37
1382 99 2 Ge 12 4 2 1 1 T Pdxz 9.340 -2 1 0 38
1383 99 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -2 1 0 39
1384 100 1 Fe 1 4 0 0 1 F s 9.649 -2 1 0 40
1385 100 1 Fe 2 4 0 0 2 F s 6.885 -2 1 0 41
1386 100 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 1 0 42
1387 100 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 1 0 43
1388 100 1 Fe 5 3 2 0 1 F dz2 6.632 -2 1 0 44
1389 100 1 Fe 6 3 2 1 1 F dxz 6.632 -2 1 0 45
1390 100 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 1 0 46
1391 100 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 1 0 47
1392 100 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 1 0 48
1393 100 1 Fe 10 3 2 0 2 F dz2 2.565 -2 1 0 49
1394 100 1 Fe 11 3 2 1 2 F dxz 2.565 -2 1 0 50
1395 100 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 1 0 51
1396 100 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 1 0 52
1397 100 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 1 0 53
1398 100 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 1 0 54
1399 101 1 Fe 1 4 0 0 1 F s 9.649 -2 1 0 55
1400 101 1 Fe 2 4 0 0 2 F s 6.885 -2 1 0 56
1401 101 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 1 0 57
1402 101 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 1 0 58
1403 101 1 Fe 5 3 2 0 1 F dz2 6.632 -2 1 0 59
1404 101 1 Fe 6 3 2 1 1 F dxz 6.632 -2 1 0 60
1405 101 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 1 0 61
1406 101 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 1 0 62
1407 101 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 1 0 63
1408 101 1 Fe 10 3 2 0 2 F dz2 2.565 -2 1 0 64
1409 101 1 Fe 11 3 2 1 2 F dxz 2.565 -2 1 0 65
1410 101 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 1 0 66
1411 101 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 1 0 67
1412 101 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 1 0 68
1413 101 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 1 0 69
1414 102 1 Fe 1 4 0 0 1 F s 9.649 -2 1 0 70
1415 102 1 Fe 2 4 0 0 2 F s 6.885 -2 1 0 71
1416 102 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 1 0 72
1417 102 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 1 0 73
1418 102 1 Fe 5 3 2 0 1 F dz2 6.632 -2 1 0 74
1419 102 1 Fe 6 3 2 1 1 F dxz 6.632 -2 1 0 75
1420 102 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 1 0 76
1421 102 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 1 0 77
1422 102 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 1 0 78
1423 102 1 Fe 10 3 2 0 2 F dz2 2.565 -2 1 0 79
1424 102 1 Fe 11 3 2 1 2 F dxz 2.565 -2 1 0 80
1425 102 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 1 0 81
1426 102 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 1 0 82
1427 102 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 1 0 83
1428 102 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 1 0 84
1429 103 3 Te 1 5 0 0 1 F s 6.195 -1 1 0 1
1430 103 3 Te 2 5 0 0 2 F s 4.205 -1 1 0 2
1431 103 3 Te 3 5 1 -1 1 F py 8.156 -1 1 0 3
1432 103 3 Te 4 5 1 0 1 F pz 8.156 -1 1 0 4
1433 103 3 Te 5 5 1 1 1 F px 8.156 -1 1 0 5
1434 103 3 Te 6 5 1 -1 2 F py 5.009 -1 1 0 6
1435 103 3 Te 7 5 1 0 2 F pz 5.009 -1 1 0 7
1436 103 3 Te 8 5 1 1 2 F px 5.009 -1 1 0 8
1437 103 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 1 0 9
1438 103 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 1 0 10
1439 103 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 1 0 11
1440 103 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 1 0 12
1441 103 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 1 0 13
1442 104 3 Te 1 5 0 0 1 F s 6.195 -1 1 0 14
1443 104 3 Te 2 5 0 0 2 F s 4.205 -1 1 0 15
1444 104 3 Te 3 5 1 -1 1 F py 8.156 -1 1 0 16
1445 104 3 Te 4 5 1 0 1 F pz 8.156 -1 1 0 17
1446 104 3 Te 5 5 1 1 1 F px 8.156 -1 1 0 18
1447 104 3 Te 6 5 1 -1 2 F py 5.009 -1 1 0 19
1448 104 3 Te 7 5 1 0 2 F pz 5.009 -1 1 0 20
1449 104 3 Te 8 5 1 1 2 F px 5.009 -1 1 0 21
1450 104 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 1 0 22
1451 104 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 1 0 23
1452 104 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 1 0 24
1453 104 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 1 0 25
1454 104 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 1 0 26
1455 105 2 Ge 1 4 0 0 1 F s 6.581 -1 1 0 27
1456 105 2 Ge 2 4 0 0 2 F s 4.412 -1 1 0 28
1457 105 2 Ge 3 4 1 -1 1 F py 9.340 -1 1 0 29
1458 105 2 Ge 4 4 1 0 1 F pz 9.340 -1 1 0 30
1459 105 2 Ge 5 4 1 1 1 F px 9.340 -1 1 0 31
1460 105 2 Ge 6 4 1 -1 2 F py 5.665 -1 1 0 32
1461 105 2 Ge 7 4 1 0 2 F pz 5.665 -1 1 0 33
1462 105 2 Ge 8 4 1 1 2 F px 5.665 -1 1 0 34
1463 105 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -1 1 0 35
1464 105 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -1 1 0 36
1465 105 2 Ge 11 4 2 0 1 T Pdz2 9.340 -1 1 0 37
1466 105 2 Ge 12 4 2 1 1 T Pdxz 9.340 -1 1 0 38
1467 105 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -1 1 0 39
1468 106 1 Fe 1 4 0 0 1 F s 9.649 -1 1 0 40
1469 106 1 Fe 2 4 0 0 2 F s 6.885 -1 1 0 41
1470 106 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 1 0 42
1471 106 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 1 0 43
1472 106 1 Fe 5 3 2 0 1 F dz2 6.632 -1 1 0 44
1473 106 1 Fe 6 3 2 1 1 F dxz 6.632 -1 1 0 45
1474 106 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 1 0 46
1475 106 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 1 0 47
1476 106 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 1 0 48
1477 106 1 Fe 10 3 2 0 2 F dz2 2.565 -1 1 0 49
1478 106 1 Fe 11 3 2 1 2 F dxz 2.565 -1 1 0 50
1479 106 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 1 0 51
1480 106 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 1 0 52
1481 106 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 1 0 53
1482 106 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 1 0 54
1483 107 1 Fe 1 4 0 0 1 F s 9.649 -1 1 0 55
1484 107 1 Fe 2 4 0 0 2 F s 6.885 -1 1 0 56
1485 107 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 1 0 57
1486 107 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 1 0 58
1487 107 1 Fe 5 3 2 0 1 F dz2 6.632 -1 1 0 59
1488 107 1 Fe 6 3 2 1 1 F dxz 6.632 -1 1 0 60
1489 107 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 1 0 61
1490 107 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 1 0 62
1491 107 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 1 0 63
1492 107 1 Fe 10 3 2 0 2 F dz2 2.565 -1 1 0 64
1493 107 1 Fe 11 3 2 1 2 F dxz 2.565 -1 1 0 65
1494 107 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 1 0 66
1495 107 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 1 0 67
1496 107 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 1 0 68
1497 107 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 1 0 69
1498 108 1 Fe 1 4 0 0 1 F s 9.649 -1 1 0 70
1499 108 1 Fe 2 4 0 0 2 F s 6.885 -1 1 0 71
1500 108 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 1 0 72
1501 108 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 1 0 73
1502 108 1 Fe 5 3 2 0 1 F dz2 6.632 -1 1 0 74
1503 108 1 Fe 6 3 2 1 1 F dxz 6.632 -1 1 0 75
1504 108 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 1 0 76
1505 108 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 1 0 77
1506 108 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 1 0 78
1507 108 1 Fe 10 3 2 0 2 F dz2 2.565 -1 1 0 79
1508 108 1 Fe 11 3 2 1 2 F dxz 2.565 -1 1 0 80
1509 108 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 1 0 81
1510 108 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 1 0 82
1511 108 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 1 0 83
1512 108 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 1 0 84
1513 109 3 Te 1 5 0 0 1 F s 6.195 0 2 0 1
1514 109 3 Te 2 5 0 0 2 F s 4.205 0 2 0 2
1515 109 3 Te 3 5 1 -1 1 F py 8.156 0 2 0 3
1516 109 3 Te 4 5 1 0 1 F pz 8.156 0 2 0 4
1517 109 3 Te 5 5 1 1 1 F px 8.156 0 2 0 5
1518 109 3 Te 6 5 1 -1 2 F py 5.009 0 2 0 6
1519 109 3 Te 7 5 1 0 2 F pz 5.009 0 2 0 7
1520 109 3 Te 8 5 1 1 2 F px 5.009 0 2 0 8
1521 109 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 2 0 9
1522 109 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 2 0 10
1523 109 3 Te 11 5 2 0 1 T Pdz2 8.156 0 2 0 11
1524 109 3 Te 12 5 2 1 1 T Pdxz 8.156 0 2 0 12
1525 109 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 2 0 13
1526 110 3 Te 1 5 0 0 1 F s 6.195 0 2 0 14
1527 110 3 Te 2 5 0 0 2 F s 4.205 0 2 0 15
1528 110 3 Te 3 5 1 -1 1 F py 8.156 0 2 0 16
1529 110 3 Te 4 5 1 0 1 F pz 8.156 0 2 0 17
1530 110 3 Te 5 5 1 1 1 F px 8.156 0 2 0 18
1531 110 3 Te 6 5 1 -1 2 F py 5.009 0 2 0 19
1532 110 3 Te 7 5 1 0 2 F pz 5.009 0 2 0 20
1533 110 3 Te 8 5 1 1 2 F px 5.009 0 2 0 21
1534 110 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 2 0 22
1535 110 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 2 0 23
1536 110 3 Te 11 5 2 0 1 T Pdz2 8.156 0 2 0 24
1537 110 3 Te 12 5 2 1 1 T Pdxz 8.156 0 2 0 25
1538 110 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 2 0 26
1539 111 2 Ge 1 4 0 0 1 F s 6.581 0 2 0 27
1540 111 2 Ge 2 4 0 0 2 F s 4.412 0 2 0 28
1541 111 2 Ge 3 4 1 -1 1 F py 9.340 0 2 0 29
1542 111 2 Ge 4 4 1 0 1 F pz 9.340 0 2 0 30
1543 111 2 Ge 5 4 1 1 1 F px 9.340 0 2 0 31
1544 111 2 Ge 6 4 1 -1 2 F py 5.665 0 2 0 32
1545 111 2 Ge 7 4 1 0 2 F pz 5.665 0 2 0 33
1546 111 2 Ge 8 4 1 1 2 F px 5.665 0 2 0 34
1547 111 2 Ge 9 4 2 -2 1 T Pdxy 9.340 0 2 0 35
1548 111 2 Ge 10 4 2 -1 1 T Pdyz 9.340 0 2 0 36
1549 111 2 Ge 11 4 2 0 1 T Pdz2 9.340 0 2 0 37
1550 111 2 Ge 12 4 2 1 1 T Pdxz 9.340 0 2 0 38
1551 111 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 0 2 0 39
1552 112 1 Fe 1 4 0 0 1 F s 9.649 0 2 0 40
1553 112 1 Fe 2 4 0 0 2 F s 6.885 0 2 0 41
1554 112 1 Fe 3 3 2 -2 1 F dxy 6.632 0 2 0 42
1555 112 1 Fe 4 3 2 -1 1 F dyz 6.632 0 2 0 43
1556 112 1 Fe 5 3 2 0 1 F dz2 6.632 0 2 0 44
1557 112 1 Fe 6 3 2 1 1 F dxz 6.632 0 2 0 45
1558 112 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 2 0 46
1559 112 1 Fe 8 3 2 -2 2 F dxy 2.565 0 2 0 47
1560 112 1 Fe 9 3 2 -1 2 F dyz 2.565 0 2 0 48
1561 112 1 Fe 10 3 2 0 2 F dz2 2.565 0 2 0 49
1562 112 1 Fe 11 3 2 1 2 F dxz 2.565 0 2 0 50
1563 112 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 2 0 51
1564 112 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 2 0 52
1565 112 1 Fe 14 4 1 0 1 T Ppz 9.649 0 2 0 53
1566 112 1 Fe 15 4 1 1 1 T Ppx 9.649 0 2 0 54
1567 113 1 Fe 1 4 0 0 1 F s 9.649 0 2 0 55
1568 113 1 Fe 2 4 0 0 2 F s 6.885 0 2 0 56
1569 113 1 Fe 3 3 2 -2 1 F dxy 6.632 0 2 0 57
1570 113 1 Fe 4 3 2 -1 1 F dyz 6.632 0 2 0 58
1571 113 1 Fe 5 3 2 0 1 F dz2 6.632 0 2 0 59
1572 113 1 Fe 6 3 2 1 1 F dxz 6.632 0 2 0 60
1573 113 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 2 0 61
1574 113 1 Fe 8 3 2 -2 2 F dxy 2.565 0 2 0 62
1575 113 1 Fe 9 3 2 -1 2 F dyz 2.565 0 2 0 63
1576 113 1 Fe 10 3 2 0 2 F dz2 2.565 0 2 0 64
1577 113 1 Fe 11 3 2 1 2 F dxz 2.565 0 2 0 65
1578 113 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 2 0 66
1579 113 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 2 0 67
1580 113 1 Fe 14 4 1 0 1 T Ppz 9.649 0 2 0 68
1581 113 1 Fe 15 4 1 1 1 T Ppx 9.649 0 2 0 69
1582 114 1 Fe 1 4 0 0 1 F s 9.649 0 2 0 70
1583 114 1 Fe 2 4 0 0 2 F s 6.885 0 2 0 71
1584 114 1 Fe 3 3 2 -2 1 F dxy 6.632 0 2 0 72
1585 114 1 Fe 4 3 2 -1 1 F dyz 6.632 0 2 0 73
1586 114 1 Fe 5 3 2 0 1 F dz2 6.632 0 2 0 74
1587 114 1 Fe 6 3 2 1 1 F dxz 6.632 0 2 0 75
1588 114 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 2 0 76
1589 114 1 Fe 8 3 2 -2 2 F dxy 2.565 0 2 0 77
1590 114 1 Fe 9 3 2 -1 2 F dyz 2.565 0 2 0 78
1591 114 1 Fe 10 3 2 0 2 F dz2 2.565 0 2 0 79
1592 114 1 Fe 11 3 2 1 2 F dxz 2.565 0 2 0 80
1593 114 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 2 0 81
1594 114 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 2 0 82
1595 114 1 Fe 14 4 1 0 1 T Ppz 9.649 0 2 0 83
1596 114 1 Fe 15 4 1 1 1 T Ppx 9.649 0 2 0 84
1597 115 3 Te 1 5 0 0 1 F s 6.195 1 2 0 1
1598 115 3 Te 2 5 0 0 2 F s 4.205 1 2 0 2
1599 115 3 Te 3 5 1 -1 1 F py 8.156 1 2 0 3
1600 115 3 Te 4 5 1 0 1 F pz 8.156 1 2 0 4
1601 115 3 Te 5 5 1 1 1 F px 8.156 1 2 0 5
1602 115 3 Te 6 5 1 -1 2 F py 5.009 1 2 0 6
1603 115 3 Te 7 5 1 0 2 F pz 5.009 1 2 0 7
1604 115 3 Te 8 5 1 1 2 F px 5.009 1 2 0 8
1605 115 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 2 0 9
1606 115 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 2 0 10
1607 115 3 Te 11 5 2 0 1 T Pdz2 8.156 1 2 0 11
1608 115 3 Te 12 5 2 1 1 T Pdxz 8.156 1 2 0 12
1609 115 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 2 0 13
1610 116 3 Te 1 5 0 0 1 F s 6.195 1 2 0 14
1611 116 3 Te 2 5 0 0 2 F s 4.205 1 2 0 15
1612 116 3 Te 3 5 1 -1 1 F py 8.156 1 2 0 16
1613 116 3 Te 4 5 1 0 1 F pz 8.156 1 2 0 17
1614 116 3 Te 5 5 1 1 1 F px 8.156 1 2 0 18
1615 116 3 Te 6 5 1 -1 2 F py 5.009 1 2 0 19
1616 116 3 Te 7 5 1 0 2 F pz 5.009 1 2 0 20
1617 116 3 Te 8 5 1 1 2 F px 5.009 1 2 0 21
1618 116 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 2 0 22
1619 116 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 2 0 23
1620 116 3 Te 11 5 2 0 1 T Pdz2 8.156 1 2 0 24
1621 116 3 Te 12 5 2 1 1 T Pdxz 8.156 1 2 0 25
1622 116 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 2 0 26
1623 117 2 Ge 1 4 0 0 1 F s 6.581 1 2 0 27
1624 117 2 Ge 2 4 0 0 2 F s 4.412 1 2 0 28
1625 117 2 Ge 3 4 1 -1 1 F py 9.340 1 2 0 29
1626 117 2 Ge 4 4 1 0 1 F pz 9.340 1 2 0 30
1627 117 2 Ge 5 4 1 1 1 F px 9.340 1 2 0 31
1628 117 2 Ge 6 4 1 -1 2 F py 5.665 1 2 0 32
1629 117 2 Ge 7 4 1 0 2 F pz 5.665 1 2 0 33
1630 117 2 Ge 8 4 1 1 2 F px 5.665 1 2 0 34
1631 117 2 Ge 9 4 2 -2 1 T Pdxy 9.340 1 2 0 35
1632 117 2 Ge 10 4 2 -1 1 T Pdyz 9.340 1 2 0 36
1633 117 2 Ge 11 4 2 0 1 T Pdz2 9.340 1 2 0 37
1634 117 2 Ge 12 4 2 1 1 T Pdxz 9.340 1 2 0 38
1635 117 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 1 2 0 39
1636 118 1 Fe 1 4 0 0 1 F s 9.649 1 2 0 40
1637 118 1 Fe 2 4 0 0 2 F s 6.885 1 2 0 41
1638 118 1 Fe 3 3 2 -2 1 F dxy 6.632 1 2 0 42
1639 118 1 Fe 4 3 2 -1 1 F dyz 6.632 1 2 0 43
1640 118 1 Fe 5 3 2 0 1 F dz2 6.632 1 2 0 44
1641 118 1 Fe 6 3 2 1 1 F dxz 6.632 1 2 0 45
1642 118 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 2 0 46
1643 118 1 Fe 8 3 2 -2 2 F dxy 2.565 1 2 0 47
1644 118 1 Fe 9 3 2 -1 2 F dyz 2.565 1 2 0 48
1645 118 1 Fe 10 3 2 0 2 F dz2 2.565 1 2 0 49
1646 118 1 Fe 11 3 2 1 2 F dxz 2.565 1 2 0 50
1647 118 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 2 0 51
1648 118 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 2 0 52
1649 118 1 Fe 14 4 1 0 1 T Ppz 9.649 1 2 0 53
1650 118 1 Fe 15 4 1 1 1 T Ppx 9.649 1 2 0 54
1651 119 1 Fe 1 4 0 0 1 F s 9.649 1 2 0 55
1652 119 1 Fe 2 4 0 0 2 F s 6.885 1 2 0 56
1653 119 1 Fe 3 3 2 -2 1 F dxy 6.632 1 2 0 57
1654 119 1 Fe 4 3 2 -1 1 F dyz 6.632 1 2 0 58
1655 119 1 Fe 5 3 2 0 1 F dz2 6.632 1 2 0 59
1656 119 1 Fe 6 3 2 1 1 F dxz 6.632 1 2 0 60
1657 119 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 2 0 61
1658 119 1 Fe 8 3 2 -2 2 F dxy 2.565 1 2 0 62
1659 119 1 Fe 9 3 2 -1 2 F dyz 2.565 1 2 0 63
1660 119 1 Fe 10 3 2 0 2 F dz2 2.565 1 2 0 64
1661 119 1 Fe 11 3 2 1 2 F dxz 2.565 1 2 0 65
1662 119 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 2 0 66
1663 119 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 2 0 67
1664 119 1 Fe 14 4 1 0 1 T Ppz 9.649 1 2 0 68
1665 119 1 Fe 15 4 1 1 1 T Ppx 9.649 1 2 0 69
1666 120 1 Fe 1 4 0 0 1 F s 9.649 1 2 0 70
1667 120 1 Fe 2 4 0 0 2 F s 6.885 1 2 0 71
1668 120 1 Fe 3 3 2 -2 1 F dxy 6.632 1 2 0 72
1669 120 1 Fe 4 3 2 -1 1 F dyz 6.632 1 2 0 73
1670 120 1 Fe 5 3 2 0 1 F dz2 6.632 1 2 0 74
1671 120 1 Fe 6 3 2 1 1 F dxz 6.632 1 2 0 75
1672 120 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 2 0 76
1673 120 1 Fe 8 3 2 -2 2 F dxy 2.565 1 2 0 77
1674 120 1 Fe 9 3 2 -1 2 F dyz 2.565 1 2 0 78
1675 120 1 Fe 10 3 2 0 2 F dz2 2.565 1 2 0 79
1676 120 1 Fe 11 3 2 1 2 F dxz 2.565 1 2 0 80
1677 120 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 2 0 81
1678 120 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 2 0 82
1679 120 1 Fe 14 4 1 0 1 T Ppz 9.649 1 2 0 83
1680 120 1 Fe 15 4 1 1 1 T Ppx 9.649 1 2 0 84
1681 121 3 Te 1 5 0 0 1 F s 6.195 2 2 0 1
1682 121 3 Te 2 5 0 0 2 F s 4.205 2 2 0 2
1683 121 3 Te 3 5 1 -1 1 F py 8.156 2 2 0 3
1684 121 3 Te 4 5 1 0 1 F pz 8.156 2 2 0 4
1685 121 3 Te 5 5 1 1 1 F px 8.156 2 2 0 5
1686 121 3 Te 6 5 1 -1 2 F py 5.009 2 2 0 6
1687 121 3 Te 7 5 1 0 2 F pz 5.009 2 2 0 7
1688 121 3 Te 8 5 1 1 2 F px 5.009 2 2 0 8
1689 121 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 2 0 9
1690 121 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 2 0 10
1691 121 3 Te 11 5 2 0 1 T Pdz2 8.156 2 2 0 11
1692 121 3 Te 12 5 2 1 1 T Pdxz 8.156 2 2 0 12
1693 121 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 2 0 13
1694 122 3 Te 1 5 0 0 1 F s 6.195 2 2 0 14
1695 122 3 Te 2 5 0 0 2 F s 4.205 2 2 0 15
1696 122 3 Te 3 5 1 -1 1 F py 8.156 2 2 0 16
1697 122 3 Te 4 5 1 0 1 F pz 8.156 2 2 0 17
1698 122 3 Te 5 5 1 1 1 F px 8.156 2 2 0 18
1699 122 3 Te 6 5 1 -1 2 F py 5.009 2 2 0 19
1700 122 3 Te 7 5 1 0 2 F pz 5.009 2 2 0 20
1701 122 3 Te 8 5 1 1 2 F px 5.009 2 2 0 21
1702 122 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 2 0 22
1703 122 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 2 0 23
1704 122 3 Te 11 5 2 0 1 T Pdz2 8.156 2 2 0 24
1705 122 3 Te 12 5 2 1 1 T Pdxz 8.156 2 2 0 25
1706 122 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 2 0 26
1707 123 2 Ge 1 4 0 0 1 F s 6.581 2 2 0 27
1708 123 2 Ge 2 4 0 0 2 F s 4.412 2 2 0 28
1709 123 2 Ge 3 4 1 -1 1 F py 9.340 2 2 0 29
1710 123 2 Ge 4 4 1 0 1 F pz 9.340 2 2 0 30
1711 123 2 Ge 5 4 1 1 1 F px 9.340 2 2 0 31
1712 123 2 Ge 6 4 1 -1 2 F py 5.665 2 2 0 32
1713 123 2 Ge 7 4 1 0 2 F pz 5.665 2 2 0 33
1714 123 2 Ge 8 4 1 1 2 F px 5.665 2 2 0 34
1715 123 2 Ge 9 4 2 -2 1 T Pdxy 9.340 2 2 0 35
1716 123 2 Ge 10 4 2 -1 1 T Pdyz 9.340 2 2 0 36
1717 123 2 Ge 11 4 2 0 1 T Pdz2 9.340 2 2 0 37
1718 123 2 Ge 12 4 2 1 1 T Pdxz 9.340 2 2 0 38
1719 123 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 2 2 0 39
1720 124 1 Fe 1 4 0 0 1 F s 9.649 2 2 0 40
1721 124 1 Fe 2 4 0 0 2 F s 6.885 2 2 0 41
1722 124 1 Fe 3 3 2 -2 1 F dxy 6.632 2 2 0 42
1723 124 1 Fe 4 3 2 -1 1 F dyz 6.632 2 2 0 43
1724 124 1 Fe 5 3 2 0 1 F dz2 6.632 2 2 0 44
1725 124 1 Fe 6 3 2 1 1 F dxz 6.632 2 2 0 45
1726 124 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 2 0 46
1727 124 1 Fe 8 3 2 -2 2 F dxy 2.565 2 2 0 47
1728 124 1 Fe 9 3 2 -1 2 F dyz 2.565 2 2 0 48
1729 124 1 Fe 10 3 2 0 2 F dz2 2.565 2 2 0 49
1730 124 1 Fe 11 3 2 1 2 F dxz 2.565 2 2 0 50
1731 124 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 2 0 51
1732 124 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 2 0 52
1733 124 1 Fe 14 4 1 0 1 T Ppz 9.649 2 2 0 53
1734 124 1 Fe 15 4 1 1 1 T Ppx 9.649 2 2 0 54
1735 125 1 Fe 1 4 0 0 1 F s 9.649 2 2 0 55
1736 125 1 Fe 2 4 0 0 2 F s 6.885 2 2 0 56
1737 125 1 Fe 3 3 2 -2 1 F dxy 6.632 2 2 0 57
1738 125 1 Fe 4 3 2 -1 1 F dyz 6.632 2 2 0 58
1739 125 1 Fe 5 3 2 0 1 F dz2 6.632 2 2 0 59
1740 125 1 Fe 6 3 2 1 1 F dxz 6.632 2 2 0 60
1741 125 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 2 0 61
1742 125 1 Fe 8 3 2 -2 2 F dxy 2.565 2 2 0 62
1743 125 1 Fe 9 3 2 -1 2 F dyz 2.565 2 2 0 63
1744 125 1 Fe 10 3 2 0 2 F dz2 2.565 2 2 0 64
1745 125 1 Fe 11 3 2 1 2 F dxz 2.565 2 2 0 65
1746 125 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 2 0 66
1747 125 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 2 0 67
1748 125 1 Fe 14 4 1 0 1 T Ppz 9.649 2 2 0 68
1749 125 1 Fe 15 4 1 1 1 T Ppx 9.649 2 2 0 69
1750 126 1 Fe 1 4 0 0 1 F s 9.649 2 2 0 70
1751 126 1 Fe 2 4 0 0 2 F s 6.885 2 2 0 71
1752 126 1 Fe 3 3 2 -2 1 F dxy 6.632 2 2 0 72
1753 126 1 Fe 4 3 2 -1 1 F dyz 6.632 2 2 0 73
1754 126 1 Fe 5 3 2 0 1 F dz2 6.632 2 2 0 74
1755 126 1 Fe 6 3 2 1 1 F dxz 6.632 2 2 0 75
1756 126 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 2 0 76
1757 126 1 Fe 8 3 2 -2 2 F dxy 2.565 2 2 0 77
1758 126 1 Fe 9 3 2 -1 2 F dyz 2.565 2 2 0 78
1759 126 1 Fe 10 3 2 0 2 F dz2 2.565 2 2 0 79
1760 126 1 Fe 11 3 2 1 2 F dxz 2.565 2 2 0 80
1761 126 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 2 0 81
1762 126 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 2 0 82
1763 126 1 Fe 14 4 1 0 1 T Ppz 9.649 2 2 0 83
1764 126 1 Fe 15 4 1 1 1 T Ppx 9.649 2 2 0 84
1765 127 3 Te 1 5 0 0 1 F s 6.195 3 2 0 1
1766 127 3 Te 2 5 0 0 2 F s 4.205 3 2 0 2
1767 127 3 Te 3 5 1 -1 1 F py 8.156 3 2 0 3
1768 127 3 Te 4 5 1 0 1 F pz 8.156 3 2 0 4
1769 127 3 Te 5 5 1 1 1 F px 8.156 3 2 0 5
1770 127 3 Te 6 5 1 -1 2 F py 5.009 3 2 0 6
1771 127 3 Te 7 5 1 0 2 F pz 5.009 3 2 0 7
1772 127 3 Te 8 5 1 1 2 F px 5.009 3 2 0 8
1773 127 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 2 0 9
1774 127 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 2 0 10
1775 127 3 Te 11 5 2 0 1 T Pdz2 8.156 3 2 0 11
1776 127 3 Te 12 5 2 1 1 T Pdxz 8.156 3 2 0 12
1777 127 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 2 0 13
1778 128 3 Te 1 5 0 0 1 F s 6.195 3 2 0 14
1779 128 3 Te 2 5 0 0 2 F s 4.205 3 2 0 15
1780 128 3 Te 3 5 1 -1 1 F py 8.156 3 2 0 16
1781 128 3 Te 4 5 1 0 1 F pz 8.156 3 2 0 17
1782 128 3 Te 5 5 1 1 1 F px 8.156 3 2 0 18
1783 128 3 Te 6 5 1 -1 2 F py 5.009 3 2 0 19
1784 128 3 Te 7 5 1 0 2 F pz 5.009 3 2 0 20
1785 128 3 Te 8 5 1 1 2 F px 5.009 3 2 0 21
1786 128 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 2 0 22
1787 128 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 2 0 23
1788 128 3 Te 11 5 2 0 1 T Pdz2 8.156 3 2 0 24
1789 128 3 Te 12 5 2 1 1 T Pdxz 8.156 3 2 0 25
1790 128 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 2 0 26
1791 129 2 Ge 1 4 0 0 1 F s 6.581 3 2 0 27
1792 129 2 Ge 2 4 0 0 2 F s 4.412 3 2 0 28
1793 129 2 Ge 3 4 1 -1 1 F py 9.340 3 2 0 29
1794 129 2 Ge 4 4 1 0 1 F pz 9.340 3 2 0 30
1795 129 2 Ge 5 4 1 1 1 F px 9.340 3 2 0 31
1796 129 2 Ge 6 4 1 -1 2 F py 5.665 3 2 0 32
1797 129 2 Ge 7 4 1 0 2 F pz 5.665 3 2 0 33
1798 129 2 Ge 8 4 1 1 2 F px 5.665 3 2 0 34
1799 129 2 Ge 9 4 2 -2 1 T Pdxy 9.340 3 2 0 35
1800 129 2 Ge 10 4 2 -1 1 T Pdyz 9.340 3 2 0 36
1801 129 2 Ge 11 4 2 0 1 T Pdz2 9.340 3 2 0 37
1802 129 2 Ge 12 4 2 1 1 T Pdxz 9.340 3 2 0 38
1803 129 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 3 2 0 39
1804 130 1 Fe 1 4 0 0 1 F s 9.649 3 2 0 40
1805 130 1 Fe 2 4 0 0 2 F s 6.885 3 2 0 41
1806 130 1 Fe 3 3 2 -2 1 F dxy 6.632 3 2 0 42
1807 130 1 Fe 4 3 2 -1 1 F dyz 6.632 3 2 0 43
1808 130 1 Fe 5 3 2 0 1 F dz2 6.632 3 2 0 44
1809 130 1 Fe 6 3 2 1 1 F dxz 6.632 3 2 0 45
1810 130 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 2 0 46
1811 130 1 Fe 8 3 2 -2 2 F dxy 2.565 3 2 0 47
1812 130 1 Fe 9 3 2 -1 2 F dyz 2.565 3 2 0 48
1813 130 1 Fe 10 3 2 0 2 F dz2 2.565 3 2 0 49
1814 130 1 Fe 11 3 2 1 2 F dxz 2.565 3 2 0 50
1815 130 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 2 0 51
1816 130 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 2 0 52
1817 130 1 Fe 14 4 1 0 1 T Ppz 9.649 3 2 0 53
1818 130 1 Fe 15 4 1 1 1 T Ppx 9.649 3 2 0 54
1819 131 1 Fe 1 4 0 0 1 F s 9.649 3 2 0 55
1820 131 1 Fe 2 4 0 0 2 F s 6.885 3 2 0 56
1821 131 1 Fe 3 3 2 -2 1 F dxy 6.632 3 2 0 57
1822 131 1 Fe 4 3 2 -1 1 F dyz 6.632 3 2 0 58
1823 131 1 Fe 5 3 2 0 1 F dz2 6.632 3 2 0 59
1824 131 1 Fe 6 3 2 1 1 F dxz 6.632 3 2 0 60
1825 131 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 2 0 61
1826 131 1 Fe 8 3 2 -2 2 F dxy 2.565 3 2 0 62
1827 131 1 Fe 9 3 2 -1 2 F dyz 2.565 3 2 0 63
1828 131 1 Fe 10 3 2 0 2 F dz2 2.565 3 2 0 64
1829 131 1 Fe 11 3 2 1 2 F dxz 2.565 3 2 0 65
1830 131 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 2 0 66
1831 131 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 2 0 67
1832 131 1 Fe 14 4 1 0 1 T Ppz 9.649 3 2 0 68
1833 131 1 Fe 15 4 1 1 1 T Ppx 9.649 3 2 0 69
1834 132 1 Fe 1 4 0 0 1 F s 9.649 3 2 0 70
1835 132 1 Fe 2 4 0 0 2 F s 6.885 3 2 0 71
1836 132 1 Fe 3 3 2 -2 1 F dxy 6.632 3 2 0 72
1837 132 1 Fe 4 3 2 -1 1 F dyz 6.632 3 2 0 73
1838 132 1 Fe 5 3 2 0 1 F dz2 6.632 3 2 0 74
1839 132 1 Fe 6 3 2 1 1 F dxz 6.632 3 2 0 75
1840 132 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 2 0 76
1841 132 1 Fe 8 3 2 -2 2 F dxy 2.565 3 2 0 77
1842 132 1 Fe 9 3 2 -1 2 F dyz 2.565 3 2 0 78
1843 132 1 Fe 10 3 2 0 2 F dz2 2.565 3 2 0 79
1844 132 1 Fe 11 3 2 1 2 F dxz 2.565 3 2 0 80
1845 132 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 2 0 81
1846 132 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 2 0 82
1847 132 1 Fe 14 4 1 0 1 T Ppz 9.649 3 2 0 83
1848 132 1 Fe 15 4 1 1 1 T Ppx 9.649 3 2 0 84
1849 133 3 Te 1 5 0 0 1 F s 6.195 4 2 0 1
1850 133 3 Te 2 5 0 0 2 F s 4.205 4 2 0 2
1851 133 3 Te 3 5 1 -1 1 F py 8.156 4 2 0 3
1852 133 3 Te 4 5 1 0 1 F pz 8.156 4 2 0 4
1853 133 3 Te 5 5 1 1 1 F px 8.156 4 2 0 5
1854 133 3 Te 6 5 1 -1 2 F py 5.009 4 2 0 6
1855 133 3 Te 7 5 1 0 2 F pz 5.009 4 2 0 7
1856 133 3 Te 8 5 1 1 2 F px 5.009 4 2 0 8
1857 133 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 2 0 9
1858 133 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 2 0 10
1859 133 3 Te 11 5 2 0 1 T Pdz2 8.156 4 2 0 11
1860 133 3 Te 12 5 2 1 1 T Pdxz 8.156 4 2 0 12
1861 133 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 2 0 13
1862 134 3 Te 1 5 0 0 1 F s 6.195 4 2 0 14
1863 134 3 Te 2 5 0 0 2 F s 4.205 4 2 0 15
1864 134 3 Te 3 5 1 -1 1 F py 8.156 4 2 0 16
1865 134 3 Te 4 5 1 0 1 F pz 8.156 4 2 0 17
1866 134 3 Te 5 5 1 1 1 F px 8.156 4 2 0 18
1867 134 3 Te 6 5 1 -1 2 F py 5.009 4 2 0 19
1868 134 3 Te 7 5 1 0 2 F pz 5.009 4 2 0 20
1869 134 3 Te 8 5 1 1 2 F px 5.009 4 2 0 21
1870 134 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 2 0 22
1871 134 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 2 0 23
1872 134 3 Te 11 5 2 0 1 T Pdz2 8.156 4 2 0 24
1873 134 3 Te 12 5 2 1 1 T Pdxz 8.156 4 2 0 25
1874 134 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 2 0 26
1875 135 2 Ge 1 4 0 0 1 F s 6.581 4 2 0 27
1876 135 2 Ge 2 4 0 0 2 F s 4.412 4 2 0 28
1877 135 2 Ge 3 4 1 -1 1 F py 9.340 4 2 0 29
1878 135 2 Ge 4 4 1 0 1 F pz 9.340 4 2 0 30
1879 135 2 Ge 5 4 1 1 1 F px 9.340 4 2 0 31
1880 135 2 Ge 6 4 1 -1 2 F py 5.665 4 2 0 32
1881 135 2 Ge 7 4 1 0 2 F pz 5.665 4 2 0 33
1882 135 2 Ge 8 4 1 1 2 F px 5.665 4 2 0 34
1883 135 2 Ge 9 4 2 -2 1 T Pdxy 9.340 4 2 0 35
1884 135 2 Ge 10 4 2 -1 1 T Pdyz 9.340 4 2 0 36
1885 135 2 Ge 11 4 2 0 1 T Pdz2 9.340 4 2 0 37
1886 135 2 Ge 12 4 2 1 1 T Pdxz 9.340 4 2 0 38
1887 135 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 4 2 0 39
1888 136 1 Fe 1 4 0 0 1 F s 9.649 4 2 0 40
1889 136 1 Fe 2 4 0 0 2 F s 6.885 4 2 0 41
1890 136 1 Fe 3 3 2 -2 1 F dxy 6.632 4 2 0 42
1891 136 1 Fe 4 3 2 -1 1 F dyz 6.632 4 2 0 43
1892 136 1 Fe 5 3 2 0 1 F dz2 6.632 4 2 0 44
1893 136 1 Fe 6 3 2 1 1 F dxz 6.632 4 2 0 45
1894 136 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 2 0 46
1895 136 1 Fe 8 3 2 -2 2 F dxy 2.565 4 2 0 47
1896 136 1 Fe 9 3 2 -1 2 F dyz 2.565 4 2 0 48
1897 136 1 Fe 10 3 2 0 2 F dz2 2.565 4 2 0 49
1898 136 1 Fe 11 3 2 1 2 F dxz 2.565 4 2 0 50
1899 136 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 2 0 51
1900 136 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 2 0 52
1901 136 1 Fe 14 4 1 0 1 T Ppz 9.649 4 2 0 53
1902 136 1 Fe 15 4 1 1 1 T Ppx 9.649 4 2 0 54
1903 137 1 Fe 1 4 0 0 1 F s 9.649 4 2 0 55
1904 137 1 Fe 2 4 0 0 2 F s 6.885 4 2 0 56
1905 137 1 Fe 3 3 2 -2 1 F dxy 6.632 4 2 0 57
1906 137 1 Fe 4 3 2 -1 1 F dyz 6.632 4 2 0 58
1907 137 1 Fe 5 3 2 0 1 F dz2 6.632 4 2 0 59
1908 137 1 Fe 6 3 2 1 1 F dxz 6.632 4 2 0 60
1909 137 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 2 0 61
1910 137 1 Fe 8 3 2 -2 2 F dxy 2.565 4 2 0 62
1911 137 1 Fe 9 3 2 -1 2 F dyz 2.565 4 2 0 63
1912 137 1 Fe 10 3 2 0 2 F dz2 2.565 4 2 0 64
1913 137 1 Fe 11 3 2 1 2 F dxz 2.565 4 2 0 65
1914 137 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 2 0 66
1915 137 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 2 0 67
1916 137 1 Fe 14 4 1 0 1 T Ppz 9.649 4 2 0 68
1917 137 1 Fe 15 4 1 1 1 T Ppx 9.649 4 2 0 69
1918 138 1 Fe 1 4 0 0 1 F s 9.649 4 2 0 70
1919 138 1 Fe 2 4 0 0 2 F s 6.885 4 2 0 71
1920 138 1 Fe 3 3 2 -2 1 F dxy 6.632 4 2 0 72
1921 138 1 Fe 4 3 2 -1 1 F dyz 6.632 4 2 0 73
1922 138 1 Fe 5 3 2 0 1 F dz2 6.632 4 2 0 74
1923 138 1 Fe 6 3 2 1 1 F dxz 6.632 4 2 0 75
1924 138 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 2 0 76
1925 138 1 Fe 8 3 2 -2 2 F dxy 2.565 4 2 0 77
1926 138 1 Fe 9 3 2 -1 2 F dyz 2.565 4 2 0 78
1927 138 1 Fe 10 3 2 0 2 F dz2 2.565 4 2 0 79
1928 138 1 Fe 11 3 2 1 2 F dxz 2.565 4 2 0 80
1929 138 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 2 0 81
1930 138 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 2 0 82
1931 138 1 Fe 14 4 1 0 1 T Ppz 9.649 4 2 0 83
1932 138 1 Fe 15 4 1 1 1 T Ppx 9.649 4 2 0 84
1933 139 3 Te 1 5 0 0 1 F s 6.195 -4 2 0 1
1934 139 3 Te 2 5 0 0 2 F s 4.205 -4 2 0 2
1935 139 3 Te 3 5 1 -1 1 F py 8.156 -4 2 0 3
1936 139 3 Te 4 5 1 0 1 F pz 8.156 -4 2 0 4
1937 139 3 Te 5 5 1 1 1 F px 8.156 -4 2 0 5
1938 139 3 Te 6 5 1 -1 2 F py 5.009 -4 2 0 6
1939 139 3 Te 7 5 1 0 2 F pz 5.009 -4 2 0 7
1940 139 3 Te 8 5 1 1 2 F px 5.009 -4 2 0 8
1941 139 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 2 0 9
1942 139 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 2 0 10
1943 139 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 2 0 11
1944 139 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 2 0 12
1945 139 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 2 0 13
1946 140 3 Te 1 5 0 0 1 F s 6.195 -4 2 0 14
1947 140 3 Te 2 5 0 0 2 F s 4.205 -4 2 0 15
1948 140 3 Te 3 5 1 -1 1 F py 8.156 -4 2 0 16
1949 140 3 Te 4 5 1 0 1 F pz 8.156 -4 2 0 17
1950 140 3 Te 5 5 1 1 1 F px 8.156 -4 2 0 18
1951 140 3 Te 6 5 1 -1 2 F py 5.009 -4 2 0 19
1952 140 3 Te 7 5 1 0 2 F pz 5.009 -4 2 0 20
1953 140 3 Te 8 5 1 1 2 F px 5.009 -4 2 0 21
1954 140 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 2 0 22
1955 140 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 2 0 23
1956 140 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 2 0 24
1957 140 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 2 0 25
1958 140 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 2 0 26
1959 141 2 Ge 1 4 0 0 1 F s 6.581 -4 2 0 27
1960 141 2 Ge 2 4 0 0 2 F s 4.412 -4 2 0 28
1961 141 2 Ge 3 4 1 -1 1 F py 9.340 -4 2 0 29
1962 141 2 Ge 4 4 1 0 1 F pz 9.340 -4 2 0 30
1963 141 2 Ge 5 4 1 1 1 F px 9.340 -4 2 0 31
1964 141 2 Ge 6 4 1 -1 2 F py 5.665 -4 2 0 32
1965 141 2 Ge 7 4 1 0 2 F pz 5.665 -4 2 0 33
1966 141 2 Ge 8 4 1 1 2 F px 5.665 -4 2 0 34
1967 141 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -4 2 0 35
1968 141 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -4 2 0 36
1969 141 2 Ge 11 4 2 0 1 T Pdz2 9.340 -4 2 0 37
1970 141 2 Ge 12 4 2 1 1 T Pdxz 9.340 -4 2 0 38
1971 141 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -4 2 0 39
1972 142 1 Fe 1 4 0 0 1 F s 9.649 -4 2 0 40
1973 142 1 Fe 2 4 0 0 2 F s 6.885 -4 2 0 41
1974 142 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 2 0 42
1975 142 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 2 0 43
1976 142 1 Fe 5 3 2 0 1 F dz2 6.632 -4 2 0 44
1977 142 1 Fe 6 3 2 1 1 F dxz 6.632 -4 2 0 45
1978 142 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 2 0 46
1979 142 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 2 0 47
1980 142 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 2 0 48
1981 142 1 Fe 10 3 2 0 2 F dz2 2.565 -4 2 0 49
1982 142 1 Fe 11 3 2 1 2 F dxz 2.565 -4 2 0 50
1983 142 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 2 0 51
1984 142 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 2 0 52
1985 142 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 2 0 53
1986 142 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 2 0 54
1987 143 1 Fe 1 4 0 0 1 F s 9.649 -4 2 0 55
1988 143 1 Fe 2 4 0 0 2 F s 6.885 -4 2 0 56
1989 143 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 2 0 57
1990 143 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 2 0 58
1991 143 1 Fe 5 3 2 0 1 F dz2 6.632 -4 2 0 59
1992 143 1 Fe 6 3 2 1 1 F dxz 6.632 -4 2 0 60
1993 143 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 2 0 61
1994 143 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 2 0 62
1995 143 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 2 0 63
1996 143 1 Fe 10 3 2 0 2 F dz2 2.565 -4 2 0 64
1997 143 1 Fe 11 3 2 1 2 F dxz 2.565 -4 2 0 65
1998 143 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 2 0 66
1999 143 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 2 0 67
2000 143 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 2 0 68
2001 143 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 2 0 69
2002 144 1 Fe 1 4 0 0 1 F s 9.649 -4 2 0 70
2003 144 1 Fe 2 4 0 0 2 F s 6.885 -4 2 0 71
2004 144 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 2 0 72
2005 144 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 2 0 73
2006 144 1 Fe 5 3 2 0 1 F dz2 6.632 -4 2 0 74
2007 144 1 Fe 6 3 2 1 1 F dxz 6.632 -4 2 0 75
2008 144 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 2 0 76
2009 144 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 2 0 77
2010 144 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 2 0 78
2011 144 1 Fe 10 3 2 0 2 F dz2 2.565 -4 2 0 79
2012 144 1 Fe 11 3 2 1 2 F dxz 2.565 -4 2 0 80
2013 144 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 2 0 81
2014 144 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 2 0 82
2015 144 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 2 0 83
2016 144 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 2 0 84
2017 145 3 Te 1 5 0 0 1 F s 6.195 -3 2 0 1
2018 145 3 Te 2 5 0 0 2 F s 4.205 -3 2 0 2
2019 145 3 Te 3 5 1 -1 1 F py 8.156 -3 2 0 3
2020 145 3 Te 4 5 1 0 1 F pz 8.156 -3 2 0 4
2021 145 3 Te 5 5 1 1 1 F px 8.156 -3 2 0 5
2022 145 3 Te 6 5 1 -1 2 F py 5.009 -3 2 0 6
2023 145 3 Te 7 5 1 0 2 F pz 5.009 -3 2 0 7
2024 145 3 Te 8 5 1 1 2 F px 5.009 -3 2 0 8
2025 145 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 2 0 9
2026 145 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 2 0 10
2027 145 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 2 0 11
2028 145 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 2 0 12
2029 145 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 2 0 13
2030 146 3 Te 1 5 0 0 1 F s 6.195 -3 2 0 14
2031 146 3 Te 2 5 0 0 2 F s 4.205 -3 2 0 15
2032 146 3 Te 3 5 1 -1 1 F py 8.156 -3 2 0 16
2033 146 3 Te 4 5 1 0 1 F pz 8.156 -3 2 0 17
2034 146 3 Te 5 5 1 1 1 F px 8.156 -3 2 0 18
2035 146 3 Te 6 5 1 -1 2 F py 5.009 -3 2 0 19
2036 146 3 Te 7 5 1 0 2 F pz 5.009 -3 2 0 20
2037 146 3 Te 8 5 1 1 2 F px 5.009 -3 2 0 21
2038 146 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 2 0 22
2039 146 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 2 0 23
2040 146 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 2 0 24
2041 146 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 2 0 25
2042 146 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 2 0 26
2043 147 2 Ge 1 4 0 0 1 F s 6.581 -3 2 0 27
2044 147 2 Ge 2 4 0 0 2 F s 4.412 -3 2 0 28
2045 147 2 Ge 3 4 1 -1 1 F py 9.340 -3 2 0 29
2046 147 2 Ge 4 4 1 0 1 F pz 9.340 -3 2 0 30
2047 147 2 Ge 5 4 1 1 1 F px 9.340 -3 2 0 31
2048 147 2 Ge 6 4 1 -1 2 F py 5.665 -3 2 0 32
2049 147 2 Ge 7 4 1 0 2 F pz 5.665 -3 2 0 33
2050 147 2 Ge 8 4 1 1 2 F px 5.665 -3 2 0 34
2051 147 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -3 2 0 35
2052 147 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -3 2 0 36
2053 147 2 Ge 11 4 2 0 1 T Pdz2 9.340 -3 2 0 37
2054 147 2 Ge 12 4 2 1 1 T Pdxz 9.340 -3 2 0 38
2055 147 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -3 2 0 39
2056 148 1 Fe 1 4 0 0 1 F s 9.649 -3 2 0 40
2057 148 1 Fe 2 4 0 0 2 F s 6.885 -3 2 0 41
2058 148 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 2 0 42
2059 148 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 2 0 43
2060 148 1 Fe 5 3 2 0 1 F dz2 6.632 -3 2 0 44
2061 148 1 Fe 6 3 2 1 1 F dxz 6.632 -3 2 0 45
2062 148 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 2 0 46
2063 148 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 2 0 47
2064 148 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 2 0 48
2065 148 1 Fe 10 3 2 0 2 F dz2 2.565 -3 2 0 49
2066 148 1 Fe 11 3 2 1 2 F dxz 2.565 -3 2 0 50
2067 148 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 2 0 51
2068 148 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 2 0 52
2069 148 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 2 0 53
2070 148 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 2 0 54
2071 149 1 Fe 1 4 0 0 1 F s 9.649 -3 2 0 55
2072 149 1 Fe 2 4 0 0 2 F s 6.885 -3 2 0 56
2073 149 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 2 0 57
2074 149 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 2 0 58
2075 149 1 Fe 5 3 2 0 1 F dz2 6.632 -3 2 0 59
2076 149 1 Fe 6 3 2 1 1 F dxz 6.632 -3 2 0 60
2077 149 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 2 0 61
2078 149 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 2 0 62
2079 149 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 2 0 63
2080 149 1 Fe 10 3 2 0 2 F dz2 2.565 -3 2 0 64
2081 149 1 Fe 11 3 2 1 2 F dxz 2.565 -3 2 0 65
2082 149 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 2 0 66
2083 149 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 2 0 67
2084 149 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 2 0 68
2085 149 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 2 0 69
2086 150 1 Fe 1 4 0 0 1 F s 9.649 -3 2 0 70
2087 150 1 Fe 2 4 0 0 2 F s 6.885 -3 2 0 71
2088 150 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 2 0 72
2089 150 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 2 0 73
2090 150 1 Fe 5 3 2 0 1 F dz2 6.632 -3 2 0 74
2091 150 1 Fe 6 3 2 1 1 F dxz 6.632 -3 2 0 75
2092 150 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 2 0 76
2093 150 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 2 0 77
2094 150 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 2 0 78
2095 150 1 Fe 10 3 2 0 2 F dz2 2.565 -3 2 0 79
2096 150 1 Fe 11 3 2 1 2 F dxz 2.565 -3 2 0 80
2097 150 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 2 0 81
2098 150 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 2 0 82
2099 150 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 2 0 83
2100 150 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 2 0 84
2101 151 3 Te 1 5 0 0 1 F s 6.195 -2 2 0 1
2102 151 3 Te 2 5 0 0 2 F s 4.205 -2 2 0 2
2103 151 3 Te 3 5 1 -1 1 F py 8.156 -2 2 0 3
2104 151 3 Te 4 5 1 0 1 F pz 8.156 -2 2 0 4
2105 151 3 Te 5 5 1 1 1 F px 8.156 -2 2 0 5
2106 151 3 Te 6 5 1 -1 2 F py 5.009 -2 2 0 6
2107 151 3 Te 7 5 1 0 2 F pz 5.009 -2 2 0 7
2108 151 3 Te 8 5 1 1 2 F px 5.009 -2 2 0 8
2109 151 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 2 0 9
2110 151 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 2 0 10
2111 151 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 2 0 11
2112 151 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 2 0 12
2113 151 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 2 0 13
2114 152 3 Te 1 5 0 0 1 F s 6.195 -2 2 0 14
2115 152 3 Te 2 5 0 0 2 F s 4.205 -2 2 0 15
2116 152 3 Te 3 5 1 -1 1 F py 8.156 -2 2 0 16
2117 152 3 Te 4 5 1 0 1 F pz 8.156 -2 2 0 17
2118 152 3 Te 5 5 1 1 1 F px 8.156 -2 2 0 18
2119 152 3 Te 6 5 1 -1 2 F py 5.009 -2 2 0 19
2120 152 3 Te 7 5 1 0 2 F pz 5.009 -2 2 0 20
2121 152 3 Te 8 5 1 1 2 F px 5.009 -2 2 0 21
2122 152 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 2 0 22
2123 152 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 2 0 23
2124 152 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 2 0 24
2125 152 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 2 0 25
2126 152 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 2 0 26
2127 153 2 Ge 1 4 0 0 1 F s 6.581 -2 2 0 27
2128 153 2 Ge 2 4 0 0 2 F s 4.412 -2 2 0 28
2129 153 2 Ge 3 4 1 -1 1 F py 9.340 -2 2 0 29
2130 153 2 Ge 4 4 1 0 1 F pz 9.340 -2 2 0 30
2131 153 2 Ge 5 4 1 1 1 F px 9.340 -2 2 0 31
2132 153 2 Ge 6 4 1 -1 2 F py 5.665 -2 2 0 32
2133 153 2 Ge 7 4 1 0 2 F pz 5.665 -2 2 0 33
2134 153 2 Ge 8 4 1 1 2 F px 5.665 -2 2 0 34
2135 153 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -2 2 0 35
2136 153 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -2 2 0 36
2137 153 2 Ge 11 4 2 0 1 T Pdz2 9.340 -2 2 0 37
2138 153 2 Ge 12 4 2 1 1 T Pdxz 9.340 -2 2 0 38
2139 153 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -2 2 0 39
2140 154 1 Fe 1 4 0 0 1 F s 9.649 -2 2 0 40
2141 154 1 Fe 2 4 0 0 2 F s 6.885 -2 2 0 41
2142 154 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 2 0 42
2143 154 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 2 0 43
2144 154 1 Fe 5 3 2 0 1 F dz2 6.632 -2 2 0 44
2145 154 1 Fe 6 3 2 1 1 F dxz 6.632 -2 2 0 45
2146 154 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 2 0 46
2147 154 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 2 0 47
2148 154 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 2 0 48
2149 154 1 Fe 10 3 2 0 2 F dz2 2.565 -2 2 0 49
2150 154 1 Fe 11 3 2 1 2 F dxz 2.565 -2 2 0 50
2151 154 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 2 0 51
2152 154 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 2 0 52
2153 154 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 2 0 53
2154 154 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 2 0 54
2155 155 1 Fe 1 4 0 0 1 F s 9.649 -2 2 0 55
2156 155 1 Fe 2 4 0 0 2 F s 6.885 -2 2 0 56
2157 155 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 2 0 57
2158 155 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 2 0 58
2159 155 1 Fe 5 3 2 0 1 F dz2 6.632 -2 2 0 59
2160 155 1 Fe 6 3 2 1 1 F dxz 6.632 -2 2 0 60
2161 155 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 2 0 61
2162 155 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 2 0 62
2163 155 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 2 0 63
2164 155 1 Fe 10 3 2 0 2 F dz2 2.565 -2 2 0 64
2165 155 1 Fe 11 3 2 1 2 F dxz 2.565 -2 2 0 65
2166 155 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 2 0 66
2167 155 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 2 0 67
2168 155 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 2 0 68
2169 155 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 2 0 69
2170 156 1 Fe 1 4 0 0 1 F s 9.649 -2 2 0 70
2171 156 1 Fe 2 4 0 0 2 F s 6.885 -2 2 0 71
2172 156 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 2 0 72
2173 156 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 2 0 73
2174 156 1 Fe 5 3 2 0 1 F dz2 6.632 -2 2 0 74
2175 156 1 Fe 6 3 2 1 1 F dxz 6.632 -2 2 0 75
2176 156 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 2 0 76
2177 156 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 2 0 77
2178 156 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 2 0 78
2179 156 1 Fe 10 3 2 0 2 F dz2 2.565 -2 2 0 79
2180 156 1 Fe 11 3 2 1 2 F dxz 2.565 -2 2 0 80
2181 156 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 2 0 81
2182 156 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 2 0 82
2183 156 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 2 0 83
2184 156 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 2 0 84
2185 157 3 Te 1 5 0 0 1 F s 6.195 -1 2 0 1
2186 157 3 Te 2 5 0 0 2 F s 4.205 -1 2 0 2
2187 157 3 Te 3 5 1 -1 1 F py 8.156 -1 2 0 3
2188 157 3 Te 4 5 1 0 1 F pz 8.156 -1 2 0 4
2189 157 3 Te 5 5 1 1 1 F px 8.156 -1 2 0 5
2190 157 3 Te 6 5 1 -1 2 F py 5.009 -1 2 0 6
2191 157 3 Te 7 5 1 0 2 F pz 5.009 -1 2 0 7
2192 157 3 Te 8 5 1 1 2 F px 5.009 -1 2 0 8
2193 157 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 2 0 9
2194 157 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 2 0 10
2195 157 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 2 0 11
2196 157 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 2 0 12
2197 157 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 2 0 13
2198 158 3 Te 1 5 0 0 1 F s 6.195 -1 2 0 14
2199 158 3 Te 2 5 0 0 2 F s 4.205 -1 2 0 15
2200 158 3 Te 3 5 1 -1 1 F py 8.156 -1 2 0 16
2201 158 3 Te 4 5 1 0 1 F pz 8.156 -1 2 0 17
2202 158 3 Te 5 5 1 1 1 F px 8.156 -1 2 0 18
2203 158 3 Te 6 5 1 -1 2 F py 5.009 -1 2 0 19
2204 158 3 Te 7 5 1 0 2 F pz 5.009 -1 2 0 20
2205 158 3 Te 8 5 1 1 2 F px 5.009 -1 2 0 21
2206 158 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 2 0 22
2207 158 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 2 0 23
2208 158 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 2 0 24
2209 158 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 2 0 25
2210 158 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 2 0 26
2211 159 2 Ge 1 4 0 0 1 F s 6.581 -1 2 0 27
2212 159 2 Ge 2 4 0 0 2 F s 4.412 -1 2 0 28
2213 159 2 Ge 3 4 1 -1 1 F py 9.340 -1 2 0 29
2214 159 2 Ge 4 4 1 0 1 F pz 9.340 -1 2 0 30
2215 159 2 Ge 5 4 1 1 1 F px 9.340 -1 2 0 31
2216 159 2 Ge 6 4 1 -1 2 F py 5.665 -1 2 0 32
2217 159 2 Ge 7 4 1 0 2 F pz 5.665 -1 2 0 33
2218 159 2 Ge 8 4 1 1 2 F px 5.665 -1 2 0 34
2219 159 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -1 2 0 35
2220 159 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -1 2 0 36
2221 159 2 Ge 11 4 2 0 1 T Pdz2 9.340 -1 2 0 37
2222 159 2 Ge 12 4 2 1 1 T Pdxz 9.340 -1 2 0 38
2223 159 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -1 2 0 39
2224 160 1 Fe 1 4 0 0 1 F s 9.649 -1 2 0 40
2225 160 1 Fe 2 4 0 0 2 F s 6.885 -1 2 0 41
2226 160 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 2 0 42
2227 160 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 2 0 43
2228 160 1 Fe 5 3 2 0 1 F dz2 6.632 -1 2 0 44
2229 160 1 Fe 6 3 2 1 1 F dxz 6.632 -1 2 0 45
2230 160 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 2 0 46
2231 160 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 2 0 47
2232 160 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 2 0 48
2233 160 1 Fe 10 3 2 0 2 F dz2 2.565 -1 2 0 49
2234 160 1 Fe 11 3 2 1 2 F dxz 2.565 -1 2 0 50
2235 160 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 2 0 51
2236 160 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 2 0 52
2237 160 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 2 0 53
2238 160 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 2 0 54
2239 161 1 Fe 1 4 0 0 1 F s 9.649 -1 2 0 55
2240 161 1 Fe 2 4 0 0 2 F s 6.885 -1 2 0 56
2241 161 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 2 0 57
2242 161 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 2 0 58
2243 161 1 Fe 5 3 2 0 1 F dz2 6.632 -1 2 0 59
2244 161 1 Fe 6 3 2 1 1 F dxz 6.632 -1 2 0 60
2245 161 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 2 0 61
2246 161 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 2 0 62
2247 161 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 2 0 63
2248 161 1 Fe 10 3 2 0 2 F dz2 2.565 -1 2 0 64
2249 161 1 Fe 11 3 2 1 2 F dxz 2.565 -1 2 0 65
2250 161 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 2 0 66
2251 161 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 2 0 67
2252 161 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 2 0 68
2253 161 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 2 0 69
2254 162 1 Fe 1 4 0 0 1 F s 9.649 -1 2 0 70
2255 162 1 Fe 2 4 0 0 2 F s 6.885 -1 2 0 71
2256 162 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 2 0 72
2257 162 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 2 0 73
2258 162 1 Fe 5 3 2 0 1 F dz2 6.632 -1 2 0 74
2259 162 1 Fe 6 3 2 1 1 F dxz 6.632 -1 2 0 75
2260 162 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 2 0 76
2261 162 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 2 0 77
2262 162 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 2 0 78
2263 162 1 Fe 10 3 2 0 2 F dz2 2.565 -1 2 0 79
2264 162 1 Fe 11 3 2 1 2 F dxz 2.565 -1 2 0 80
2265 162 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 2 0 81
2266 162 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 2 0 82
2267 162 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 2 0 83
2268 162 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 2 0 84
2269 163 3 Te 1 5 0 0 1 F s 6.195 0 3 0 1
2270 163 3 Te 2 5 0 0 2 F s 4.205 0 3 0 2
2271 163 3 Te 3 5 1 -1 1 F py 8.156 0 3 0 3
2272 163 3 Te 4 5 1 0 1 F pz 8.156 0 3 0 4
2273 163 3 Te 5 5 1 1 1 F px 8.156 0 3 0 5
2274 163 3 Te 6 5 1 -1 2 F py 5.009 0 3 0 6
2275 163 3 Te 7 5 1 0 2 F pz 5.009 0 3 0 7
2276 163 3 Te 8 5 1 1 2 F px 5.009 0 3 0 8
2277 163 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 3 0 9
2278 163 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 3 0 10
2279 163 3 Te 11 5 2 0 1 T Pdz2 8.156 0 3 0 11
2280 163 3 Te 12 5 2 1 1 T Pdxz 8.156 0 3 0 12
2281 163 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 3 0 13
2282 164 3 Te 1 5 0 0 1 F s 6.195 0 3 0 14
2283 164 3 Te 2 5 0 0 2 F s 4.205 0 3 0 15
2284 164 3 Te 3 5 1 -1 1 F py 8.156 0 3 0 16
2285 164 3 Te 4 5 1 0 1 F pz 8.156 0 3 0 17
2286 164 3 Te 5 5 1 1 1 F px 8.156 0 3 0 18
2287 164 3 Te 6 5 1 -1 2 F py 5.009 0 3 0 19
2288 164 3 Te 7 5 1 0 2 F pz 5.009 0 3 0 20
2289 164 3 Te 8 5 1 1 2 F px 5.009 0 3 0 21
2290 164 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 3 0 22
2291 164 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 3 0 23
2292 164 3 Te 11 5 2 0 1 T Pdz2 8.156 0 3 0 24
2293 164 3 Te 12 5 2 1 1 T Pdxz 8.156 0 3 0 25
2294 164 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 3 0 26
2295 165 2 Ge 1 4 0 0 1 F s 6.581 0 3 0 27
2296 165 2 Ge 2 4 0 0 2 F s 4.412 0 3 0 28
2297 165 2 Ge 3 4 1 -1 1 F py 9.340 0 3 0 29
2298 165 2 Ge 4 4 1 0 1 F pz 9.340 0 3 0 30
2299 165 2 Ge 5 4 1 1 1 F px 9.340 0 3 0 31
2300 165 2 Ge 6 4 1 -1 2 F py 5.665 0 3 0 32
2301 165 2 Ge 7 4 1 0 2 F pz 5.665 0 3 0 33
2302 165 2 Ge 8 4 1 1 2 F px 5.665 0 3 0 34
2303 165 2 Ge 9 4 2 -2 1 T Pdxy 9.340 0 3 0 35
2304 165 2 Ge 10 4 2 -1 1 T Pdyz 9.340 0 3 0 36
2305 165 2 Ge 11 4 2 0 1 T Pdz2 9.340 0 3 0 37
2306 165 2 Ge 12 4 2 1 1 T Pdxz 9.340 0 3 0 38
2307 165 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 0 3 0 39
2308 166 1 Fe 1 4 0 0 1 F s 9.649 0 3 0 40
2309 166 1 Fe 2 4 0 0 2 F s 6.885 0 3 0 41
2310 166 1 Fe 3 3 2 -2 1 F dxy 6.632 0 3 0 42
2311 166 1 Fe 4 3 2 -1 1 F dyz 6.632 0 3 0 43
2312 166 1 Fe 5 3 2 0 1 F dz2 6.632 0 3 0 44
2313 166 1 Fe 6 3 2 1 1 F dxz 6.632 0 3 0 45
2314 166 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 3 0 46
2315 166 1 Fe 8 3 2 -2 2 F dxy 2.565 0 3 0 47
2316 166 1 Fe 9 3 2 -1 2 F dyz 2.565 0 3 0 48
2317 166 1 Fe 10 3 2 0 2 F dz2 2.565 0 3 0 49
2318 166 1 Fe 11 3 2 1 2 F dxz 2.565 0 3 0 50
2319 166 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 3 0 51
2320 166 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 3 0 52
2321 166 1 Fe 14 4 1 0 1 T Ppz 9.649 0 3 0 53
2322 166 1 Fe 15 4 1 1 1 T Ppx 9.649 0 3 0 54
2323 167 1 Fe 1 4 0 0 1 F s 9.649 0 3 0 55
2324 167 1 Fe 2 4 0 0 2 F s 6.885 0 3 0 56
2325 167 1 Fe 3 3 2 -2 1 F dxy 6.632 0 3 0 57
2326 167 1 Fe 4 3 2 -1 1 F dyz 6.632 0 3 0 58
2327 167 1 Fe 5 3 2 0 1 F dz2 6.632 0 3 0 59
2328 167 1 Fe 6 3 2 1 1 F dxz 6.632 0 3 0 60
2329 167 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 3 0 61
2330 167 1 Fe 8 3 2 -2 2 F dxy 2.565 0 3 0 62
2331 167 1 Fe 9 3 2 -1 2 F dyz 2.565 0 3 0 63
2332 167 1 Fe 10 3 2 0 2 F dz2 2.565 0 3 0 64
2333 167 1 Fe 11 3 2 1 2 F dxz 2.565 0 3 0 65
2334 167 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 3 0 66
2335 167 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 3 0 67
2336 167 1 Fe 14 4 1 0 1 T Ppz 9.649 0 3 0 68
2337 167 1 Fe 15 4 1 1 1 T Ppx 9.649 0 3 0 69
2338 168 1 Fe 1 4 0 0 1 F s 9.649 0 3 0 70
2339 168 1 Fe 2 4 0 0 2 F s 6.885 0 3 0 71
2340 168 1 Fe 3 3 2 -2 1 F dxy 6.632 0 3 0 72
2341 168 1 Fe 4 3 2 -1 1 F dyz 6.632 0 3 0 73
2342 168 1 Fe 5 3 2 0 1 F dz2 6.632 0 3 0 74
2343 168 1 Fe 6 3 2 1 1 F dxz 6.632 0 3 0 75
2344 168 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 3 0 76
2345 168 1 Fe 8 3 2 -2 2 F dxy 2.565 0 3 0 77
2346 168 1 Fe 9 3 2 -1 2 F dyz 2.565 0 3 0 78
2347 168 1 Fe 10 3 2 0 2 F dz2 2.565 0 3 0 79
2348 168 1 Fe 11 3 2 1 2 F dxz 2.565 0 3 0 80
2349 168 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 3 0 81
2350 168 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 3 0 82
2351 168 1 Fe 14 4 1 0 1 T Ppz 9.649 0 3 0 83
2352 168 1 Fe 15 4 1 1 1 T Ppx 9.649 0 3 0 84
2353 169 3 Te 1 5 0 0 1 F s 6.195 1 3 0 1
2354 169 3 Te 2 5 0 0 2 F s 4.205 1 3 0 2
2355 169 3 Te 3 5 1 -1 1 F py 8.156 1 3 0 3
2356 169 3 Te 4 5 1 0 1 F pz 8.156 1 3 0 4
2357 169 3 Te 5 5 1 1 1 F px 8.156 1 3 0 5
2358 169 3 Te 6 5 1 -1 2 F py 5.009 1 3 0 6
2359 169 3 Te 7 5 1 0 2 F pz 5.009 1 3 0 7
2360 169 3 Te 8 5 1 1 2 F px 5.009 1 3 0 8
2361 169 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 3 0 9
2362 169 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 3 0 10
2363 169 3 Te 11 5 2 0 1 T Pdz2 8.156 1 3 0 11
2364 169 3 Te 12 5 2 1 1 T Pdxz 8.156 1 3 0 12
2365 169 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 3 0 13
2366 170 3 Te 1 5 0 0 1 F s 6.195 1 3 0 14
2367 170 3 Te 2 5 0 0 2 F s 4.205 1 3 0 15
2368 170 3 Te 3 5 1 -1 1 F py 8.156 1 3 0 16
2369 170 3 Te 4 5 1 0 1 F pz 8.156 1 3 0 17
2370 170 3 Te 5 5 1 1 1 F px 8.156 1 3 0 18
2371 170 3 Te 6 5 1 -1 2 F py 5.009 1 3 0 19
2372 170 3 Te 7 5 1 0 2 F pz 5.009 1 3 0 20
2373 170 3 Te 8 5 1 1 2 F px 5.009 1 3 0 21
2374 170 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 3 0 22
2375 170 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 3 0 23
2376 170 3 Te 11 5 2 0 1 T Pdz2 8.156 1 3 0 24
2377 170 3 Te 12 5 2 1 1 T Pdxz 8.156 1 3 0 25
2378 170 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 3 0 26
2379 171 2 Ge 1 4 0 0 1 F s 6.581 1 3 0 27
2380 171 2 Ge 2 4 0 0 2 F s 4.412 1 3 0 28
2381 171 2 Ge 3 4 1 -1 1 F py 9.340 1 3 0 29
2382 171 2 Ge 4 4 1 0 1 F pz 9.340 1 3 0 30
2383 171 2 Ge 5 4 1 1 1 F px 9.340 1 3 0 31
2384 171 2 Ge 6 4 1 -1 2 F py 5.665 1 3 0 32
2385 171 2 Ge 7 4 1 0 2 F pz 5.665 1 3 0 33
2386 171 2 Ge 8 4 1 1 2 F px 5.665 1 3 0 34
2387 171 2 Ge 9 4 2 -2 1 T Pdxy 9.340 1 3 0 35
2388 171 2 Ge 10 4 2 -1 1 T Pdyz 9.340 1 3 0 36
2389 171 2 Ge 11 4 2 0 1 T Pdz2 9.340 1 3 0 37
2390 171 2 Ge 12 4 2 1 1 T Pdxz 9.340 1 3 0 38
2391 171 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 1 3 0 39
2392 172 1 Fe 1 4 0 0 1 F s 9.649 1 3 0 40
2393 172 1 Fe 2 4 0 0 2 F s 6.885 1 3 0 41
2394 172 1 Fe 3 3 2 -2 1 F dxy 6.632 1 3 0 42
2395 172 1 Fe 4 3 2 -1 1 F dyz 6.632 1 3 0 43
2396 172 1 Fe 5 3 2 0 1 F dz2 6.632 1 3 0 44
2397 172 1 Fe 6 3 2 1 1 F dxz 6.632 1 3 0 45
2398 172 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 3 0 46
2399 172 1 Fe 8 3 2 -2 2 F dxy 2.565 1 3 0 47
2400 172 1 Fe 9 3 2 -1 2 F dyz 2.565 1 3 0 48
2401 172 1 Fe 10 3 2 0 2 F dz2 2.565 1 3 0 49
2402 172 1 Fe 11 3 2 1 2 F dxz 2.565 1 3 0 50
2403 172 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 3 0 51
2404 172 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 3 0 52
2405 172 1 Fe 14 4 1 0 1 T Ppz 9.649 1 3 0 53
2406 172 1 Fe 15 4 1 1 1 T Ppx 9.649 1 3 0 54
2407 173 1 Fe 1 4 0 0 1 F s 9.649 1 3 0 55
2408 173 1 Fe 2 4 0 0 2 F s 6.885 1 3 0 56
2409 173 1 Fe 3 3 2 -2 1 F dxy 6.632 1 3 0 57
2410 173 1 Fe 4 3 2 -1 1 F dyz 6.632 1 3 0 58
2411 173 1 Fe 5 3 2 0 1 F dz2 6.632 1 3 0 59
2412 173 1 Fe 6 3 2 1 1 F dxz 6.632 1 3 0 60
2413 173 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 3 0 61
2414 173 1 Fe 8 3 2 -2 2 F dxy 2.565 1 3 0 62
2415 173 1 Fe 9 3 2 -1 2 F dyz 2.565 1 3 0 63
2416 173 1 Fe 10 3 2 0 2 F dz2 2.565 1 3 0 64
2417 173 1 Fe 11 3 2 1 2 F dxz 2.565 1 3 0 65
2418 173 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 3 0 66
2419 173 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 3 0 67
2420 173 1 Fe 14 4 1 0 1 T Ppz 9.649 1 3 0 68
2421 173 1 Fe 15 4 1 1 1 T Ppx 9.649 1 3 0 69
2422 174 1 Fe 1 4 0 0 1 F s 9.649 1 3 0 70
2423 174 1 Fe 2 4 0 0 2 F s 6.885 1 3 0 71
2424 174 1 Fe 3 3 2 -2 1 F dxy 6.632 1 3 0 72
2425 174 1 Fe 4 3 2 -1 1 F dyz 6.632 1 3 0 73
2426 174 1 Fe 5 3 2 0 1 F dz2 6.632 1 3 0 74
2427 174 1 Fe 6 3 2 1 1 F dxz 6.632 1 3 0 75
2428 174 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 3 0 76
2429 174 1 Fe 8 3 2 -2 2 F dxy 2.565 1 3 0 77
2430 174 1 Fe 9 3 2 -1 2 F dyz 2.565 1 3 0 78
2431 174 1 Fe 10 3 2 0 2 F dz2 2.565 1 3 0 79
2432 174 1 Fe 11 3 2 1 2 F dxz 2.565 1 3 0 80
2433 174 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 3 0 81
2434 174 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 3 0 82
2435 174 1 Fe 14 4 1 0 1 T Ppz 9.649 1 3 0 83
2436 174 1 Fe 15 4 1 1 1 T Ppx 9.649 1 3 0 84
2437 175 3 Te 1 5 0 0 1 F s 6.195 2 3 0 1
2438 175 3 Te 2 5 0 0 2 F s 4.205 2 3 0 2
2439 175 3 Te 3 5 1 -1 1 F py 8.156 2 3 0 3
2440 175 3 Te 4 5 1 0 1 F pz 8.156 2 3 0 4
2441 175 3 Te 5 5 1 1 1 F px 8.156 2 3 0 5
2442 175 3 Te 6 5 1 -1 2 F py 5.009 2 3 0 6
2443 175 3 Te 7 5 1 0 2 F pz 5.009 2 3 0 7
2444 175 3 Te 8 5 1 1 2 F px 5.009 2 3 0 8
2445 175 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 3 0 9
2446 175 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 3 0 10
2447 175 3 Te 11 5 2 0 1 T Pdz2 8.156 2 3 0 11
2448 175 3 Te 12 5 2 1 1 T Pdxz 8.156 2 3 0 12
2449 175 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 3 0 13
2450 176 3 Te 1 5 0 0 1 F s 6.195 2 3 0 14
2451 176 3 Te 2 5 0 0 2 F s 4.205 2 3 0 15
2452 176 3 Te 3 5 1 -1 1 F py 8.156 2 3 0 16
2453 176 3 Te 4 5 1 0 1 F pz 8.156 2 3 0 17
2454 176 3 Te 5 5 1 1 1 F px 8.156 2 3 0 18
2455 176 3 Te 6 5 1 -1 2 F py 5.009 2 3 0 19
2456 176 3 Te 7 5 1 0 2 F pz 5.009 2 3 0 20
2457 176 3 Te 8 5 1 1 2 F px 5.009 2 3 0 21
2458 176 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 3 0 22
2459 176 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 3 0 23
2460 176 3 Te 11 5 2 0 1 T Pdz2 8.156 2 3 0 24
2461 176 3 Te 12 5 2 1 1 T Pdxz 8.156 2 3 0 25
2462 176 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 3 0 26
2463 177 2 Ge 1 4 0 0 1 F s 6.581 2 3 0 27
2464 177 2 Ge 2 4 0 0 2 F s 4.412 2 3 0 28
2465 177 2 Ge 3 4 1 -1 1 F py 9.340 2 3 0 29
2466 177 2 Ge 4 4 1 0 1 F pz 9.340 2 3 0 30
2467 177 2 Ge 5 4 1 1 1 F px 9.340 2 3 0 31
2468 177 2 Ge 6 4 1 -1 2 F py 5.665 2 3 0 32
2469 177 2 Ge 7 4 1 0 2 F pz 5.665 2 3 0 33
2470 177 2 Ge 8 4 1 1 2 F px 5.665 2 3 0 34
2471 177 2 Ge 9 4 2 -2 1 T Pdxy 9.340 2 3 0 35
2472 177 2 Ge 10 4 2 -1 1 T Pdyz 9.340 2 3 0 36
2473 177 2 Ge 11 4 2 0 1 T Pdz2 9.340 2 3 0 37
2474 177 2 Ge 12 4 2 1 1 T Pdxz 9.340 2 3 0 38
2475 177 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 2 3 0 39
2476 178 1 Fe 1 4 0 0 1 F s 9.649 2 3 0 40
2477 178 1 Fe 2 4 0 0 2 F s 6.885 2 3 0 41
2478 178 1 Fe 3 3 2 -2 1 F dxy 6.632 2 3 0 42
2479 178 1 Fe 4 3 2 -1 1 F dyz 6.632 2 3 0 43
2480 178 1 Fe 5 3 2 0 1 F dz2 6.632 2 3 0 44
2481 178 1 Fe 6 3 2 1 1 F dxz 6.632 2 3 0 45
2482 178 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 3 0 46
2483 178 1 Fe 8 3 2 -2 2 F dxy 2.565 2 3 0 47
2484 178 1 Fe 9 3 2 -1 2 F dyz 2.565 2 3 0 48
2485 178 1 Fe 10 3 2 0 2 F dz2 2.565 2 3 0 49
2486 178 1 Fe 11 3 2 1 2 F dxz 2.565 2 3 0 50
2487 178 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 3 0 51
2488 178 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 3 0 52
2489 178 1 Fe 14 4 1 0 1 T Ppz 9.649 2 3 0 53
2490 178 1 Fe 15 4 1 1 1 T Ppx 9.649 2 3 0 54
2491 179 1 Fe 1 4 0 0 1 F s 9.649 2 3 0 55
2492 179 1 Fe 2 4 0 0 2 F s 6.885 2 3 0 56
2493 179 1 Fe 3 3 2 -2 1 F dxy 6.632 2 3 0 57
2494 179 1 Fe 4 3 2 -1 1 F dyz 6.632 2 3 0 58
2495 179 1 Fe 5 3 2 0 1 F dz2 6.632 2 3 0 59
2496 179 1 Fe 6 3 2 1 1 F dxz 6.632 2 3 0 60
2497 179 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 3 0 61
2498 179 1 Fe 8 3 2 -2 2 F dxy 2.565 2 3 0 62
2499 179 1 Fe 9 3 2 -1 2 F dyz 2.565 2 3 0 63
2500 179 1 Fe 10 3 2 0 2 F dz2 2.565 2 3 0 64
2501 179 1 Fe 11 3 2 1 2 F dxz 2.565 2 3 0 65
2502 179 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 3 0 66
2503 179 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 3 0 67
2504 179 1 Fe 14 4 1 0 1 T Ppz 9.649 2 3 0 68
2505 179 1 Fe 15 4 1 1 1 T Ppx 9.649 2 3 0 69
2506 180 1 Fe 1 4 0 0 1 F s 9.649 2 3 0 70
2507 180 1 Fe 2 4 0 0 2 F s 6.885 2 3 0 71
2508 180 1 Fe 3 3 2 -2 1 F dxy 6.632 2 3 0 72
2509 180 1 Fe 4 3 2 -1 1 F dyz 6.632 2 3 0 73
2510 180 1 Fe 5 3 2 0 1 F dz2 6.632 2 3 0 74
2511 180 1 Fe 6 3 2 1 1 F dxz 6.632 2 3 0 75
2512 180 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 3 0 76
2513 180 1 Fe 8 3 2 -2 2 F dxy 2.565 2 3 0 77
2514 180 1 Fe 9 3 2 -1 2 F dyz 2.565 2 3 0 78
2515 180 1 Fe 10 3 2 0 2 F dz2 2.565 2 3 0 79
2516 180 1 Fe 11 3 2 1 2 F dxz 2.565 2 3 0 80
2517 180 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 3 0 81
2518 180 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 3 0 82
2519 180 1 Fe 14 4 1 0 1 T Ppz 9.649 2 3 0 83
2520 180 1 Fe 15 4 1 1 1 T Ppx 9.649 2 3 0 84
2521 181 3 Te 1 5 0 0 1 F s 6.195 3 3 0 1
2522 181 3 Te 2 5 0 0 2 F s 4.205 3 3 0 2
2523 181 3 Te 3 5 1 -1 1 F py 8.156 3 3 0 3
2524 181 3 Te 4 5 1 0 1 F pz 8.156 3 3 0 4
2525 181 3 Te 5 5 1 1 1 F px 8.156 3 3 0 5
2526 181 3 Te 6 5 1 -1 2 F py 5.009 3 3 0 6
2527 181 3 Te 7 5 1 0 2 F pz 5.009 3 3 0 7
2528 181 3 Te 8 5 1 1 2 F px 5.009 3 3 0 8
2529 181 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 3 0 9
2530 181 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 3 0 10
2531 181 3 Te 11 5 2 0 1 T Pdz2 8.156 3 3 0 11
2532 181 3 Te 12 5 2 1 1 T Pdxz 8.156 3 3 0 12
2533 181 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 3 0 13
2534 182 3 Te 1 5 0 0 1 F s 6.195 3 3 0 14
2535 182 3 Te 2 5 0 0 2 F s 4.205 3 3 0 15
2536 182 3 Te 3 5 1 -1 1 F py 8.156 3 3 0 16
2537 182 3 Te 4 5 1 0 1 F pz 8.156 3 3 0 17
2538 182 3 Te 5 5 1 1 1 F px 8.156 3 3 0 18
2539 182 3 Te 6 5 1 -1 2 F py 5.009 3 3 0 19
2540 182 3 Te 7 5 1 0 2 F pz 5.009 3 3 0 20
2541 182 3 Te 8 5 1 1 2 F px 5.009 3 3 0 21
2542 182 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 3 0 22
2543 182 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 3 0 23
2544 182 3 Te 11 5 2 0 1 T Pdz2 8.156 3 3 0 24
2545 182 3 Te 12 5 2 1 1 T Pdxz 8.156 3 3 0 25
2546 182 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 3 0 26
2547 183 2 Ge 1 4 0 0 1 F s 6.581 3 3 0 27
2548 183 2 Ge 2 4 0 0 2 F s 4.412 3 3 0 28
2549 183 2 Ge 3 4 1 -1 1 F py 9.340 3 3 0 29
2550 183 2 Ge 4 4 1 0 1 F pz 9.340 3 3 0 30
2551 183 2 Ge 5 4 1 1 1 F px 9.340 3 3 0 31
2552 183 2 Ge 6 4 1 -1 2 F py 5.665 3 3 0 32
2553 183 2 Ge 7 4 1 0 2 F pz 5.665 3 3 0 33
2554 183 2 Ge 8 4 1 1 2 F px 5.665 3 3 0 34
2555 183 2 Ge 9 4 2 -2 1 T Pdxy 9.340 3 3 0 35
2556 183 2 Ge 10 4 2 -1 1 T Pdyz 9.340 3 3 0 36
2557 183 2 Ge 11 4 2 0 1 T Pdz2 9.340 3 3 0 37
2558 183 2 Ge 12 4 2 1 1 T Pdxz 9.340 3 3 0 38
2559 183 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 3 3 0 39
2560 184 1 Fe 1 4 0 0 1 F s 9.649 3 3 0 40
2561 184 1 Fe 2 4 0 0 2 F s 6.885 3 3 0 41
2562 184 1 Fe 3 3 2 -2 1 F dxy 6.632 3 3 0 42
2563 184 1 Fe 4 3 2 -1 1 F dyz 6.632 3 3 0 43
2564 184 1 Fe 5 3 2 0 1 F dz2 6.632 3 3 0 44
2565 184 1 Fe 6 3 2 1 1 F dxz 6.632 3 3 0 45
2566 184 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 3 0 46
2567 184 1 Fe 8 3 2 -2 2 F dxy 2.565 3 3 0 47
2568 184 1 Fe 9 3 2 -1 2 F dyz 2.565 3 3 0 48
2569 184 1 Fe 10 3 2 0 2 F dz2 2.565 3 3 0 49
2570 184 1 Fe 11 3 2 1 2 F dxz 2.565 3 3 0 50
2571 184 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 3 0 51
2572 184 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 3 0 52
2573 184 1 Fe 14 4 1 0 1 T Ppz 9.649 3 3 0 53
2574 184 1 Fe 15 4 1 1 1 T Ppx 9.649 3 3 0 54
2575 185 1 Fe 1 4 0 0 1 F s 9.649 3 3 0 55
2576 185 1 Fe 2 4 0 0 2 F s 6.885 3 3 0 56
2577 185 1 Fe 3 3 2 -2 1 F dxy 6.632 3 3 0 57
2578 185 1 Fe 4 3 2 -1 1 F dyz 6.632 3 3 0 58
2579 185 1 Fe 5 3 2 0 1 F dz2 6.632 3 3 0 59
2580 185 1 Fe 6 3 2 1 1 F dxz 6.632 3 3 0 60
2581 185 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 3 0 61
2582 185 1 Fe 8 3 2 -2 2 F dxy 2.565 3 3 0 62
2583 185 1 Fe 9 3 2 -1 2 F dyz 2.565 3 3 0 63
2584 185 1 Fe 10 3 2 0 2 F dz2 2.565 3 3 0 64
2585 185 1 Fe 11 3 2 1 2 F dxz 2.565 3 3 0 65
2586 185 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 3 0 66
2587 185 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 3 0 67
2588 185 1 Fe 14 4 1 0 1 T Ppz 9.649 3 3 0 68
2589 185 1 Fe 15 4 1 1 1 T Ppx 9.649 3 3 0 69
2590 186 1 Fe 1 4 0 0 1 F s 9.649 3 3 0 70
2591 186 1 Fe 2 4 0 0 2 F s 6.885 3 3 0 71
2592 186 1 Fe 3 3 2 -2 1 F dxy 6.632 3 3 0 72
2593 186 1 Fe 4 3 2 -1 1 F dyz 6.632 3 3 0 73
2594 186 1 Fe 5 3 2 0 1 F dz2 6.632 3 3 0 74
2595 186 1 Fe 6 3 2 1 1 F dxz 6.632 3 3 0 75
2596 186 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 3 0 76
2597 186 1 Fe 8 3 2 -2 2 F dxy 2.565 3 3 0 77
2598 186 1 Fe 9 3 2 -1 2 F dyz 2.565 3 3 0 78
2599 186 1 Fe 10 3 2 0 2 F dz2 2.565 3 3 0 79
2600 186 1 Fe 11 3 2 1 2 F dxz 2.565 3 3 0 80
2601 186 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 3 0 81
2602 186 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 3 0 82
2603 186 1 Fe 14 4 1 0 1 T Ppz 9.649 3 3 0 83
2604 186 1 Fe 15 4 1 1 1 T Ppx 9.649 3 3 0 84
2605 187 3 Te 1 5 0 0 1 F s 6.195 4 3 0 1
2606 187 3 Te 2 5 0 0 2 F s 4.205 4 3 0 2
2607 187 3 Te 3 5 1 -1 1 F py 8.156 4 3 0 3
2608 187 3 Te 4 5 1 0 1 F pz 8.156 4 3 0 4
2609 187 3 Te 5 5 1 1 1 F px 8.156 4 3 0 5
2610 187 3 Te 6 5 1 -1 2 F py 5.009 4 3 0 6
2611 187 3 Te 7 5 1 0 2 F pz 5.009 4 3 0 7
2612 187 3 Te 8 5 1 1 2 F px 5.009 4 3 0 8
2613 187 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 3 0 9
2614 187 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 3 0 10
2615 187 3 Te 11 5 2 0 1 T Pdz2 8.156 4 3 0 11
2616 187 3 Te 12 5 2 1 1 T Pdxz 8.156 4 3 0 12
2617 187 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 3 0 13
2618 188 3 Te 1 5 0 0 1 F s 6.195 4 3 0 14
2619 188 3 Te 2 5 0 0 2 F s 4.205 4 3 0 15
2620 188 3 Te 3 5 1 -1 1 F py 8.156 4 3 0 16
2621 188 3 Te 4 5 1 0 1 F pz 8.156 4 3 0 17
2622 188 3 Te 5 5 1 1 1 F px 8.156 4 3 0 18
2623 188 3 Te 6 5 1 -1 2 F py 5.009 4 3 0 19
2624 188 3 Te 7 5 1 0 2 F pz 5.009 4 3 0 20
2625 188 3 Te 8 5 1 1 2 F px 5.009 4 3 0 21
2626 188 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 3 0 22
2627 188 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 3 0 23
2628 188 3 Te 11 5 2 0 1 T Pdz2 8.156 4 3 0 24
2629 188 3 Te 12 5 2 1 1 T Pdxz 8.156 4 3 0 25
2630 188 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 3 0 26
2631 189 2 Ge 1 4 0 0 1 F s 6.581 4 3 0 27
2632 189 2 Ge 2 4 0 0 2 F s 4.412 4 3 0 28
2633 189 2 Ge 3 4 1 -1 1 F py 9.340 4 3 0 29
2634 189 2 Ge 4 4 1 0 1 F pz 9.340 4 3 0 30
2635 189 2 Ge 5 4 1 1 1 F px 9.340 4 3 0 31
2636 189 2 Ge 6 4 1 -1 2 F py 5.665 4 3 0 32
2637 189 2 Ge 7 4 1 0 2 F pz 5.665 4 3 0 33
2638 189 2 Ge 8 4 1 1 2 F px 5.665 4 3 0 34
2639 189 2 Ge 9 4 2 -2 1 T Pdxy 9.340 4 3 0 35
2640 189 2 Ge 10 4 2 -1 1 T Pdyz 9.340 4 3 0 36
2641 189 2 Ge 11 4 2 0 1 T Pdz2 9.340 4 3 0 37
2642 189 2 Ge 12 4 2 1 1 T Pdxz 9.340 4 3 0 38
2643 189 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 4 3 0 39
2644 190 1 Fe 1 4 0 0 1 F s 9.649 4 3 0 40
2645 190 1 Fe 2 4 0 0 2 F s 6.885 4 3 0 41
2646 190 1 Fe 3 3 2 -2 1 F dxy 6.632 4 3 0 42
2647 190 1 Fe 4 3 2 -1 1 F dyz 6.632 4 3 0 43
2648 190 1 Fe 5 3 2 0 1 F dz2 6.632 4 3 0 44
2649 190 1 Fe 6 3 2 1 1 F dxz 6.632 4 3 0 45
2650 190 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 3 0 46
2651 190 1 Fe 8 3 2 -2 2 F dxy 2.565 4 3 0 47
2652 190 1 Fe 9 3 2 -1 2 F dyz 2.565 4 3 0 48
2653 190 1 Fe 10 3 2 0 2 F dz2 2.565 4 3 0 49
2654 190 1 Fe 11 3 2 1 2 F dxz 2.565 4 3 0 50
2655 190 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 3 0 51
2656 190 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 3 0 52
2657 190 1 Fe 14 4 1 0 1 T Ppz 9.649 4 3 0 53
2658 190 1 Fe 15 4 1 1 1 T Ppx 9.649 4 3 0 54
2659 191 1 Fe 1 4 0 0 1 F s 9.649 4 3 0 55
2660 191 1 Fe 2 4 0 0 2 F s 6.885 4 3 0 56
2661 191 1 Fe 3 3 2 -2 1 F dxy 6.632 4 3 0 57
2662 191 1 Fe 4 3 2 -1 1 F dyz 6.632 4 3 0 58
2663 191 1 Fe 5 3 2 0 1 F dz2 6.632 4 3 0 59
2664 191 1 Fe 6 3 2 1 1 F dxz 6.632 4 3 0 60
2665 191 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 3 0 61
2666 191 1 Fe 8 3 2 -2 2 F dxy 2.565 4 3 0 62
2667 191 1 Fe 9 3 2 -1 2 F dyz 2.565 4 3 0 63
2668 191 1 Fe 10 3 2 0 2 F dz2 2.565 4 3 0 64
2669 191 1 Fe 11 3 2 1 2 F dxz 2.565 4 3 0 65
2670 191 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 3 0 66
2671 191 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 3 0 67
2672 191 1 Fe 14 4 1 0 1 T Ppz 9.649 4 3 0 68
2673 191 1 Fe 15 4 1 1 1 T Ppx 9.649 4 3 0 69
2674 192 1 Fe 1 4 0 0 1 F s 9.649 4 3 0 70
2675 192 1 Fe 2 4 0 0 2 F s 6.885 4 3 0 71
2676 192 1 Fe 3 3 2 -2 1 F dxy 6.632 4 3 0 72
2677 192 1 Fe 4 3 2 -1 1 F dyz 6.632 4 3 0 73
2678 192 1 Fe 5 3 2 0 1 F dz2 6.632 4 3 0 74
2679 192 1 Fe 6 3 2 1 1 F dxz 6.632 4 3 0 75
2680 192 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 3 0 76
2681 192 1 Fe 8 3 2 -2 2 F dxy 2.565 4 3 0 77
2682 192 1 Fe 9 3 2 -1 2 F dyz 2.565 4 3 0 78
2683 192 1 Fe 10 3 2 0 2 F dz2 2.565 4 3 0 79
2684 192 1 Fe 11 3 2 1 2 F dxz 2.565 4 3 0 80
2685 192 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 3 0 81
2686 192 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 3 0 82
2687 192 1 Fe 14 4 1 0 1 T Ppz 9.649 4 3 0 83
2688 192 1 Fe 15 4 1 1 1 T Ppx 9.649 4 3 0 84
2689 193 3 Te 1 5 0 0 1 F s 6.195 -4 3 0 1
2690 193 3 Te 2 5 0 0 2 F s 4.205 -4 3 0 2
2691 193 3 Te 3 5 1 -1 1 F py 8.156 -4 3 0 3
2692 193 3 Te 4 5 1 0 1 F pz 8.156 -4 3 0 4
2693 193 3 Te 5 5 1 1 1 F px 8.156 -4 3 0 5
2694 193 3 Te 6 5 1 -1 2 F py 5.009 -4 3 0 6
2695 193 3 Te 7 5 1 0 2 F pz 5.009 -4 3 0 7
2696 193 3 Te 8 5 1 1 2 F px 5.009 -4 3 0 8
2697 193 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 3 0 9
2698 193 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 3 0 10
2699 193 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 3 0 11
2700 193 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 3 0 12
2701 193 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 3 0 13
2702 194 3 Te 1 5 0 0 1 F s 6.195 -4 3 0 14
2703 194 3 Te 2 5 0 0 2 F s 4.205 -4 3 0 15
2704 194 3 Te 3 5 1 -1 1 F py 8.156 -4 3 0 16
2705 194 3 Te 4 5 1 0 1 F pz 8.156 -4 3 0 17
2706 194 3 Te 5 5 1 1 1 F px 8.156 -4 3 0 18
2707 194 3 Te 6 5 1 -1 2 F py 5.009 -4 3 0 19
2708 194 3 Te 7 5 1 0 2 F pz 5.009 -4 3 0 20
2709 194 3 Te 8 5 1 1 2 F px 5.009 -4 3 0 21
2710 194 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 3 0 22
2711 194 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 3 0 23
2712 194 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 3 0 24
2713 194 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 3 0 25
2714 194 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 3 0 26
2715 195 2 Ge 1 4 0 0 1 F s 6.581 -4 3 0 27
2716 195 2 Ge 2 4 0 0 2 F s 4.412 -4 3 0 28
2717 195 2 Ge 3 4 1 -1 1 F py 9.340 -4 3 0 29
2718 195 2 Ge 4 4 1 0 1 F pz 9.340 -4 3 0 30
2719 195 2 Ge 5 4 1 1 1 F px 9.340 -4 3 0 31
2720 195 2 Ge 6 4 1 -1 2 F py 5.665 -4 3 0 32
2721 195 2 Ge 7 4 1 0 2 F pz 5.665 -4 3 0 33
2722 195 2 Ge 8 4 1 1 2 F px 5.665 -4 3 0 34
2723 195 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -4 3 0 35
2724 195 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -4 3 0 36
2725 195 2 Ge 11 4 2 0 1 T Pdz2 9.340 -4 3 0 37
2726 195 2 Ge 12 4 2 1 1 T Pdxz 9.340 -4 3 0 38
2727 195 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -4 3 0 39
2728 196 1 Fe 1 4 0 0 1 F s 9.649 -4 3 0 40
2729 196 1 Fe 2 4 0 0 2 F s 6.885 -4 3 0 41
2730 196 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 3 0 42
2731 196 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 3 0 43
2732 196 1 Fe 5 3 2 0 1 F dz2 6.632 -4 3 0 44
2733 196 1 Fe 6 3 2 1 1 F dxz 6.632 -4 3 0 45
2734 196 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 3 0 46
2735 196 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 3 0 47
2736 196 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 3 0 48
2737 196 1 Fe 10 3 2 0 2 F dz2 2.565 -4 3 0 49
2738 196 1 Fe 11 3 2 1 2 F dxz 2.565 -4 3 0 50
2739 196 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 3 0 51
2740 196 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 3 0 52
2741 196 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 3 0 53
2742 196 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 3 0 54
2743 197 1 Fe 1 4 0 0 1 F s 9.649 -4 3 0 55
2744 197 1 Fe 2 4 0 0 2 F s 6.885 -4 3 0 56
2745 197 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 3 0 57
2746 197 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 3 0 58
2747 197 1 Fe 5 3 2 0 1 F dz2 6.632 -4 3 0 59
2748 197 1 Fe 6 3 2 1 1 F dxz 6.632 -4 3 0 60
2749 197 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 3 0 61
2750 197 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 3 0 62
2751 197 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 3 0 63
2752 197 1 Fe 10 3 2 0 2 F dz2 2.565 -4 3 0 64
2753 197 1 Fe 11 3 2 1 2 F dxz 2.565 -4 3 0 65
2754 197 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 3 0 66
2755 197 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 3 0 67
2756 197 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 3 0 68
2757 197 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 3 0 69
2758 198 1 Fe 1 4 0 0 1 F s 9.649 -4 3 0 70
2759 198 1 Fe 2 4 0 0 2 F s 6.885 -4 3 0 71
2760 198 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 3 0 72
2761 198 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 3 0 73
2762 198 1 Fe 5 3 2 0 1 F dz2 6.632 -4 3 0 74
2763 198 1 Fe 6 3 2 1 1 F dxz 6.632 -4 3 0 75
2764 198 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 3 0 76
2765 198 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 3 0 77
2766 198 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 3 0 78
2767 198 1 Fe 10 3 2 0 2 F dz2 2.565 -4 3 0 79
2768 198 1 Fe 11 3 2 1 2 F dxz 2.565 -4 3 0 80
2769 198 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 3 0 81
2770 198 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 3 0 82
2771 198 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 3 0 83
2772 198 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 3 0 84
2773 199 3 Te 1 5 0 0 1 F s 6.195 -3 3 0 1
2774 199 3 Te 2 5 0 0 2 F s 4.205 -3 3 0 2
2775 199 3 Te 3 5 1 -1 1 F py 8.156 -3 3 0 3
2776 199 3 Te 4 5 1 0 1 F pz 8.156 -3 3 0 4
2777 199 3 Te 5 5 1 1 1 F px 8.156 -3 3 0 5
2778 199 3 Te 6 5 1 -1 2 F py 5.009 -3 3 0 6
2779 199 3 Te 7 5 1 0 2 F pz 5.009 -3 3 0 7
2780 199 3 Te 8 5 1 1 2 F px 5.009 -3 3 0 8
2781 199 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 3 0 9
2782 199 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 3 0 10
2783 199 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 3 0 11
2784 199 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 3 0 12
2785 199 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 3 0 13
2786 200 3 Te 1 5 0 0 1 F s 6.195 -3 3 0 14
2787 200 3 Te 2 5 0 0 2 F s 4.205 -3 3 0 15
2788 200 3 Te 3 5 1 -1 1 F py 8.156 -3 3 0 16
2789 200 3 Te 4 5 1 0 1 F pz 8.156 -3 3 0 17
2790 200 3 Te 5 5 1 1 1 F px 8.156 -3 3 0 18
2791 200 3 Te 6 5 1 -1 2 F py 5.009 -3 3 0 19
2792 200 3 Te 7 5 1 0 2 F pz 5.009 -3 3 0 20
2793 200 3 Te 8 5 1 1 2 F px 5.009 -3 3 0 21
2794 200 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 3 0 22
2795 200 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 3 0 23
2796 200 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 3 0 24
2797 200 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 3 0 25
2798 200 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 3 0 26
2799 201 2 Ge 1 4 0 0 1 F s 6.581 -3 3 0 27
2800 201 2 Ge 2 4 0 0 2 F s 4.412 -3 3 0 28
2801 201 2 Ge 3 4 1 -1 1 F py 9.340 -3 3 0 29
2802 201 2 Ge 4 4 1 0 1 F pz 9.340 -3 3 0 30
2803 201 2 Ge 5 4 1 1 1 F px 9.340 -3 3 0 31
2804 201 2 Ge 6 4 1 -1 2 F py 5.665 -3 3 0 32
2805 201 2 Ge 7 4 1 0 2 F pz 5.665 -3 3 0 33
2806 201 2 Ge 8 4 1 1 2 F px 5.665 -3 3 0 34
2807 201 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -3 3 0 35
2808 201 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -3 3 0 36
2809 201 2 Ge 11 4 2 0 1 T Pdz2 9.340 -3 3 0 37
2810 201 2 Ge 12 4 2 1 1 T Pdxz 9.340 -3 3 0 38
2811 201 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -3 3 0 39
2812 202 1 Fe 1 4 0 0 1 F s 9.649 -3 3 0 40
2813 202 1 Fe 2 4 0 0 2 F s 6.885 -3 3 0 41
2814 202 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 3 0 42
2815 202 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 3 0 43
2816 202 1 Fe 5 3 2 0 1 F dz2 6.632 -3 3 0 44
2817 202 1 Fe 6 3 2 1 1 F dxz 6.632 -3 3 0 45
2818 202 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 3 0 46
2819 202 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 3 0 47
2820 202 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 3 0 48
2821 202 1 Fe 10 3 2 0 2 F dz2 2.565 -3 3 0 49
2822 202 1 Fe 11 3 2 1 2 F dxz 2.565 -3 3 0 50
2823 202 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 3 0 51
2824 202 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 3 0 52
2825 202 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 3 0 53
2826 202 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 3 0 54
2827 203 1 Fe 1 4 0 0 1 F s 9.649 -3 3 0 55
2828 203 1 Fe 2 4 0 0 2 F s 6.885 -3 3 0 56
2829 203 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 3 0 57
2830 203 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 3 0 58
2831 203 1 Fe 5 3 2 0 1 F dz2 6.632 -3 3 0 59
2832 203 1 Fe 6 3 2 1 1 F dxz 6.632 -3 3 0 60
2833 203 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 3 0 61
2834 203 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 3 0 62
2835 203 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 3 0 63
2836 203 1 Fe 10 3 2 0 2 F dz2 2.565 -3 3 0 64
2837 203 1 Fe 11 3 2 1 2 F dxz 2.565 -3 3 0 65
2838 203 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 3 0 66
2839 203 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 3 0 67
2840 203 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 3 0 68
2841 203 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 3 0 69
2842 204 1 Fe 1 4 0 0 1 F s 9.649 -3 3 0 70
2843 204 1 Fe 2 4 0 0 2 F s 6.885 -3 3 0 71
2844 204 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 3 0 72
2845 204 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 3 0 73
2846 204 1 Fe 5 3 2 0 1 F dz2 6.632 -3 3 0 74
2847 204 1 Fe 6 3 2 1 1 F dxz 6.632 -3 3 0 75
2848 204 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 3 0 76
2849 204 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 3 0 77
2850 204 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 3 0 78
2851 204 1 Fe 10 3 2 0 2 F dz2 2.565 -3 3 0 79
2852 204 1 Fe 11 3 2 1 2 F dxz 2.565 -3 3 0 80
2853 204 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 3 0 81
2854 204 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 3 0 82
2855 204 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 3 0 83
2856 204 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 3 0 84
2857 205 3 Te 1 5 0 0 1 F s 6.195 -2 3 0 1
2858 205 3 Te 2 5 0 0 2 F s 4.205 -2 3 0 2
2859 205 3 Te 3 5 1 -1 1 F py 8.156 -2 3 0 3
2860 205 3 Te 4 5 1 0 1 F pz 8.156 -2 3 0 4
2861 205 3 Te 5 5 1 1 1 F px 8.156 -2 3 0 5
2862 205 3 Te 6 5 1 -1 2 F py 5.009 -2 3 0 6
2863 205 3 Te 7 5 1 0 2 F pz 5.009 -2 3 0 7
2864 205 3 Te 8 5 1 1 2 F px 5.009 -2 3 0 8
2865 205 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 3 0 9
2866 205 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 3 0 10
2867 205 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 3 0 11
2868 205 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 3 0 12
2869 205 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 3 0 13
2870 206 3 Te 1 5 0 0 1 F s 6.195 -2 3 0 14
2871 206 3 Te 2 5 0 0 2 F s 4.205 -2 3 0 15
2872 206 3 Te 3 5 1 -1 1 F py 8.156 -2 3 0 16
2873 206 3 Te 4 5 1 0 1 F pz 8.156 -2 3 0 17
2874 206 3 Te 5 5 1 1 1 F px 8.156 -2 3 0 18
2875 206 3 Te 6 5 1 -1 2 F py 5.009 -2 3 0 19
2876 206 3 Te 7 5 1 0 2 F pz 5.009 -2 3 0 20
2877 206 3 Te 8 5 1 1 2 F px 5.009 -2 3 0 21
2878 206 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 3 0 22
2879 206 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 3 0 23
2880 206 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 3 0 24
2881 206 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 3 0 25
2882 206 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 3 0 26
2883 207 2 Ge 1 4 0 0 1 F s 6.581 -2 3 0 27
2884 207 2 Ge 2 4 0 0 2 F s 4.412 -2 3 0 28
2885 207 2 Ge 3 4 1 -1 1 F py 9.340 -2 3 0 29
2886 207 2 Ge 4 4 1 0 1 F pz 9.340 -2 3 0 30
2887 207 2 Ge 5 4 1 1 1 F px 9.340 -2 3 0 31
2888 207 2 Ge 6 4 1 -1 2 F py 5.665 -2 3 0 32
2889 207 2 Ge 7 4 1 0 2 F pz 5.665 -2 3 0 33
2890 207 2 Ge 8 4 1 1 2 F px 5.665 -2 3 0 34
2891 207 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -2 3 0 35
2892 207 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -2 3 0 36
2893 207 2 Ge 11 4 2 0 1 T Pdz2 9.340 -2 3 0 37
2894 207 2 Ge 12 4 2 1 1 T Pdxz 9.340 -2 3 0 38
2895 207 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -2 3 0 39
2896 208 1 Fe 1 4 0 0 1 F s 9.649 -2 3 0 40
2897 208 1 Fe 2 4 0 0 2 F s 6.885 -2 3 0 41
2898 208 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 3 0 42
2899 208 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 3 0 43
2900 208 1 Fe 5 3 2 0 1 F dz2 6.632 -2 3 0 44
2901 208 1 Fe 6 3 2 1 1 F dxz 6.632 -2 3 0 45
2902 208 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 3 0 46
2903 208 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 3 0 47
2904 208 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 3 0 48
2905 208 1 Fe 10 3 2 0 2 F dz2 2.565 -2 3 0 49
2906 208 1 Fe 11 3 2 1 2 F dxz 2.565 -2 3 0 50
2907 208 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 3 0 51
2908 208 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 3 0 52
2909 208 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 3 0 53
2910 208 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 3 0 54
2911 209 1 Fe 1 4 0 0 1 F s 9.649 -2 3 0 55
2912 209 1 Fe 2 4 0 0 2 F s 6.885 -2 3 0 56
2913 209 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 3 0 57
2914 209 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 3 0 58
2915 209 1 Fe 5 3 2 0 1 F dz2 6.632 -2 3 0 59
2916 209 1 Fe 6 3 2 1 1 F dxz 6.632 -2 3 0 60
2917 209 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 3 0 61
2918 209 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 3 0 62
2919 209 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 3 0 63
2920 209 1 Fe 10 3 2 0 2 F dz2 2.565 -2 3 0 64
2921 209 1 Fe 11 3 2 1 2 F dxz 2.565 -2 3 0 65
2922 209 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 3 0 66
2923 209 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 3 0 67
2924 209 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 3 0 68
2925 209 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 3 0 69
2926 210 1 Fe 1 4 0 0 1 F s 9.649 -2 3 0 70
2927 210 1 Fe 2 4 0 0 2 F s 6.885 -2 3 0 71
2928 210 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 3 0 72
2929 210 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 3 0 73
2930 210 1 Fe 5 3 2 0 1 F dz2 6.632 -2 3 0 74
2931 210 1 Fe 6 3 2 1 1 F dxz 6.632 -2 3 0 75
2932 210 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 3 0 76
2933 210 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 3 0 77
2934 210 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 3 0 78
2935 210 1 Fe 10 3 2 0 2 F dz2 2.565 -2 3 0 79
2936 210 1 Fe 11 3 2 1 2 F dxz 2.565 -2 3 0 80
2937 210 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 3 0 81
2938 210 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 3 0 82
2939 210 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 3 0 83
2940 210 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 3 0 84
2941 211 3 Te 1 5 0 0 1 F s 6.195 -1 3 0 1
2942 211 3 Te 2 5 0 0 2 F s 4.205 -1 3 0 2
2943 211 3 Te 3 5 1 -1 1 F py 8.156 -1 3 0 3
2944 211 3 Te 4 5 1 0 1 F pz 8.156 -1 3 0 4
2945 211 3 Te 5 5 1 1 1 F px 8.156 -1 3 0 5
2946 211 3 Te 6 5 1 -1 2 F py 5.009 -1 3 0 6
2947 211 3 Te 7 5 1 0 2 F pz 5.009 -1 3 0 7
2948 211 3 Te 8 5 1 1 2 F px 5.009 -1 3 0 8
2949 211 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 3 0 9
2950 211 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 3 0 10
2951 211 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 3 0 11
2952 211 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 3 0 12
2953 211 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 3 0 13
2954 212 3 Te 1 5 0 0 1 F s 6.195 -1 3 0 14
2955 212 3 Te 2 5 0 0 2 F s 4.205 -1 3 0 15
2956 212 3 Te 3 5 1 -1 1 F py 8.156 -1 3 0 16
2957 212 3 Te 4 5 1 0 1 F pz 8.156 -1 3 0 17
2958 212 3 Te 5 5 1 1 1 F px 8.156 -1 3 0 18
2959 212 3 Te 6 5 1 -1 2 F py 5.009 -1 3 0 19
2960 212 3 Te 7 5 1 0 2 F pz 5.009 -1 3 0 20
2961 212 3 Te 8 5 1 1 2 F px 5.009 -1 3 0 21
2962 212 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 3 0 22
2963 212 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 3 0 23
2964 212 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 3 0 24
2965 212 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 3 0 25
2966 212 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 3 0 26
2967 213 2 Ge 1 4 0 0 1 F s 6.581 -1 3 0 27
2968 213 2 Ge 2 4 0 0 2 F s 4.412 -1 3 0 28
2969 213 2 Ge 3 4 1 -1 1 F py 9.340 -1 3 0 29
2970 213 2 Ge 4 4 1 0 1 F pz 9.340 -1 3 0 30
2971 213 2 Ge 5 4 1 1 1 F px 9.340 -1 3 0 31
2972 213 2 Ge 6 4 1 -1 2 F py 5.665 -1 3 0 32
2973 213 2 Ge 7 4 1 0 2 F pz 5.665 -1 3 0 33
2974 213 2 Ge 8 4 1 1 2 F px 5.665 -1 3 0 34
2975 213 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -1 3 0 35
2976 213 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -1 3 0 36
2977 213 2 Ge 11 4 2 0 1 T Pdz2 9.340 -1 3 0 37
2978 213 2 Ge 12 4 2 1 1 T Pdxz 9.340 -1 3 0 38
2979 213 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -1 3 0 39
2980 214 1 Fe 1 4 0 0 1 F s 9.649 -1 3 0 40
2981 214 1 Fe 2 4 0 0 2 F s 6.885 -1 3 0 41
2982 214 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 3 0 42
2983 214 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 3 0 43
2984 214 1 Fe 5 3 2 0 1 F dz2 6.632 -1 3 0 44
2985 214 1 Fe 6 3 2 1 1 F dxz 6.632 -1 3 0 45
2986 214 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 3 0 46
2987 214 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 3 0 47
2988 214 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 3 0 48
2989 214 1 Fe 10 3 2 0 2 F dz2 2.565 -1 3 0 49
2990 214 1 Fe 11 3 2 1 2 F dxz 2.565 -1 3 0 50
2991 214 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 3 0 51
2992 214 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 3 0 52
2993 214 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 3 0 53
2994 214 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 3 0 54
2995 215 1 Fe 1 4 0 0 1 F s 9.649 -1 3 0 55
2996 215 1 Fe 2 4 0 0 2 F s 6.885 -1 3 0 56
2997 215 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 3 0 57
2998 215 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 3 0 58
2999 215 1 Fe 5 3 2 0 1 F dz2 6.632 -1 3 0 59
3000 215 1 Fe 6 3 2 1 1 F dxz 6.632 -1 3 0 60
3001 215 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 3 0 61
3002 215 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 3 0 62
3003 215 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 3 0 63
3004 215 1 Fe 10 3 2 0 2 F dz2 2.565 -1 3 0 64
3005 215 1 Fe 11 3 2 1 2 F dxz 2.565 -1 3 0 65
3006 215 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 3 0 66
3007 215 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 3 0 67
3008 215 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 3 0 68
3009 215 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 3 0 69
3010 216 1 Fe 1 4 0 0 1 F s 9.649 -1 3 0 70
3011 216 1 Fe 2 4 0 0 2 F s 6.885 -1 3 0 71
3012 216 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 3 0 72
3013 216 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 3 0 73
3014 216 1 Fe 5 3 2 0 1 F dz2 6.632 -1 3 0 74
3015 216 1 Fe 6 3 2 1 1 F dxz 6.632 -1 3 0 75
3016 216 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 3 0 76
3017 216 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 3 0 77
3018 216 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 3 0 78
3019 216 1 Fe 10 3 2 0 2 F dz2 2.565 -1 3 0 79
3020 216 1 Fe 11 3 2 1 2 F dxz 2.565 -1 3 0 80
3021 216 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 3 0 81
3022 216 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 3 0 82
3023 216 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 3 0 83
3024 216 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 3 0 84
3025 217 3 Te 1 5 0 0 1 F s 6.195 0 4 0 1
3026 217 3 Te 2 5 0 0 2 F s 4.205 0 4 0 2
3027 217 3 Te 3 5 1 -1 1 F py 8.156 0 4 0 3
3028 217 3 Te 4 5 1 0 1 F pz 8.156 0 4 0 4
3029 217 3 Te 5 5 1 1 1 F px 8.156 0 4 0 5
3030 217 3 Te 6 5 1 -1 2 F py 5.009 0 4 0 6
3031 217 3 Te 7 5 1 0 2 F pz 5.009 0 4 0 7
3032 217 3 Te 8 5 1 1 2 F px 5.009 0 4 0 8
3033 217 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 4 0 9
3034 217 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 4 0 10
3035 217 3 Te 11 5 2 0 1 T Pdz2 8.156 0 4 0 11
3036 217 3 Te 12 5 2 1 1 T Pdxz 8.156 0 4 0 12
3037 217 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 4 0 13
3038 218 3 Te 1 5 0 0 1 F s 6.195 0 4 0 14
3039 218 3 Te 2 5 0 0 2 F s 4.205 0 4 0 15
3040 218 3 Te 3 5 1 -1 1 F py 8.156 0 4 0 16
3041 218 3 Te 4 5 1 0 1 F pz 8.156 0 4 0 17
3042 218 3 Te 5 5 1 1 1 F px 8.156 0 4 0 18
3043 218 3 Te 6 5 1 -1 2 F py 5.009 0 4 0 19
3044 218 3 Te 7 5 1 0 2 F pz 5.009 0 4 0 20
3045 218 3 Te 8 5 1 1 2 F px 5.009 0 4 0 21
3046 218 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 4 0 22
3047 218 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 4 0 23
3048 218 3 Te 11 5 2 0 1 T Pdz2 8.156 0 4 0 24
3049 218 3 Te 12 5 2 1 1 T Pdxz 8.156 0 4 0 25
3050 218 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 4 0 26
3051 219 2 Ge 1 4 0 0 1 F s 6.581 0 4 0 27
3052 219 2 Ge 2 4 0 0 2 F s 4.412 0 4 0 28
3053 219 2 Ge 3 4 1 -1 1 F py 9.340 0 4 0 29
3054 219 2 Ge 4 4 1 0 1 F pz 9.340 0 4 0 30
3055 219 2 Ge 5 4 1 1 1 F px 9.340 0 4 0 31
3056 219 2 Ge 6 4 1 -1 2 F py 5.665 0 4 0 32
3057 219 2 Ge 7 4 1 0 2 F pz 5.665 0 4 0 33
3058 219 2 Ge 8 4 1 1 2 F px 5.665 0 4 0 34
3059 219 2 Ge 9 4 2 -2 1 T Pdxy 9.340 0 4 0 35
3060 219 2 Ge 10 4 2 -1 1 T Pdyz 9.340 0 4 0 36
3061 219 2 Ge 11 4 2 0 1 T Pdz2 9.340 0 4 0 37
3062 219 2 Ge 12 4 2 1 1 T Pdxz 9.340 0 4 0 38
3063 219 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 0 4 0 39
3064 220 1 Fe 1 4 0 0 1 F s 9.649 0 4 0 40
3065 220 1 Fe 2 4 0 0 2 F s 6.885 0 4 0 41
3066 220 1 Fe 3 3 2 -2 1 F dxy 6.632 0 4 0 42
3067 220 1 Fe 4 3 2 -1 1 F dyz 6.632 0 4 0 43
3068 220 1 Fe 5 3 2 0 1 F dz2 6.632 0 4 0 44
3069 220 1 Fe 6 3 2 1 1 F dxz 6.632 0 4 0 45
3070 220 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 4 0 46
3071 220 1 Fe 8 3 2 -2 2 F dxy 2.565 0 4 0 47
3072 220 1 Fe 9 3 2 -1 2 F dyz 2.565 0 4 0 48
3073 220 1 Fe 10 3 2 0 2 F dz2 2.565 0 4 0 49
3074 220 1 Fe 11 3 2 1 2 F dxz 2.565 0 4 0 50
3075 220 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 4 0 51
3076 220 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 4 0 52
3077 220 1 Fe 14 4 1 0 1 T Ppz 9.649 0 4 0 53
3078 220 1 Fe 15 4 1 1 1 T Ppx 9.649 0 4 0 54
3079 221 1 Fe 1 4 0 0 1 F s 9.649 0 4 0 55
3080 221 1 Fe 2 4 0 0 2 F s 6.885 0 4 0 56
3081 221 1 Fe 3 3 2 -2 1 F dxy 6.632 0 4 0 57
3082 221 1 Fe 4 3 2 -1 1 F dyz 6.632 0 4 0 58
3083 221 1 Fe 5 3 2 0 1 F dz2 6.632 0 4 0 59
3084 221 1 Fe 6 3 2 1 1 F dxz 6.632 0 4 0 60
3085 221 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 4 0 61
3086 221 1 Fe 8 3 2 -2 2 F dxy 2.565 0 4 0 62
3087 221 1 Fe 9 3 2 -1 2 F dyz 2.565 0 4 0 63
3088 221 1 Fe 10 3 2 0 2 F dz2 2.565 0 4 0 64
3089 221 1 Fe 11 3 2 1 2 F dxz 2.565 0 4 0 65
3090 221 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 4 0 66
3091 221 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 4 0 67
3092 221 1 Fe 14 4 1 0 1 T Ppz 9.649 0 4 0 68
3093 221 1 Fe 15 4 1 1 1 T Ppx 9.649 0 4 0 69
3094 222 1 Fe 1 4 0 0 1 F s 9.649 0 4 0 70
3095 222 1 Fe 2 4 0 0 2 F s 6.885 0 4 0 71
3096 222 1 Fe 3 3 2 -2 1 F dxy 6.632 0 4 0 72
3097 222 1 Fe 4 3 2 -1 1 F dyz 6.632 0 4 0 73
3098 222 1 Fe 5 3 2 0 1 F dz2 6.632 0 4 0 74
3099 222 1 Fe 6 3 2 1 1 F dxz 6.632 0 4 0 75
3100 222 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 4 0 76
3101 222 1 Fe 8 3 2 -2 2 F dxy 2.565 0 4 0 77
3102 222 1 Fe 9 3 2 -1 2 F dyz 2.565 0 4 0 78
3103 222 1 Fe 10 3 2 0 2 F dz2 2.565 0 4 0 79
3104 222 1 Fe 11 3 2 1 2 F dxz 2.565 0 4 0 80
3105 222 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 4 0 81
3106 222 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 4 0 82
3107 222 1 Fe 14 4 1 0 1 T Ppz 9.649 0 4 0 83
3108 222 1 Fe 15 4 1 1 1 T Ppx 9.649 0 4 0 84
3109 223 3 Te 1 5 0 0 1 F s 6.195 1 4 0 1
3110 223 3 Te 2 5 0 0 2 F s 4.205 1 4 0 2
3111 223 3 Te 3 5 1 -1 1 F py 8.156 1 4 0 3
3112 223 3 Te 4 5 1 0 1 F pz 8.156 1 4 0 4
3113 223 3 Te 5 5 1 1 1 F px 8.156 1 4 0 5
3114 223 3 Te 6 5 1 -1 2 F py 5.009 1 4 0 6
3115 223 3 Te 7 5 1 0 2 F pz 5.009 1 4 0 7
3116 223 3 Te 8 5 1 1 2 F px 5.009 1 4 0 8
3117 223 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 4 0 9
3118 223 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 4 0 10
3119 223 3 Te 11 5 2 0 1 T Pdz2 8.156 1 4 0 11
3120 223 3 Te 12 5 2 1 1 T Pdxz 8.156 1 4 0 12
3121 223 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 4 0 13
3122 224 3 Te 1 5 0 0 1 F s 6.195 1 4 0 14
3123 224 3 Te 2 5 0 0 2 F s 4.205 1 4 0 15
3124 224 3 Te 3 5 1 -1 1 F py 8.156 1 4 0 16
3125 224 3 Te 4 5 1 0 1 F pz 8.156 1 4 0 17
3126 224 3 Te 5 5 1 1 1 F px 8.156 1 4 0 18
3127 224 3 Te 6 5 1 -1 2 F py 5.009 1 4 0 19
3128 224 3 Te 7 5 1 0 2 F pz 5.009 1 4 0 20
3129 224 3 Te 8 5 1 1 2 F px 5.009 1 4 0 21
3130 224 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 4 0 22
3131 224 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 4 0 23
3132 224 3 Te 11 5 2 0 1 T Pdz2 8.156 1 4 0 24
3133 224 3 Te 12 5 2 1 1 T Pdxz 8.156 1 4 0 25
3134 224 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 4 0 26
3135 225 2 Ge 1 4 0 0 1 F s 6.581 1 4 0 27
3136 225 2 Ge 2 4 0 0 2 F s 4.412 1 4 0 28
3137 225 2 Ge 3 4 1 -1 1 F py 9.340 1 4 0 29
3138 225 2 Ge 4 4 1 0 1 F pz 9.340 1 4 0 30
3139 225 2 Ge 5 4 1 1 1 F px 9.340 1 4 0 31
3140 225 2 Ge 6 4 1 -1 2 F py 5.665 1 4 0 32
3141 225 2 Ge 7 4 1 0 2 F pz 5.665 1 4 0 33
3142 225 2 Ge 8 4 1 1 2 F px 5.665 1 4 0 34
3143 225 2 Ge 9 4 2 -2 1 T Pdxy 9.340 1 4 0 35
3144 225 2 Ge 10 4 2 -1 1 T Pdyz 9.340 1 4 0 36
3145 225 2 Ge 11 4 2 0 1 T Pdz2 9.340 1 4 0 37
3146 225 2 Ge 12 4 2 1 1 T Pdxz 9.340 1 4 0 38
3147 225 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 1 4 0 39
3148 226 1 Fe 1 4 0 0 1 F s 9.649 1 4 0 40
3149 226 1 Fe 2 4 0 0 2 F s 6.885 1 4 0 41
3150 226 1 Fe 3 3 2 -2 1 F dxy 6.632 1 4 0 42
3151 226 1 Fe 4 3 2 -1 1 F dyz 6.632 1 4 0 43
3152 226 1 Fe 5 3 2 0 1 F dz2 6.632 1 4 0 44
3153 226 1 Fe 6 3 2 1 1 F dxz 6.632 1 4 0 45
3154 226 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 4 0 46
3155 226 1 Fe 8 3 2 -2 2 F dxy 2.565 1 4 0 47
3156 226 1 Fe 9 3 2 -1 2 F dyz 2.565 1 4 0 48
3157 226 1 Fe 10 3 2 0 2 F dz2 2.565 1 4 0 49
3158 226 1 Fe 11 3 2 1 2 F dxz 2.565 1 4 0 50
3159 226 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 4 0 51
3160 226 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 4 0 52
3161 226 1 Fe 14 4 1 0 1 T Ppz 9.649 1 4 0 53
3162 226 1 Fe 15 4 1 1 1 T Ppx 9.649 1 4 0 54
3163 227 1 Fe 1 4 0 0 1 F s 9.649 1 4 0 55
3164 227 1 Fe 2 4 0 0 2 F s 6.885 1 4 0 56
3165 227 1 Fe 3 3 2 -2 1 F dxy 6.632 1 4 0 57
3166 227 1 Fe 4 3 2 -1 1 F dyz 6.632 1 4 0 58
3167 227 1 Fe 5 3 2 0 1 F dz2 6.632 1 4 0 59
3168 227 1 Fe 6 3 2 1 1 F dxz 6.632 1 4 0 60
3169 227 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 4 0 61
3170 227 1 Fe 8 3 2 -2 2 F dxy 2.565 1 4 0 62
3171 227 1 Fe 9 3 2 -1 2 F dyz 2.565 1 4 0 63
3172 227 1 Fe 10 3 2 0 2 F dz2 2.565 1 4 0 64
3173 227 1 Fe 11 3 2 1 2 F dxz 2.565 1 4 0 65
3174 227 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 4 0 66
3175 227 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 4 0 67
3176 227 1 Fe 14 4 1 0 1 T Ppz 9.649 1 4 0 68
3177 227 1 Fe 15 4 1 1 1 T Ppx 9.649 1 4 0 69
3178 228 1 Fe 1 4 0 0 1 F s 9.649 1 4 0 70
3179 228 1 Fe 2 4 0 0 2 F s 6.885 1 4 0 71
3180 228 1 Fe 3 3 2 -2 1 F dxy 6.632 1 4 0 72
3181 228 1 Fe 4 3 2 -1 1 F dyz 6.632 1 4 0 73
3182 228 1 Fe 5 3 2 0 1 F dz2 6.632 1 4 0 74
3183 228 1 Fe 6 3 2 1 1 F dxz 6.632 1 4 0 75
3184 228 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 4 0 76
3185 228 1 Fe 8 3 2 -2 2 F dxy 2.565 1 4 0 77
3186 228 1 Fe 9 3 2 -1 2 F dyz 2.565 1 4 0 78
3187 228 1 Fe 10 3 2 0 2 F dz2 2.565 1 4 0 79
3188 228 1 Fe 11 3 2 1 2 F dxz 2.565 1 4 0 80
3189 228 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 4 0 81
3190 228 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 4 0 82
3191 228 1 Fe 14 4 1 0 1 T Ppz 9.649 1 4 0 83
3192 228 1 Fe 15 4 1 1 1 T Ppx 9.649 1 4 0 84
3193 229 3 Te 1 5 0 0 1 F s 6.195 2 4 0 1
3194 229 3 Te 2 5 0 0 2 F s 4.205 2 4 0 2
3195 229 3 Te 3 5 1 -1 1 F py 8.156 2 4 0 3
3196 229 3 Te 4 5 1 0 1 F pz 8.156 2 4 0 4
3197 229 3 Te 5 5 1 1 1 F px 8.156 2 4 0 5
3198 229 3 Te 6 5 1 -1 2 F py 5.009 2 4 0 6
3199 229 3 Te 7 5 1 0 2 F pz 5.009 2 4 0 7
3200 229 3 Te 8 5 1 1 2 F px 5.009 2 4 0 8
3201 229 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 4 0 9
3202 229 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 4 0 10
3203 229 3 Te 11 5 2 0 1 T Pdz2 8.156 2 4 0 11
3204 229 3 Te 12 5 2 1 1 T Pdxz 8.156 2 4 0 12
3205 229 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 4 0 13
3206 230 3 Te 1 5 0 0 1 F s 6.195 2 4 0 14
3207 230 3 Te 2 5 0 0 2 F s 4.205 2 4 0 15
3208 230 3 Te 3 5 1 -1 1 F py 8.156 2 4 0 16
3209 230 3 Te 4 5 1 0 1 F pz 8.156 2 4 0 17
3210 230 3 Te 5 5 1 1 1 F px 8.156 2 4 0 18
3211 230 3 Te 6 5 1 -1 2 F py 5.009 2 4 0 19
3212 230 3 Te 7 5 1 0 2 F pz 5.009 2 4 0 20
3213 230 3 Te 8 5 1 1 2 F px 5.009 2 4 0 21
3214 230 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 4 0 22
3215 230 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 4 0 23
3216 230 3 Te 11 5 2 0 1 T Pdz2 8.156 2 4 0 24
3217 230 3 Te 12 5 2 1 1 T Pdxz 8.156 2 4 0 25
3218 230 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 4 0 26
3219 231 2 Ge 1 4 0 0 1 F s 6.581 2 4 0 27
3220 231 2 Ge 2 4 0 0 2 F s 4.412 2 4 0 28
3221 231 2 Ge 3 4 1 -1 1 F py 9.340 2 4 0 29
3222 231 2 Ge 4 4 1 0 1 F pz 9.340 2 4 0 30
3223 231 2 Ge 5 4 1 1 1 F px 9.340 2 4 0 31
3224 231 2 Ge 6 4 1 -1 2 F py 5.665 2 4 0 32
3225 231 2 Ge 7 4 1 0 2 F pz 5.665 2 4 0 33
3226 231 2 Ge 8 4 1 1 2 F px 5.665 2 4 0 34
3227 231 2 Ge 9 4 2 -2 1 T Pdxy 9.340 2 4 0 35
3228 231 2 Ge 10 4 2 -1 1 T Pdyz 9.340 2 4 0 36
3229 231 2 Ge 11 4 2 0 1 T Pdz2 9.340 2 4 0 37
3230 231 2 Ge 12 4 2 1 1 T Pdxz 9.340 2 4 0 38
3231 231 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 2 4 0 39
3232 232 1 Fe 1 4 0 0 1 F s 9.649 2 4 0 40
3233 232 1 Fe 2 4 0 0 2 F s 6.885 2 4 0 41
3234 232 1 Fe 3 3 2 -2 1 F dxy 6.632 2 4 0 42
3235 232 1 Fe 4 3 2 -1 1 F dyz 6.632 2 4 0 43
3236 232 1 Fe 5 3 2 0 1 F dz2 6.632 2 4 0 44
3237 232 1 Fe 6 3 2 1 1 F dxz 6.632 2 4 0 45
3238 232 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 4 0 46
3239 232 1 Fe 8 3 2 -2 2 F dxy 2.565 2 4 0 47
3240 232 1 Fe 9 3 2 -1 2 F dyz 2.565 2 4 0 48
3241 232 1 Fe 10 3 2 0 2 F dz2 2.565 2 4 0 49
3242 232 1 Fe 11 3 2 1 2 F dxz 2.565 2 4 0 50
3243 232 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 4 0 51
3244 232 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 4 0 52
3245 232 1 Fe 14 4 1 0 1 T Ppz 9.649 2 4 0 53
3246 232 1 Fe 15 4 1 1 1 T Ppx 9.649 2 4 0 54
3247 233 1 Fe 1 4 0 0 1 F s 9.649 2 4 0 55
3248 233 1 Fe 2 4 0 0 2 F s 6.885 2 4 0 56
3249 233 1 Fe 3 3 2 -2 1 F dxy 6.632 2 4 0 57
3250 233 1 Fe 4 3 2 -1 1 F dyz 6.632 2 4 0 58
3251 233 1 Fe 5 3 2 0 1 F dz2 6.632 2 4 0 59
3252 233 1 Fe 6 3 2 1 1 F dxz 6.632 2 4 0 60
3253 233 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 4 0 61
3254 233 1 Fe 8 3 2 -2 2 F dxy 2.565 2 4 0 62
3255 233 1 Fe 9 3 2 -1 2 F dyz 2.565 2 4 0 63
3256 233 1 Fe 10 3 2 0 2 F dz2 2.565 2 4 0 64
3257 233 1 Fe 11 3 2 1 2 F dxz 2.565 2 4 0 65
3258 233 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 4 0 66
3259 233 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 4 0 67
3260 233 1 Fe 14 4 1 0 1 T Ppz 9.649 2 4 0 68
3261 233 1 Fe 15 4 1 1 1 T Ppx 9.649 2 4 0 69
3262 234 1 Fe 1 4 0 0 1 F s 9.649 2 4 0 70
3263 234 1 Fe 2 4 0 0 2 F s 6.885 2 4 0 71
3264 234 1 Fe 3 3 2 -2 1 F dxy 6.632 2 4 0 72
3265 234 1 Fe 4 3 2 -1 1 F dyz 6.632 2 4 0 73
3266 234 1 Fe 5 3 2 0 1 F dz2 6.632 2 4 0 74
3267 234 1 Fe 6 3 2 1 1 F dxz 6.632 2 4 0 75
3268 234 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 4 0 76
3269 234 1 Fe 8 3 2 -2 2 F dxy 2.565 2 4 0 77
3270 234 1 Fe 9 3 2 -1 2 F dyz 2.565 2 4 0 78
3271 234 1 Fe 10 3 2 0 2 F dz2 2.565 2 4 0 79
3272 234 1 Fe 11 3 2 1 2 F dxz 2.565 2 4 0 80
3273 234 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 4 0 81
3274 234 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 4 0 82
3275 234 1 Fe 14 4 1 0 1 T Ppz 9.649 2 4 0 83
3276 234 1 Fe 15 4 1 1 1 T Ppx 9.649 2 4 0 84
3277 235 3 Te 1 5 0 0 1 F s 6.195 3 4 0 1
3278 235 3 Te 2 5 0 0 2 F s 4.205 3 4 0 2
3279 235 3 Te 3 5 1 -1 1 F py 8.156 3 4 0 3
3280 235 3 Te 4 5 1 0 1 F pz 8.156 3 4 0 4
3281 235 3 Te 5 5 1 1 1 F px 8.156 3 4 0 5
3282 235 3 Te 6 5 1 -1 2 F py 5.009 3 4 0 6
3283 235 3 Te 7 5 1 0 2 F pz 5.009 3 4 0 7
3284 235 3 Te 8 5 1 1 2 F px 5.009 3 4 0 8
3285 235 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 4 0 9
3286 235 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 4 0 10
3287 235 3 Te 11 5 2 0 1 T Pdz2 8.156 3 4 0 11
3288 235 3 Te 12 5 2 1 1 T Pdxz 8.156 3 4 0 12
3289 235 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 4 0 13
3290 236 3 Te 1 5 0 0 1 F s 6.195 3 4 0 14
3291 236 3 Te 2 5 0 0 2 F s 4.205 3 4 0 15
3292 236 3 Te 3 5 1 -1 1 F py 8.156 3 4 0 16
3293 236 3 Te 4 5 1 0 1 F pz 8.156 3 4 0 17
3294 236 3 Te 5 5 1 1 1 F px 8.156 3 4 0 18
3295 236 3 Te 6 5 1 -1 2 F py 5.009 3 4 0 19
3296 236 3 Te 7 5 1 0 2 F pz 5.009 3 4 0 20
3297 236 3 Te 8 5 1 1 2 F px 5.009 3 4 0 21
3298 236 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 4 0 22
3299 236 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 4 0 23
3300 236 3 Te 11 5 2 0 1 T Pdz2 8.156 3 4 0 24
3301 236 3 Te 12 5 2 1 1 T Pdxz 8.156 3 4 0 25
3302 236 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 4 0 26
3303 237 2 Ge 1 4 0 0 1 F s 6.581 3 4 0 27
3304 237 2 Ge 2 4 0 0 2 F s 4.412 3 4 0 28
3305 237 2 Ge 3 4 1 -1 1 F py 9.340 3 4 0 29
3306 237 2 Ge 4 4 1 0 1 F pz 9.340 3 4 0 30
3307 237 2 Ge 5 4 1 1 1 F px 9.340 3 4 0 31
3308 237 2 Ge 6 4 1 -1 2 F py 5.665 3 4 0 32
3309 237 2 Ge 7 4 1 0 2 F pz 5.665 3 4 0 33
3310 237 2 Ge 8 4 1 1 2 F px 5.665 3 4 0 34
3311 237 2 Ge 9 4 2 -2 1 T Pdxy 9.340 3 4 0 35
3312 237 2 Ge 10 4 2 -1 1 T Pdyz 9.340 3 4 0 36
3313 237 2 Ge 11 4 2 0 1 T Pdz2 9.340 3 4 0 37
3314 237 2 Ge 12 4 2 1 1 T Pdxz 9.340 3 4 0 38
3315 237 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 3 4 0 39
3316 238 1 Fe 1 4 0 0 1 F s 9.649 3 4 0 40
3317 238 1 Fe 2 4 0 0 2 F s 6.885 3 4 0 41
3318 238 1 Fe 3 3 2 -2 1 F dxy 6.632 3 4 0 42
3319 238 1 Fe 4 3 2 -1 1 F dyz 6.632 3 4 0 43
3320 238 1 Fe 5 3 2 0 1 F dz2 6.632 3 4 0 44
3321 238 1 Fe 6 3 2 1 1 F dxz 6.632 3 4 0 45
3322 238 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 4 0 46
3323 238 1 Fe 8 3 2 -2 2 F dxy 2.565 3 4 0 47
3324 238 1 Fe 9 3 2 -1 2 F dyz 2.565 3 4 0 48
3325 238 1 Fe 10 3 2 0 2 F dz2 2.565 3 4 0 49
3326 238 1 Fe 11 3 2 1 2 F dxz 2.565 3 4 0 50
3327 238 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 4 0 51
3328 238 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 4 0 52
3329 238 1 Fe 14 4 1 0 1 T Ppz 9.649 3 4 0 53
3330 238 1 Fe 15 4 1 1 1 T Ppx 9.649 3 4 0 54
3331 239 1 Fe 1 4 0 0 1 F s 9.649 3 4 0 55
3332 239 1 Fe 2 4 0 0 2 F s 6.885 3 4 0 56
3333 239 1 Fe 3 3 2 -2 1 F dxy 6.632 3 4 0 57
3334 239 1 Fe 4 3 2 -1 1 F dyz 6.632 3 4 0 58
3335 239 1 Fe 5 3 2 0 1 F dz2 6.632 3 4 0 59
3336 239 1 Fe 6 3 2 1 1 F dxz 6.632 3 4 0 60
3337 239 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 4 0 61
3338 239 1 Fe 8 3 2 -2 2 F dxy 2.565 3 4 0 62
3339 239 1 Fe 9 3 2 -1 2 F dyz 2.565 3 4 0 63
3340 239 1 Fe 10 3 2 0 2 F dz2 2.565 3 4 0 64
3341 239 1 Fe 11 3 2 1 2 F dxz 2.565 3 4 0 65
3342 239 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 4 0 66
3343 239 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 4 0 67
3344 239 1 Fe 14 4 1 0 1 T Ppz 9.649 3 4 0 68
3345 239 1 Fe 15 4 1 1 1 T Ppx 9.649 3 4 0 69
3346 240 1 Fe 1 4 0 0 1 F s 9.649 3 4 0 70
3347 240 1 Fe 2 4 0 0 2 F s 6.885 3 4 0 71
3348 240 1 Fe 3 3 2 -2 1 F dxy 6.632 3 4 0 72
3349 240 1 Fe 4 3 2 -1 1 F dyz 6.632 3 4 0 73
3350 240 1 Fe 5 3 2 0 1 F dz2 6.632 3 4 0 74
3351 240 1 Fe 6 3 2 1 1 F dxz 6.632 3 4 0 75
3352 240 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 4 0 76
3353 240 1 Fe 8 3 2 -2 2 F dxy 2.565 3 4 0 77
3354 240 1 Fe 9 3 2 -1 2 F dyz 2.565 3 4 0 78
3355 240 1 Fe 10 3 2 0 2 F dz2 2.565 3 4 0 79
3356 240 1 Fe 11 3 2 1 2 F dxz 2.565 3 4 0 80
3357 240 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 4 0 81
3358 240 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 4 0 82
3359 240 1 Fe 14 4 1 0 1 T Ppz 9.649 3 4 0 83
3360 240 1 Fe 15 4 1 1 1 T Ppx 9.649 3 4 0 84
3361 241 3 Te 1 5 0 0 1 F s 6.195 4 4 0 1
3362 241 3 Te 2 5 0 0 2 F s 4.205 4 4 0 2
3363 241 3 Te 3 5 1 -1 1 F py 8.156 4 4 0 3
3364 241 3 Te 4 5 1 0 1 F pz 8.156 4 4 0 4
3365 241 3 Te 5 5 1 1 1 F px 8.156 4 4 0 5
3366 241 3 Te 6 5 1 -1 2 F py 5.009 4 4 0 6
3367 241 3 Te 7 5 1 0 2 F pz 5.009 4 4 0 7
3368 241 3 Te 8 5 1 1 2 F px 5.009 4 4 0 8
3369 241 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 4 0 9
3370 241 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 4 0 10
3371 241 3 Te 11 5 2 0 1 T Pdz2 8.156 4 4 0 11
3372 241 3 Te 12 5 2 1 1 T Pdxz 8.156 4 4 0 12
3373 241 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 4 0 13
3374 242 3 Te 1 5 0 0 1 F s 6.195 4 4 0 14
3375 242 3 Te 2 5 0 0 2 F s 4.205 4 4 0 15
3376 242 3 Te 3 5 1 -1 1 F py 8.156 4 4 0 16
3377 242 3 Te 4 5 1 0 1 F pz 8.156 4 4 0 17
3378 242 3 Te 5 5 1 1 1 F px 8.156 4 4 0 18
3379 242 3 Te 6 5 1 -1 2 F py 5.009 4 4 0 19
3380 242 3 Te 7 5 1 0 2 F pz 5.009 4 4 0 20
3381 242 3 Te 8 5 1 1 2 F px 5.009 4 4 0 21
3382 242 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 4 0 22
3383 242 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 4 0 23
3384 242 3 Te 11 5 2 0 1 T Pdz2 8.156 4 4 0 24
3385 242 3 Te 12 5 2 1 1 T Pdxz 8.156 4 4 0 25
3386 242 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 4 0 26
3387 243 2 Ge 1 4 0 0 1 F s 6.581 4 4 0 27
3388 243 2 Ge 2 4 0 0 2 F s 4.412 4 4 0 28
3389 243 2 Ge 3 4 1 -1 1 F py 9.340 4 4 0 29
3390 243 2 Ge 4 4 1 0 1 F pz 9.340 4 4 0 30
3391 243 2 Ge 5 4 1 1 1 F px 9.340 4 4 0 31
3392 243 2 Ge 6 4 1 -1 2 F py 5.665 4 4 0 32
3393 243 2 Ge 7 4 1 0 2 F pz 5.665 4 4 0 33
3394 243 2 Ge 8 4 1 1 2 F px 5.665 4 4 0 34
3395 243 2 Ge 9 4 2 -2 1 T Pdxy 9.340 4 4 0 35
3396 243 2 Ge 10 4 2 -1 1 T Pdyz 9.340 4 4 0 36
3397 243 2 Ge 11 4 2 0 1 T Pdz2 9.340 4 4 0 37
3398 243 2 Ge 12 4 2 1 1 T Pdxz 9.340 4 4 0 38
3399 243 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 4 4 0 39
3400 244 1 Fe 1 4 0 0 1 F s 9.649 4 4 0 40
3401 244 1 Fe 2 4 0 0 2 F s 6.885 4 4 0 41
3402 244 1 Fe 3 3 2 -2 1 F dxy 6.632 4 4 0 42
3403 244 1 Fe 4 3 2 -1 1 F dyz 6.632 4 4 0 43
3404 244 1 Fe 5 3 2 0 1 F dz2 6.632 4 4 0 44
3405 244 1 Fe 6 3 2 1 1 F dxz 6.632 4 4 0 45
3406 244 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 4 0 46
3407 244 1 Fe 8 3 2 -2 2 F dxy 2.565 4 4 0 47
3408 244 1 Fe 9 3 2 -1 2 F dyz 2.565 4 4 0 48
3409 244 1 Fe 10 3 2 0 2 F dz2 2.565 4 4 0 49
3410 244 1 Fe 11 3 2 1 2 F dxz 2.565 4 4 0 50
3411 244 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 4 0 51
3412 244 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 4 0 52
3413 244 1 Fe 14 4 1 0 1 T Ppz 9.649 4 4 0 53
3414 244 1 Fe 15 4 1 1 1 T Ppx 9.649 4 4 0 54
3415 245 1 Fe 1 4 0 0 1 F s 9.649 4 4 0 55
3416 245 1 Fe 2 4 0 0 2 F s 6.885 4 4 0 56
3417 245 1 Fe 3 3 2 -2 1 F dxy 6.632 4 4 0 57
3418 245 1 Fe 4 3 2 -1 1 F dyz 6.632 4 4 0 58
3419 245 1 Fe 5 3 2 0 1 F dz2 6.632 4 4 0 59
3420 245 1 Fe 6 3 2 1 1 F dxz 6.632 4 4 0 60
3421 245 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 4 0 61
3422 245 1 Fe 8 3 2 -2 2 F dxy 2.565 4 4 0 62
3423 245 1 Fe 9 3 2 -1 2 F dyz 2.565 4 4 0 63
3424 245 1 Fe 10 3 2 0 2 F dz2 2.565 4 4 0 64
3425 245 1 Fe 11 3 2 1 2 F dxz 2.565 4 4 0 65
3426 245 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 4 0 66
3427 245 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 4 0 67
3428 245 1 Fe 14 4 1 0 1 T Ppz 9.649 4 4 0 68
3429 245 1 Fe 15 4 1 1 1 T Ppx 9.649 4 4 0 69
3430 246 1 Fe 1 4 0 0 1 F s 9.649 4 4 0 70
3431 246 1 Fe 2 4 0 0 2 F s 6.885 4 4 0 71
3432 246 1 Fe 3 3 2 -2 1 F dxy 6.632 4 4 0 72
3433 246 1 Fe 4 3 2 -1 1 F dyz 6.632 4 4 0 73
3434 246 1 Fe 5 3 2 0 1 F dz2 6.632 4 4 0 74
3435 246 1 Fe 6 3 2 1 1 F dxz 6.632 4 4 0 75
3436 246 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 4 0 76
3437 246 1 Fe 8 3 2 -2 2 F dxy 2.565 4 4 0 77
3438 246 1 Fe 9 3 2 -1 2 F dyz 2.565 4 4 0 78
3439 246 1 Fe 10 3 2 0 2 F dz2 2.565 4 4 0 79
3440 246 1 Fe 11 3 2 1 2 F dxz 2.565 4 4 0 80
3441 246 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 4 0 81
3442 246 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 4 0 82
3443 246 1 Fe 14 4 1 0 1 T Ppz 9.649 4 4 0 83
3444 246 1 Fe 15 4 1 1 1 T Ppx 9.649 4 4 0 84
3445 247 3 Te 1 5 0 0 1 F s 6.195 -4 4 0 1
3446 247 3 Te 2 5 0 0 2 F s 4.205 -4 4 0 2
3447 247 3 Te 3 5 1 -1 1 F py 8.156 -4 4 0 3
3448 247 3 Te 4 5 1 0 1 F pz 8.156 -4 4 0 4
3449 247 3 Te 5 5 1 1 1 F px 8.156 -4 4 0 5
3450 247 3 Te 6 5 1 -1 2 F py 5.009 -4 4 0 6
3451 247 3 Te 7 5 1 0 2 F pz 5.009 -4 4 0 7
3452 247 3 Te 8 5 1 1 2 F px 5.009 -4 4 0 8
3453 247 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 4 0 9
3454 247 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 4 0 10
3455 247 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 4 0 11
3456 247 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 4 0 12
3457 247 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 4 0 13
3458 248 3 Te 1 5 0 0 1 F s 6.195 -4 4 0 14
3459 248 3 Te 2 5 0 0 2 F s 4.205 -4 4 0 15
3460 248 3 Te 3 5 1 -1 1 F py 8.156 -4 4 0 16
3461 248 3 Te 4 5 1 0 1 F pz 8.156 -4 4 0 17
3462 248 3 Te 5 5 1 1 1 F px 8.156 -4 4 0 18
3463 248 3 Te 6 5 1 -1 2 F py 5.009 -4 4 0 19
3464 248 3 Te 7 5 1 0 2 F pz 5.009 -4 4 0 20
3465 248 3 Te 8 5 1 1 2 F px 5.009 -4 4 0 21
3466 248 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 4 0 22
3467 248 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 4 0 23
3468 248 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 4 0 24
3469 248 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 4 0 25
3470 248 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 4 0 26
3471 249 2 Ge 1 4 0 0 1 F s 6.581 -4 4 0 27
3472 249 2 Ge 2 4 0 0 2 F s 4.412 -4 4 0 28
3473 249 2 Ge 3 4 1 -1 1 F py 9.340 -4 4 0 29
3474 249 2 Ge 4 4 1 0 1 F pz 9.340 -4 4 0 30
3475 249 2 Ge 5 4 1 1 1 F px 9.340 -4 4 0 31
3476 249 2 Ge 6 4 1 -1 2 F py 5.665 -4 4 0 32
3477 249 2 Ge 7 4 1 0 2 F pz 5.665 -4 4 0 33
3478 249 2 Ge 8 4 1 1 2 F px 5.665 -4 4 0 34
3479 249 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -4 4 0 35
3480 249 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -4 4 0 36
3481 249 2 Ge 11 4 2 0 1 T Pdz2 9.340 -4 4 0 37
3482 249 2 Ge 12 4 2 1 1 T Pdxz 9.340 -4 4 0 38
3483 249 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -4 4 0 39
3484 250 1 Fe 1 4 0 0 1 F s 9.649 -4 4 0 40
3485 250 1 Fe 2 4 0 0 2 F s 6.885 -4 4 0 41
3486 250 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 4 0 42
3487 250 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 4 0 43
3488 250 1 Fe 5 3 2 0 1 F dz2 6.632 -4 4 0 44
3489 250 1 Fe 6 3 2 1 1 F dxz 6.632 -4 4 0 45
3490 250 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 4 0 46
3491 250 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 4 0 47
3492 250 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 4 0 48
3493 250 1 Fe 10 3 2 0 2 F dz2 2.565 -4 4 0 49
3494 250 1 Fe 11 3 2 1 2 F dxz 2.565 -4 4 0 50
3495 250 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 4 0 51
3496 250 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 4 0 52
3497 250 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 4 0 53
3498 250 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 4 0 54
3499 251 1 Fe 1 4 0 0 1 F s 9.649 -4 4 0 55
3500 251 1 Fe 2 4 0 0 2 F s 6.885 -4 4 0 56
3501 251 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 4 0 57
3502 251 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 4 0 58
3503 251 1 Fe 5 3 2 0 1 F dz2 6.632 -4 4 0 59
3504 251 1 Fe 6 3 2 1 1 F dxz 6.632 -4 4 0 60
3505 251 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 4 0 61
3506 251 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 4 0 62
3507 251 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 4 0 63
3508 251 1 Fe 10 3 2 0 2 F dz2 2.565 -4 4 0 64
3509 251 1 Fe 11 3 2 1 2 F dxz 2.565 -4 4 0 65
3510 251 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 4 0 66
3511 251 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 4 0 67
3512 251 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 4 0 68
3513 251 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 4 0 69
3514 252 1 Fe 1 4 0 0 1 F s 9.649 -4 4 0 70
3515 252 1 Fe 2 4 0 0 2 F s 6.885 -4 4 0 71
3516 252 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 4 0 72
3517 252 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 4 0 73
3518 252 1 Fe 5 3 2 0 1 F dz2 6.632 -4 4 0 74
3519 252 1 Fe 6 3 2 1 1 F dxz 6.632 -4 4 0 75
3520 252 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 4 0 76
3521 252 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 4 0 77
3522 252 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 4 0 78
3523 252 1 Fe 10 3 2 0 2 F dz2 2.565 -4 4 0 79
3524 252 1 Fe 11 3 2 1 2 F dxz 2.565 -4 4 0 80
3525 252 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 4 0 81
3526 252 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 4 0 82
3527 252 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 4 0 83
3528 252 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 4 0 84
3529 253 3 Te 1 5 0 0 1 F s 6.195 -3 4 0 1
3530 253 3 Te 2 5 0 0 2 F s 4.205 -3 4 0 2
3531 253 3 Te 3 5 1 -1 1 F py 8.156 -3 4 0 3
3532 253 3 Te 4 5 1 0 1 F pz 8.156 -3 4 0 4
3533 253 3 Te 5 5 1 1 1 F px 8.156 -3 4 0 5
3534 253 3 Te 6 5 1 -1 2 F py 5.009 -3 4 0 6
3535 253 3 Te 7 5 1 0 2 F pz 5.009 -3 4 0 7
3536 253 3 Te 8 5 1 1 2 F px 5.009 -3 4 0 8
3537 253 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 4 0 9
3538 253 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 4 0 10
3539 253 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 4 0 11
3540 253 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 4 0 12
3541 253 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 4 0 13
3542 254 3 Te 1 5 0 0 1 F s 6.195 -3 4 0 14
3543 254 3 Te 2 5 0 0 2 F s 4.205 -3 4 0 15
3544 254 3 Te 3 5 1 -1 1 F py 8.156 -3 4 0 16
3545 254 3 Te 4 5 1 0 1 F pz 8.156 -3 4 0 17
3546 254 3 Te 5 5 1 1 1 F px 8.156 -3 4 0 18
3547 254 3 Te 6 5 1 -1 2 F py 5.009 -3 4 0 19
3548 254 3 Te 7 5 1 0 2 F pz 5.009 -3 4 0 20
3549 254 3 Te 8 5 1 1 2 F px 5.009 -3 4 0 21
3550 254 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 4 0 22
3551 254 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 4 0 23
3552 254 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 4 0 24
3553 254 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 4 0 25
3554 254 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 4 0 26
3555 255 2 Ge 1 4 0 0 1 F s 6.581 -3 4 0 27
3556 255 2 Ge 2 4 0 0 2 F s 4.412 -3 4 0 28
3557 255 2 Ge 3 4 1 -1 1 F py 9.340 -3 4 0 29
3558 255 2 Ge 4 4 1 0 1 F pz 9.340 -3 4 0 30
3559 255 2 Ge 5 4 1 1 1 F px 9.340 -3 4 0 31
3560 255 2 Ge 6 4 1 -1 2 F py 5.665 -3 4 0 32
3561 255 2 Ge 7 4 1 0 2 F pz 5.665 -3 4 0 33
3562 255 2 Ge 8 4 1 1 2 F px 5.665 -3 4 0 34
3563 255 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -3 4 0 35
3564 255 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -3 4 0 36
3565 255 2 Ge 11 4 2 0 1 T Pdz2 9.340 -3 4 0 37
3566 255 2 Ge 12 4 2 1 1 T Pdxz 9.340 -3 4 0 38
3567 255 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -3 4 0 39
3568 256 1 Fe 1 4 0 0 1 F s 9.649 -3 4 0 40
3569 256 1 Fe 2 4 0 0 2 F s 6.885 -3 4 0 41
3570 256 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 4 0 42
3571 256 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 4 0 43
3572 256 1 Fe 5 3 2 0 1 F dz2 6.632 -3 4 0 44
3573 256 1 Fe 6 3 2 1 1 F dxz 6.632 -3 4 0 45
3574 256 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 4 0 46
3575 256 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 4 0 47
3576 256 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 4 0 48
3577 256 1 Fe 10 3 2 0 2 F dz2 2.565 -3 4 0 49
3578 256 1 Fe 11 3 2 1 2 F dxz 2.565 -3 4 0 50
3579 256 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 4 0 51
3580 256 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 4 0 52
3581 256 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 4 0 53
3582 256 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 4 0 54
3583 257 1 Fe 1 4 0 0 1 F s 9.649 -3 4 0 55
3584 257 1 Fe 2 4 0 0 2 F s 6.885 -3 4 0 56
3585 257 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 4 0 57
3586 257 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 4 0 58
3587 257 1 Fe 5 3 2 0 1 F dz2 6.632 -3 4 0 59
3588 257 1 Fe 6 3 2 1 1 F dxz 6.632 -3 4 0 60
3589 257 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 4 0 61
3590 257 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 4 0 62
3591 257 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 4 0 63
3592 257 1 Fe 10 3 2 0 2 F dz2 2.565 -3 4 0 64
3593 257 1 Fe 11 3 2 1 2 F dxz 2.565 -3 4 0 65
3594 257 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 4 0 66
3595 257 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 4 0 67
3596 257 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 4 0 68
3597 257 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 4 0 69
3598 258 1 Fe 1 4 0 0 1 F s 9.649 -3 4 0 70
3599 258 1 Fe 2 4 0 0 2 F s 6.885 -3 4 0 71
3600 258 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 4 0 72
3601 258 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 4 0 73
3602 258 1 Fe 5 3 2 0 1 F dz2 6.632 -3 4 0 74
3603 258 1 Fe 6 3 2 1 1 F dxz 6.632 -3 4 0 75
3604 258 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 4 0 76
3605 258 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 4 0 77
3606 258 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 4 0 78
3607 258 1 Fe 10 3 2 0 2 F dz2 2.565 -3 4 0 79
3608 258 1 Fe 11 3 2 1 2 F dxz 2.565 -3 4 0 80
3609 258 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 4 0 81
3610 258 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 4 0 82
3611 258 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 4 0 83
3612 258 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 4 0 84
3613 259 3 Te 1 5 0 0 1 F s 6.195 -2 4 0 1
3614 259 3 Te 2 5 0 0 2 F s 4.205 -2 4 0 2
3615 259 3 Te 3 5 1 -1 1 F py 8.156 -2 4 0 3
3616 259 3 Te 4 5 1 0 1 F pz 8.156 -2 4 0 4
3617 259 3 Te 5 5 1 1 1 F px 8.156 -2 4 0 5
3618 259 3 Te 6 5 1 -1 2 F py 5.009 -2 4 0 6
3619 259 3 Te 7 5 1 0 2 F pz 5.009 -2 4 0 7
3620 259 3 Te 8 5 1 1 2 F px 5.009 -2 4 0 8
3621 259 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 4 0 9
3622 259 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 4 0 10
3623 259 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 4 0 11
3624 259 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 4 0 12
3625 259 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 4 0 13
3626 260 3 Te 1 5 0 0 1 F s 6.195 -2 4 0 14
3627 260 3 Te 2 5 0 0 2 F s 4.205 -2 4 0 15
3628 260 3 Te 3 5 1 -1 1 F py 8.156 -2 4 0 16
3629 260 3 Te 4 5 1 0 1 F pz 8.156 -2 4 0 17
3630 260 3 Te 5 5 1 1 1 F px 8.156 -2 4 0 18
3631 260 3 Te 6 5 1 -1 2 F py 5.009 -2 4 0 19
3632 260 3 Te 7 5 1 0 2 F pz 5.009 -2 4 0 20
3633 260 3 Te 8 5 1 1 2 F px 5.009 -2 4 0 21
3634 260 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 4 0 22
3635 260 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 4 0 23
3636 260 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 4 0 24
3637 260 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 4 0 25
3638 260 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 4 0 26
3639 261 2 Ge 1 4 0 0 1 F s 6.581 -2 4 0 27
3640 261 2 Ge 2 4 0 0 2 F s 4.412 -2 4 0 28
3641 261 2 Ge 3 4 1 -1 1 F py 9.340 -2 4 0 29
3642 261 2 Ge 4 4 1 0 1 F pz 9.340 -2 4 0 30
3643 261 2 Ge 5 4 1 1 1 F px 9.340 -2 4 0 31
3644 261 2 Ge 6 4 1 -1 2 F py 5.665 -2 4 0 32
3645 261 2 Ge 7 4 1 0 2 F pz 5.665 -2 4 0 33
3646 261 2 Ge 8 4 1 1 2 F px 5.665 -2 4 0 34
3647 261 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -2 4 0 35
3648 261 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -2 4 0 36
3649 261 2 Ge 11 4 2 0 1 T Pdz2 9.340 -2 4 0 37
3650 261 2 Ge 12 4 2 1 1 T Pdxz 9.340 -2 4 0 38
3651 261 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -2 4 0 39
3652 262 1 Fe 1 4 0 0 1 F s 9.649 -2 4 0 40
3653 262 1 Fe 2 4 0 0 2 F s 6.885 -2 4 0 41
3654 262 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 4 0 42
3655 262 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 4 0 43
3656 262 1 Fe 5 3 2 0 1 F dz2 6.632 -2 4 0 44
3657 262 1 Fe 6 3 2 1 1 F dxz 6.632 -2 4 0 45
3658 262 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 4 0 46
3659 262 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 4 0 47
3660 262 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 4 0 48
3661 262 1 Fe 10 3 2 0 2 F dz2 2.565 -2 4 0 49
3662 262 1 Fe 11 3 2 1 2 F dxz 2.565 -2 4 0 50
3663 262 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 4 0 51
3664 262 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 4 0 52
3665 262 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 4 0 53
3666 262 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 4 0 54
3667 263 1 Fe 1 4 0 0 1 F s 9.649 -2 4 0 55
3668 263 1 Fe 2 4 0 0 2 F s 6.885 -2 4 0 56
3669 263 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 4 0 57
3670 263 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 4 0 58
3671 263 1 Fe 5 3 2 0 1 F dz2 6.632 -2 4 0 59
3672 263 1 Fe 6 3 2 1 1 F dxz 6.632 -2 4 0 60
3673 263 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 4 0 61
3674 263 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 4 0 62
3675 263 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 4 0 63
3676 263 1 Fe 10 3 2 0 2 F dz2 2.565 -2 4 0 64
3677 263 1 Fe 11 3 2 1 2 F dxz 2.565 -2 4 0 65
3678 263 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 4 0 66
3679 263 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 4 0 67
3680 263 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 4 0 68
3681 263 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 4 0 69
3682 264 1 Fe 1 4 0 0 1 F s 9.649 -2 4 0 70
3683 264 1 Fe 2 4 0 0 2 F s 6.885 -2 4 0 71
3684 264 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 4 0 72
3685 264 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 4 0 73
3686 264 1 Fe 5 3 2 0 1 F dz2 6.632 -2 4 0 74
3687 264 1 Fe 6 3 2 1 1 F dxz 6.632 -2 4 0 75
3688 264 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 4 0 76
3689 264 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 4 0 77
3690 264 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 4 0 78
3691 264 1 Fe 10 3 2 0 2 F dz2 2.565 -2 4 0 79
3692 264 1 Fe 11 3 2 1 2 F dxz 2.565 -2 4 0 80
3693 264 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 4 0 81
3694 264 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 4 0 82
3695 264 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 4 0 83
3696 264 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 4 0 84
3697 265 3 Te 1 5 0 0 1 F s 6.195 -1 4 0 1
3698 265 3 Te 2 5 0 0 2 F s 4.205 -1 4 0 2
3699 265 3 Te 3 5 1 -1 1 F py 8.156 -1 4 0 3
3700 265 3 Te 4 5 1 0 1 F pz 8.156 -1 4 0 4
3701 265 3 Te 5 5 1 1 1 F px 8.156 -1 4 0 5
3702 265 3 Te 6 5 1 -1 2 F py 5.009 -1 4 0 6
3703 265 3 Te 7 5 1 0 2 F pz 5.009 -1 4 0 7
3704 265 3 Te 8 5 1 1 2 F px 5.009 -1 4 0 8
3705 265 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 4 0 9
3706 265 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 4 0 10
3707 265 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 4 0 11
3708 265 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 4 0 12
3709 265 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 4 0 13
3710 266 3 Te 1 5 0 0 1 F s 6.195 -1 4 0 14
3711 266 3 Te 2 5 0 0 2 F s 4.205 -1 4 0 15
3712 266 3 Te 3 5 1 -1 1 F py 8.156 -1 4 0 16
3713 266 3 Te 4 5 1 0 1 F pz 8.156 -1 4 0 17
3714 266 3 Te 5 5 1 1 1 F px 8.156 -1 4 0 18
3715 266 3 Te 6 5 1 -1 2 F py 5.009 -1 4 0 19
3716 266 3 Te 7 5 1 0 2 F pz 5.009 -1 4 0 20
3717 266 3 Te 8 5 1 1 2 F px 5.009 -1 4 0 21
3718 266 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 4 0 22
3719 266 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 4 0 23
3720 266 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 4 0 24
3721 266 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 4 0 25
3722 266 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 4 0 26
3723 267 2 Ge 1 4 0 0 1 F s 6.581 -1 4 0 27
3724 267 2 Ge 2 4 0 0 2 F s 4.412 -1 4 0 28
3725 267 2 Ge 3 4 1 -1 1 F py 9.340 -1 4 0 29
3726 267 2 Ge 4 4 1 0 1 F pz 9.340 -1 4 0 30
3727 267 2 Ge 5 4 1 1 1 F px 9.340 -1 4 0 31
3728 267 2 Ge 6 4 1 -1 2 F py 5.665 -1 4 0 32
3729 267 2 Ge 7 4 1 0 2 F pz 5.665 -1 4 0 33
3730 267 2 Ge 8 4 1 1 2 F px 5.665 -1 4 0 34
3731 267 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -1 4 0 35
3732 267 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -1 4 0 36
3733 267 2 Ge 11 4 2 0 1 T Pdz2 9.340 -1 4 0 37
3734 267 2 Ge 12 4 2 1 1 T Pdxz 9.340 -1 4 0 38
3735 267 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -1 4 0 39
3736 268 1 Fe 1 4 0 0 1 F s 9.649 -1 4 0 40
3737 268 1 Fe 2 4 0 0 2 F s 6.885 -1 4 0 41
3738 268 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 4 0 42
3739 268 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 4 0 43
3740 268 1 Fe 5 3 2 0 1 F dz2 6.632 -1 4 0 44
3741 268 1 Fe 6 3 2 1 1 F dxz 6.632 -1 4 0 45
3742 268 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 4 0 46
3743 268 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 4 0 47
3744 268 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 4 0 48
3745 268 1 Fe 10 3 2 0 2 F dz2 2.565 -1 4 0 49
3746 268 1 Fe 11 3 2 1 2 F dxz 2.565 -1 4 0 50
3747 268 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 4 0 51
3748 268 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 4 0 52
3749 268 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 4 0 53
3750 268 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 4 0 54
3751 269 1 Fe 1 4 0 0 1 F s 9.649 -1 4 0 55
3752 269 1 Fe 2 4 0 0 2 F s 6.885 -1 4 0 56
3753 269 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 4 0 57
3754 269 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 4 0 58
3755 269 1 Fe 5 3 2 0 1 F dz2 6.632 -1 4 0 59
3756 269 1 Fe 6 3 2 1 1 F dxz 6.632 -1 4 0 60
3757 269 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 4 0 61
3758 269 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 4 0 62
3759 269 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 4 0 63
3760 269 1 Fe 10 3 2 0 2 F dz2 2.565 -1 4 0 64
3761 269 1 Fe 11 3 2 1 2 F dxz 2.565 -1 4 0 65
3762 269 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 4 0 66
3763 269 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 4 0 67
3764 269 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 4 0 68
3765 269 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 4 0 69
3766 270 1 Fe 1 4 0 0 1 F s 9.649 -1 4 0 70
3767 270 1 Fe 2 4 0 0 2 F s 6.885 -1 4 0 71
3768 270 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 4 0 72
3769 270 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 4 0 73
3770 270 1 Fe 5 3 2 0 1 F dz2 6.632 -1 4 0 74
3771 270 1 Fe 6 3 2 1 1 F dxz 6.632 -1 4 0 75
3772 270 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 4 0 76
3773 270 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 4 0 77
3774 270 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 4 0 78
3775 270 1 Fe 10 3 2 0 2 F dz2 2.565 -1 4 0 79
3776 270 1 Fe 11 3 2 1 2 F dxz 2.565 -1 4 0 80
3777 270 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 4 0 81
3778 270 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 4 0 82
3779 270 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 4 0 83
3780 270 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 4 0 84
3781 271 3 Te 1 5 0 0 1 F s 6.195 0 -4 0 1
3782 271 3 Te 2 5 0 0 2 F s 4.205 0 -4 0 2
3783 271 3 Te 3 5 1 -1 1 F py 8.156 0 -4 0 3
3784 271 3 Te 4 5 1 0 1 F pz 8.156 0 -4 0 4
3785 271 3 Te 5 5 1 1 1 F px 8.156 0 -4 0 5
3786 271 3 Te 6 5 1 -1 2 F py 5.009 0 -4 0 6
3787 271 3 Te 7 5 1 0 2 F pz 5.009 0 -4 0 7
3788 271 3 Te 8 5 1 1 2 F px 5.009 0 -4 0 8
3789 271 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 -4 0 9
3790 271 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 -4 0 10
3791 271 3 Te 11 5 2 0 1 T Pdz2 8.156 0 -4 0 11
3792 271 3 Te 12 5 2 1 1 T Pdxz 8.156 0 -4 0 12
3793 271 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 -4 0 13
3794 272 3 Te 1 5 0 0 1 F s 6.195 0 -4 0 14
3795 272 3 Te 2 5 0 0 2 F s 4.205 0 -4 0 15
3796 272 3 Te 3 5 1 -1 1 F py 8.156 0 -4 0 16
3797 272 3 Te 4 5 1 0 1 F pz 8.156 0 -4 0 17
3798 272 3 Te 5 5 1 1 1 F px 8.156 0 -4 0 18
3799 272 3 Te 6 5 1 -1 2 F py 5.009 0 -4 0 19
3800 272 3 Te 7 5 1 0 2 F pz 5.009 0 -4 0 20
3801 272 3 Te 8 5 1 1 2 F px 5.009 0 -4 0 21
3802 272 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 -4 0 22
3803 272 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 -4 0 23
3804 272 3 Te 11 5 2 0 1 T Pdz2 8.156 0 -4 0 24
3805 272 3 Te 12 5 2 1 1 T Pdxz 8.156 0 -4 0 25
3806 272 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 -4 0 26
3807 273 2 Ge 1 4 0 0 1 F s 6.581 0 -4 0 27
3808 273 2 Ge 2 4 0 0 2 F s 4.412 0 -4 0 28
3809 273 2 Ge 3 4 1 -1 1 F py 9.340 0 -4 0 29
3810 273 2 Ge 4 4 1 0 1 F pz 9.340 0 -4 0 30
3811 273 2 Ge 5 4 1 1 1 F px 9.340 0 -4 0 31
3812 273 2 Ge 6 4 1 -1 2 F py 5.665 0 -4 0 32
3813 273 2 Ge 7 4 1 0 2 F pz 5.665 0 -4 0 33
3814 273 2 Ge 8 4 1 1 2 F px 5.665 0 -4 0 34
3815 273 2 Ge 9 4 2 -2 1 T Pdxy 9.340 0 -4 0 35
3816 273 2 Ge 10 4 2 -1 1 T Pdyz 9.340 0 -4 0 36
3817 273 2 Ge 11 4 2 0 1 T Pdz2 9.340 0 -4 0 37
3818 273 2 Ge 12 4 2 1 1 T Pdxz 9.340 0 -4 0 38
3819 273 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 0 -4 0 39
3820 274 1 Fe 1 4 0 0 1 F s 9.649 0 -4 0 40
3821 274 1 Fe 2 4 0 0 2 F s 6.885 0 -4 0 41
3822 274 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -4 0 42
3823 274 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -4 0 43
3824 274 1 Fe 5 3 2 0 1 F dz2 6.632 0 -4 0 44
3825 274 1 Fe 6 3 2 1 1 F dxz 6.632 0 -4 0 45
3826 274 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -4 0 46
3827 274 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -4 0 47
3828 274 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -4 0 48
3829 274 1 Fe 10 3 2 0 2 F dz2 2.565 0 -4 0 49
3830 274 1 Fe 11 3 2 1 2 F dxz 2.565 0 -4 0 50
3831 274 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -4 0 51
3832 274 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -4 0 52
3833 274 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -4 0 53
3834 274 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -4 0 54
3835 275 1 Fe 1 4 0 0 1 F s 9.649 0 -4 0 55
3836 275 1 Fe 2 4 0 0 2 F s 6.885 0 -4 0 56
3837 275 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -4 0 57
3838 275 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -4 0 58
3839 275 1 Fe 5 3 2 0 1 F dz2 6.632 0 -4 0 59
3840 275 1 Fe 6 3 2 1 1 F dxz 6.632 0 -4 0 60
3841 275 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -4 0 61
3842 275 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -4 0 62
3843 275 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -4 0 63
3844 275 1 Fe 10 3 2 0 2 F dz2 2.565 0 -4 0 64
3845 275 1 Fe 11 3 2 1 2 F dxz 2.565 0 -4 0 65
3846 275 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -4 0 66
3847 275 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -4 0 67
3848 275 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -4 0 68
3849 275 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -4 0 69
3850 276 1 Fe 1 4 0 0 1 F s 9.649 0 -4 0 70
3851 276 1 Fe 2 4 0 0 2 F s 6.885 0 -4 0 71
3852 276 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -4 0 72
3853 276 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -4 0 73
3854 276 1 Fe 5 3 2 0 1 F dz2 6.632 0 -4 0 74
3855 276 1 Fe 6 3 2 1 1 F dxz 6.632 0 -4 0 75
3856 276 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -4 0 76
3857 276 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -4 0 77
3858 276 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -4 0 78
3859 276 1 Fe 10 3 2 0 2 F dz2 2.565 0 -4 0 79
3860 276 1 Fe 11 3 2 1 2 F dxz 2.565 0 -4 0 80
3861 276 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -4 0 81
3862 276 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -4 0 82
3863 276 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -4 0 83
3864 276 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -4 0 84
3865 277 3 Te 1 5 0 0 1 F s 6.195 1 -4 0 1
3866 277 3 Te 2 5 0 0 2 F s 4.205 1 -4 0 2
3867 277 3 Te 3 5 1 -1 1 F py 8.156 1 -4 0 3
3868 277 3 Te 4 5 1 0 1 F pz 8.156 1 -4 0 4
3869 277 3 Te 5 5 1 1 1 F px 8.156 1 -4 0 5
3870 277 3 Te 6 5 1 -1 2 F py 5.009 1 -4 0 6
3871 277 3 Te 7 5 1 0 2 F pz 5.009 1 -4 0 7
3872 277 3 Te 8 5 1 1 2 F px 5.009 1 -4 0 8
3873 277 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 -4 0 9
3874 277 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 -4 0 10
3875 277 3 Te 11 5 2 0 1 T Pdz2 8.156 1 -4 0 11
3876 277 3 Te 12 5 2 1 1 T Pdxz 8.156 1 -4 0 12
3877 277 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 -4 0 13
3878 278 3 Te 1 5 0 0 1 F s 6.195 1 -4 0 14
3879 278 3 Te 2 5 0 0 2 F s 4.205 1 -4 0 15
3880 278 3 Te 3 5 1 -1 1 F py 8.156 1 -4 0 16
3881 278 3 Te 4 5 1 0 1 F pz 8.156 1 -4 0 17
3882 278 3 Te 5 5 1 1 1 F px 8.156 1 -4 0 18
3883 278 3 Te 6 5 1 -1 2 F py 5.009 1 -4 0 19
3884 278 3 Te 7 5 1 0 2 F pz 5.009 1 -4 0 20
3885 278 3 Te 8 5 1 1 2 F px 5.009 1 -4 0 21
3886 278 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 -4 0 22
3887 278 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 -4 0 23
3888 278 3 Te 11 5 2 0 1 T Pdz2 8.156 1 -4 0 24
3889 278 3 Te 12 5 2 1 1 T Pdxz 8.156 1 -4 0 25
3890 278 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 -4 0 26
3891 279 2 Ge 1 4 0 0 1 F s 6.581 1 -4 0 27
3892 279 2 Ge 2 4 0 0 2 F s 4.412 1 -4 0 28
3893 279 2 Ge 3 4 1 -1 1 F py 9.340 1 -4 0 29
3894 279 2 Ge 4 4 1 0 1 F pz 9.340 1 -4 0 30
3895 279 2 Ge 5 4 1 1 1 F px 9.340 1 -4 0 31
3896 279 2 Ge 6 4 1 -1 2 F py 5.665 1 -4 0 32
3897 279 2 Ge 7 4 1 0 2 F pz 5.665 1 -4 0 33
3898 279 2 Ge 8 4 1 1 2 F px 5.665 1 -4 0 34
3899 279 2 Ge 9 4 2 -2 1 T Pdxy 9.340 1 -4 0 35
3900 279 2 Ge 10 4 2 -1 1 T Pdyz 9.340 1 -4 0 36
3901 279 2 Ge 11 4 2 0 1 T Pdz2 9.340 1 -4 0 37
3902 279 2 Ge 12 4 2 1 1 T Pdxz 9.340 1 -4 0 38
3903 279 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 1 -4 0 39
3904 280 1 Fe 1 4 0 0 1 F s 9.649 1 -4 0 40
3905 280 1 Fe 2 4 0 0 2 F s 6.885 1 -4 0 41
3906 280 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -4 0 42
3907 280 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -4 0 43
3908 280 1 Fe 5 3 2 0 1 F dz2 6.632 1 -4 0 44
3909 280 1 Fe 6 3 2 1 1 F dxz 6.632 1 -4 0 45
3910 280 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -4 0 46
3911 280 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -4 0 47
3912 280 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -4 0 48
3913 280 1 Fe 10 3 2 0 2 F dz2 2.565 1 -4 0 49
3914 280 1 Fe 11 3 2 1 2 F dxz 2.565 1 -4 0 50
3915 280 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -4 0 51
3916 280 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -4 0 52
3917 280 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -4 0 53
3918 280 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -4 0 54
3919 281 1 Fe 1 4 0 0 1 F s 9.649 1 -4 0 55
3920 281 1 Fe 2 4 0 0 2 F s 6.885 1 -4 0 56
3921 281 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -4 0 57
3922 281 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -4 0 58
3923 281 1 Fe 5 3 2 0 1 F dz2 6.632 1 -4 0 59
3924 281 1 Fe 6 3 2 1 1 F dxz 6.632 1 -4 0 60
3925 281 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -4 0 61
3926 281 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -4 0 62
3927 281 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -4 0 63
3928 281 1 Fe 10 3 2 0 2 F dz2 2.565 1 -4 0 64
3929 281 1 Fe 11 3 2 1 2 F dxz 2.565 1 -4 0 65
3930 281 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -4 0 66
3931 281 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -4 0 67
3932 281 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -4 0 68
3933 281 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -4 0 69
3934 282 1 Fe 1 4 0 0 1 F s 9.649 1 -4 0 70
3935 282 1 Fe 2 4 0 0 2 F s 6.885 1 -4 0 71
3936 282 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -4 0 72
3937 282 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -4 0 73
3938 282 1 Fe 5 3 2 0 1 F dz2 6.632 1 -4 0 74
3939 282 1 Fe 6 3 2 1 1 F dxz 6.632 1 -4 0 75
3940 282 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -4 0 76
3941 282 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -4 0 77
3942 282 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -4 0 78
3943 282 1 Fe 10 3 2 0 2 F dz2 2.565 1 -4 0 79
3944 282 1 Fe 11 3 2 1 2 F dxz 2.565 1 -4 0 80
3945 282 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -4 0 81
3946 282 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -4 0 82
3947 282 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -4 0 83
3948 282 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -4 0 84
3949 283 3 Te 1 5 0 0 1 F s 6.195 2 -4 0 1
3950 283 3 Te 2 5 0 0 2 F s 4.205 2 -4 0 2
3951 283 3 Te 3 5 1 -1 1 F py 8.156 2 -4 0 3
3952 283 3 Te 4 5 1 0 1 F pz 8.156 2 -4 0 4
3953 283 3 Te 5 5 1 1 1 F px 8.156 2 -4 0 5
3954 283 3 Te 6 5 1 -1 2 F py 5.009 2 -4 0 6
3955 283 3 Te 7 5 1 0 2 F pz 5.009 2 -4 0 7
3956 283 3 Te 8 5 1 1 2 F px 5.009 2 -4 0 8
3957 283 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 -4 0 9
3958 283 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 -4 0 10
3959 283 3 Te 11 5 2 0 1 T Pdz2 8.156 2 -4 0 11
3960 283 3 Te 12 5 2 1 1 T Pdxz 8.156 2 -4 0 12
3961 283 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 -4 0 13
3962 284 3 Te 1 5 0 0 1 F s 6.195 2 -4 0 14
3963 284 3 Te 2 5 0 0 2 F s 4.205 2 -4 0 15
3964 284 3 Te 3 5 1 -1 1 F py 8.156 2 -4 0 16
3965 284 3 Te 4 5 1 0 1 F pz 8.156 2 -4 0 17
3966 284 3 Te 5 5 1 1 1 F px 8.156 2 -4 0 18
3967 284 3 Te 6 5 1 -1 2 F py 5.009 2 -4 0 19
3968 284 3 Te 7 5 1 0 2 F pz 5.009 2 -4 0 20
3969 284 3 Te 8 5 1 1 2 F px 5.009 2 -4 0 21
3970 284 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 -4 0 22
3971 284 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 -4 0 23
3972 284 3 Te 11 5 2 0 1 T Pdz2 8.156 2 -4 0 24
3973 284 3 Te 12 5 2 1 1 T Pdxz 8.156 2 -4 0 25
3974 284 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 -4 0 26
3975 285 2 Ge 1 4 0 0 1 F s 6.581 2 -4 0 27
3976 285 2 Ge 2 4 0 0 2 F s 4.412 2 -4 0 28
3977 285 2 Ge 3 4 1 -1 1 F py 9.340 2 -4 0 29
3978 285 2 Ge 4 4 1 0 1 F pz 9.340 2 -4 0 30
3979 285 2 Ge 5 4 1 1 1 F px 9.340 2 -4 0 31
3980 285 2 Ge 6 4 1 -1 2 F py 5.665 2 -4 0 32
3981 285 2 Ge 7 4 1 0 2 F pz 5.665 2 -4 0 33
3982 285 2 Ge 8 4 1 1 2 F px 5.665 2 -4 0 34
3983 285 2 Ge 9 4 2 -2 1 T Pdxy 9.340 2 -4 0 35
3984 285 2 Ge 10 4 2 -1 1 T Pdyz 9.340 2 -4 0 36
3985 285 2 Ge 11 4 2 0 1 T Pdz2 9.340 2 -4 0 37
3986 285 2 Ge 12 4 2 1 1 T Pdxz 9.340 2 -4 0 38
3987 285 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 2 -4 0 39
3988 286 1 Fe 1 4 0 0 1 F s 9.649 2 -4 0 40
3989 286 1 Fe 2 4 0 0 2 F s 6.885 2 -4 0 41
3990 286 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -4 0 42
3991 286 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -4 0 43
3992 286 1 Fe 5 3 2 0 1 F dz2 6.632 2 -4 0 44
3993 286 1 Fe 6 3 2 1 1 F dxz 6.632 2 -4 0 45
3994 286 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -4 0 46
3995 286 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -4 0 47
3996 286 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -4 0 48
3997 286 1 Fe 10 3 2 0 2 F dz2 2.565 2 -4 0 49
3998 286 1 Fe 11 3 2 1 2 F dxz 2.565 2 -4 0 50
3999 286 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -4 0 51
4000 286 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -4 0 52
4001 286 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -4 0 53
4002 286 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -4 0 54
4003 287 1 Fe 1 4 0 0 1 F s 9.649 2 -4 0 55
4004 287 1 Fe 2 4 0 0 2 F s 6.885 2 -4 0 56
4005 287 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -4 0 57
4006 287 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -4 0 58
4007 287 1 Fe 5 3 2 0 1 F dz2 6.632 2 -4 0 59
4008 287 1 Fe 6 3 2 1 1 F dxz 6.632 2 -4 0 60
4009 287 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -4 0 61
4010 287 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -4 0 62
4011 287 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -4 0 63
4012 287 1 Fe 10 3 2 0 2 F dz2 2.565 2 -4 0 64
4013 287 1 Fe 11 3 2 1 2 F dxz 2.565 2 -4 0 65
4014 287 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -4 0 66
4015 287 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -4 0 67
4016 287 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -4 0 68
4017 287 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -4 0 69
4018 288 1 Fe 1 4 0 0 1 F s 9.649 2 -4 0 70
4019 288 1 Fe 2 4 0 0 2 F s 6.885 2 -4 0 71
4020 288 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -4 0 72
4021 288 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -4 0 73
4022 288 1 Fe 5 3 2 0 1 F dz2 6.632 2 -4 0 74
4023 288 1 Fe 6 3 2 1 1 F dxz 6.632 2 -4 0 75
4024 288 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -4 0 76
4025 288 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -4 0 77
4026 288 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -4 0 78
4027 288 1 Fe 10 3 2 0 2 F dz2 2.565 2 -4 0 79
4028 288 1 Fe 11 3 2 1 2 F dxz 2.565 2 -4 0 80
4029 288 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -4 0 81
4030 288 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -4 0 82
4031 288 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -4 0 83
4032 288 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -4 0 84
4033 289 3 Te 1 5 0 0 1 F s 6.195 3 -4 0 1
4034 289 3 Te 2 5 0 0 2 F s 4.205 3 -4 0 2
4035 289 3 Te 3 5 1 -1 1 F py 8.156 3 -4 0 3
4036 289 3 Te 4 5 1 0 1 F pz 8.156 3 -4 0 4
4037 289 3 Te 5 5 1 1 1 F px 8.156 3 -4 0 5
4038 289 3 Te 6 5 1 -1 2 F py 5.009 3 -4 0 6
4039 289 3 Te 7 5 1 0 2 F pz 5.009 3 -4 0 7
4040 289 3 Te 8 5 1 1 2 F px 5.009 3 -4 0 8
4041 289 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 -4 0 9
4042 289 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 -4 0 10
4043 289 3 Te 11 5 2 0 1 T Pdz2 8.156 3 -4 0 11
4044 289 3 Te 12 5 2 1 1 T Pdxz 8.156 3 -4 0 12
4045 289 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 -4 0 13
4046 290 3 Te 1 5 0 0 1 F s 6.195 3 -4 0 14
4047 290 3 Te 2 5 0 0 2 F s 4.205 3 -4 0 15
4048 290 3 Te 3 5 1 -1 1 F py 8.156 3 -4 0 16
4049 290 3 Te 4 5 1 0 1 F pz 8.156 3 -4 0 17
4050 290 3 Te 5 5 1 1 1 F px 8.156 3 -4 0 18
4051 290 3 Te 6 5 1 -1 2 F py 5.009 3 -4 0 19
4052 290 3 Te 7 5 1 0 2 F pz 5.009 3 -4 0 20
4053 290 3 Te 8 5 1 1 2 F px 5.009 3 -4 0 21
4054 290 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 -4 0 22
4055 290 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 -4 0 23
4056 290 3 Te 11 5 2 0 1 T Pdz2 8.156 3 -4 0 24
4057 290 3 Te 12 5 2 1 1 T Pdxz 8.156 3 -4 0 25
4058 290 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 -4 0 26
4059 291 2 Ge 1 4 0 0 1 F s 6.581 3 -4 0 27
4060 291 2 Ge 2 4 0 0 2 F s 4.412 3 -4 0 28
4061 291 2 Ge 3 4 1 -1 1 F py 9.340 3 -4 0 29
4062 291 2 Ge 4 4 1 0 1 F pz 9.340 3 -4 0 30
4063 291 2 Ge 5 4 1 1 1 F px 9.340 3 -4 0 31
4064 291 2 Ge 6 4 1 -1 2 F py 5.665 3 -4 0 32
4065 291 2 Ge 7 4 1 0 2 F pz 5.665 3 -4 0 33
4066 291 2 Ge 8 4 1 1 2 F px 5.665 3 -4 0 34
4067 291 2 Ge 9 4 2 -2 1 T Pdxy 9.340 3 -4 0 35
4068 291 2 Ge 10 4 2 -1 1 T Pdyz 9.340 3 -4 0 36
4069 291 2 Ge 11 4 2 0 1 T Pdz2 9.340 3 -4 0 37
4070 291 2 Ge 12 4 2 1 1 T Pdxz 9.340 3 -4 0 38
4071 291 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 3 -4 0 39
4072 292 1 Fe 1 4 0 0 1 F s 9.649 3 -4 0 40
4073 292 1 Fe 2 4 0 0 2 F s 6.885 3 -4 0 41
4074 292 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -4 0 42
4075 292 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -4 0 43
4076 292 1 Fe 5 3 2 0 1 F dz2 6.632 3 -4 0 44
4077 292 1 Fe 6 3 2 1 1 F dxz 6.632 3 -4 0 45
4078 292 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -4 0 46
4079 292 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -4 0 47
4080 292 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -4 0 48
4081 292 1 Fe 10 3 2 0 2 F dz2 2.565 3 -4 0 49
4082 292 1 Fe 11 3 2 1 2 F dxz 2.565 3 -4 0 50
4083 292 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -4 0 51
4084 292 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -4 0 52
4085 292 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -4 0 53
4086 292 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -4 0 54
4087 293 1 Fe 1 4 0 0 1 F s 9.649 3 -4 0 55
4088 293 1 Fe 2 4 0 0 2 F s 6.885 3 -4 0 56
4089 293 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -4 0 57
4090 293 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -4 0 58
4091 293 1 Fe 5 3 2 0 1 F dz2 6.632 3 -4 0 59
4092 293 1 Fe 6 3 2 1 1 F dxz 6.632 3 -4 0 60
4093 293 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -4 0 61
4094 293 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -4 0 62
4095 293 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -4 0 63
4096 293 1 Fe 10 3 2 0 2 F dz2 2.565 3 -4 0 64
4097 293 1 Fe 11 3 2 1 2 F dxz 2.565 3 -4 0 65
4098 293 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -4 0 66
4099 293 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -4 0 67
4100 293 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -4 0 68
4101 293 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -4 0 69
4102 294 1 Fe 1 4 0 0 1 F s 9.649 3 -4 0 70
4103 294 1 Fe 2 4 0 0 2 F s 6.885 3 -4 0 71
4104 294 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -4 0 72
4105 294 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -4 0 73
4106 294 1 Fe 5 3 2 0 1 F dz2 6.632 3 -4 0 74
4107 294 1 Fe 6 3 2 1 1 F dxz 6.632 3 -4 0 75
4108 294 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -4 0 76
4109 294 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -4 0 77
4110 294 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -4 0 78
4111 294 1 Fe 10 3 2 0 2 F dz2 2.565 3 -4 0 79
4112 294 1 Fe 11 3 2 1 2 F dxz 2.565 3 -4 0 80
4113 294 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -4 0 81
4114 294 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -4 0 82
4115 294 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -4 0 83
4116 294 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -4 0 84
4117 295 3 Te 1 5 0 0 1 F s 6.195 4 -4 0 1
4118 295 3 Te 2 5 0 0 2 F s 4.205 4 -4 0 2
4119 295 3 Te 3 5 1 -1 1 F py 8.156 4 -4 0 3
4120 295 3 Te 4 5 1 0 1 F pz 8.156 4 -4 0 4
4121 295 3 Te 5 5 1 1 1 F px 8.156 4 -4 0 5
4122 295 3 Te 6 5 1 -1 2 F py 5.009 4 -4 0 6
4123 295 3 Te 7 5 1 0 2 F pz 5.009 4 -4 0 7
4124 295 3 Te 8 5 1 1 2 F px 5.009 4 -4 0 8
4125 295 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 -4 0 9
4126 295 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 -4 0 10
4127 295 3 Te 11 5 2 0 1 T Pdz2 8.156 4 -4 0 11
4128 295 3 Te 12 5 2 1 1 T Pdxz 8.156 4 -4 0 12
4129 295 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 -4 0 13
4130 296 3 Te 1 5 0 0 1 F s 6.195 4 -4 0 14
4131 296 3 Te 2 5 0 0 2 F s 4.205 4 -4 0 15
4132 296 3 Te 3 5 1 -1 1 F py 8.156 4 -4 0 16
4133 296 3 Te 4 5 1 0 1 F pz 8.156 4 -4 0 17
4134 296 3 Te 5 5 1 1 1 F px 8.156 4 -4 0 18
4135 296 3 Te 6 5 1 -1 2 F py 5.009 4 -4 0 19
4136 296 3 Te 7 5 1 0 2 F pz 5.009 4 -4 0 20
4137 296 3 Te 8 5 1 1 2 F px 5.009 4 -4 0 21
4138 296 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 -4 0 22
4139 296 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 -4 0 23
4140 296 3 Te 11 5 2 0 1 T Pdz2 8.156 4 -4 0 24
4141 296 3 Te 12 5 2 1 1 T Pdxz 8.156 4 -4 0 25
4142 296 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 -4 0 26
4143 297 2 Ge 1 4 0 0 1 F s 6.581 4 -4 0 27
4144 297 2 Ge 2 4 0 0 2 F s 4.412 4 -4 0 28
4145 297 2 Ge 3 4 1 -1 1 F py 9.340 4 -4 0 29
4146 297 2 Ge 4 4 1 0 1 F pz 9.340 4 -4 0 30
4147 297 2 Ge 5 4 1 1 1 F px 9.340 4 -4 0 31
4148 297 2 Ge 6 4 1 -1 2 F py 5.665 4 -4 0 32
4149 297 2 Ge 7 4 1 0 2 F pz 5.665 4 -4 0 33
4150 297 2 Ge 8 4 1 1 2 F px 5.665 4 -4 0 34
4151 297 2 Ge 9 4 2 -2 1 T Pdxy 9.340 4 -4 0 35
4152 297 2 Ge 10 4 2 -1 1 T Pdyz 9.340 4 -4 0 36
4153 297 2 Ge 11 4 2 0 1 T Pdz2 9.340 4 -4 0 37
4154 297 2 Ge 12 4 2 1 1 T Pdxz 9.340 4 -4 0 38
4155 297 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 4 -4 0 39
4156 298 1 Fe 1 4 0 0 1 F s 9.649 4 -4 0 40
4157 298 1 Fe 2 4 0 0 2 F s 6.885 4 -4 0 41
4158 298 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -4 0 42
4159 298 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -4 0 43
4160 298 1 Fe 5 3 2 0 1 F dz2 6.632 4 -4 0 44
4161 298 1 Fe 6 3 2 1 1 F dxz 6.632 4 -4 0 45
4162 298 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -4 0 46
4163 298 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -4 0 47
4164 298 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -4 0 48
4165 298 1 Fe 10 3 2 0 2 F dz2 2.565 4 -4 0 49
4166 298 1 Fe 11 3 2 1 2 F dxz 2.565 4 -4 0 50
4167 298 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -4 0 51
4168 298 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -4 0 52
4169 298 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -4 0 53
4170 298 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -4 0 54
4171 299 1 Fe 1 4 0 0 1 F s 9.649 4 -4 0 55
4172 299 1 Fe 2 4 0 0 2 F s 6.885 4 -4 0 56
4173 299 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -4 0 57
4174 299 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -4 0 58
4175 299 1 Fe 5 3 2 0 1 F dz2 6.632 4 -4 0 59
4176 299 1 Fe 6 3 2 1 1 F dxz 6.632 4 -4 0 60
4177 299 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -4 0 61
4178 299 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -4 0 62
4179 299 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -4 0 63
4180 299 1 Fe 10 3 2 0 2 F dz2 2.565 4 -4 0 64
4181 299 1 Fe 11 3 2 1 2 F dxz 2.565 4 -4 0 65
4182 299 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -4 0 66
4183 299 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -4 0 67
4184 299 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -4 0 68
4185 299 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -4 0 69
4186 300 1 Fe 1 4 0 0 1 F s 9.649 4 -4 0 70
4187 300 1 Fe 2 4 0 0 2 F s 6.885 4 -4 0 71
4188 300 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -4 0 72
4189 300 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -4 0 73
4190 300 1 Fe 5 3 2 0 1 F dz2 6.632 4 -4 0 74
4191 300 1 Fe 6 3 2 1 1 F dxz 6.632 4 -4 0 75
4192 300 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -4 0 76
4193 300 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -4 0 77
4194 300 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -4 0 78
4195 300 1 Fe 10 3 2 0 2 F dz2 2.565 4 -4 0 79
4196 300 1 Fe 11 3 2 1 2 F dxz 2.565 4 -4 0 80
4197 300 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -4 0 81
4198 300 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -4 0 82
4199 300 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -4 0 83
4200 300 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -4 0 84
4201 301 3 Te 1 5 0 0 1 F s 6.195 -4 -4 0 1
4202 301 3 Te 2 5 0 0 2 F s 4.205 -4 -4 0 2
4203 301 3 Te 3 5 1 -1 1 F py 8.156 -4 -4 0 3
4204 301 3 Te 4 5 1 0 1 F pz 8.156 -4 -4 0 4
4205 301 3 Te 5 5 1 1 1 F px 8.156 -4 -4 0 5
4206 301 3 Te 6 5 1 -1 2 F py 5.009 -4 -4 0 6
4207 301 3 Te 7 5 1 0 2 F pz 5.009 -4 -4 0 7
4208 301 3 Te 8 5 1 1 2 F px 5.009 -4 -4 0 8
4209 301 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 -4 0 9
4210 301 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 -4 0 10
4211 301 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 -4 0 11
4212 301 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 -4 0 12
4213 301 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 -4 0 13
4214 302 3 Te 1 5 0 0 1 F s 6.195 -4 -4 0 14
4215 302 3 Te 2 5 0 0 2 F s 4.205 -4 -4 0 15
4216 302 3 Te 3 5 1 -1 1 F py 8.156 -4 -4 0 16
4217 302 3 Te 4 5 1 0 1 F pz 8.156 -4 -4 0 17
4218 302 3 Te 5 5 1 1 1 F px 8.156 -4 -4 0 18
4219 302 3 Te 6 5 1 -1 2 F py 5.009 -4 -4 0 19
4220 302 3 Te 7 5 1 0 2 F pz 5.009 -4 -4 0 20
4221 302 3 Te 8 5 1 1 2 F px 5.009 -4 -4 0 21
4222 302 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 -4 0 22
4223 302 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 -4 0 23
4224 302 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 -4 0 24
4225 302 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 -4 0 25
4226 302 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 -4 0 26
4227 303 2 Ge 1 4 0 0 1 F s 6.581 -4 -4 0 27
4228 303 2 Ge 2 4 0 0 2 F s 4.412 -4 -4 0 28
4229 303 2 Ge 3 4 1 -1 1 F py 9.340 -4 -4 0 29
4230 303 2 Ge 4 4 1 0 1 F pz 9.340 -4 -4 0 30
4231 303 2 Ge 5 4 1 1 1 F px 9.340 -4 -4 0 31
4232 303 2 Ge 6 4 1 -1 2 F py 5.665 -4 -4 0 32
4233 303 2 Ge 7 4 1 0 2 F pz 5.665 -4 -4 0 33
4234 303 2 Ge 8 4 1 1 2 F px 5.665 -4 -4 0 34
4235 303 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -4 -4 0 35
4236 303 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -4 -4 0 36
4237 303 2 Ge 11 4 2 0 1 T Pdz2 9.340 -4 -4 0 37
4238 303 2 Ge 12 4 2 1 1 T Pdxz 9.340 -4 -4 0 38
4239 303 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -4 -4 0 39
4240 304 1 Fe 1 4 0 0 1 F s 9.649 -4 -4 0 40
4241 304 1 Fe 2 4 0 0 2 F s 6.885 -4 -4 0 41
4242 304 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -4 0 42
4243 304 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -4 0 43
4244 304 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -4 0 44
4245 304 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -4 0 45
4246 304 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -4 0 46
4247 304 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -4 0 47
4248 304 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -4 0 48
4249 304 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -4 0 49
4250 304 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -4 0 50
4251 304 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -4 0 51
4252 304 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -4 0 52
4253 304 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -4 0 53
4254 304 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -4 0 54
4255 305 1 Fe 1 4 0 0 1 F s 9.649 -4 -4 0 55
4256 305 1 Fe 2 4 0 0 2 F s 6.885 -4 -4 0 56
4257 305 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -4 0 57
4258 305 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -4 0 58
4259 305 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -4 0 59
4260 305 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -4 0 60
4261 305 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -4 0 61
4262 305 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -4 0 62
4263 305 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -4 0 63
4264 305 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -4 0 64
4265 305 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -4 0 65
4266 305 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -4 0 66
4267 305 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -4 0 67
4268 305 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -4 0 68
4269 305 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -4 0 69
4270 306 1 Fe 1 4 0 0 1 F s 9.649 -4 -4 0 70
4271 306 1 Fe 2 4 0 0 2 F s 6.885 -4 -4 0 71
4272 306 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -4 0 72
4273 306 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -4 0 73
4274 306 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -4 0 74
4275 306 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -4 0 75
4276 306 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -4 0 76
4277 306 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -4 0 77
4278 306 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -4 0 78
4279 306 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -4 0 79
4280 306 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -4 0 80
4281 306 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -4 0 81
4282 306 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -4 0 82
4283 306 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -4 0 83
4284 306 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -4 0 84
4285 307 3 Te 1 5 0 0 1 F s 6.195 -3 -4 0 1
4286 307 3 Te 2 5 0 0 2 F s 4.205 -3 -4 0 2
4287 307 3 Te 3 5 1 -1 1 F py 8.156 -3 -4 0 3
4288 307 3 Te 4 5 1 0 1 F pz 8.156 -3 -4 0 4
4289 307 3 Te 5 5 1 1 1 F px 8.156 -3 -4 0 5
4290 307 3 Te 6 5 1 -1 2 F py 5.009 -3 -4 0 6
4291 307 3 Te 7 5 1 0 2 F pz 5.009 -3 -4 0 7
4292 307 3 Te 8 5 1 1 2 F px 5.009 -3 -4 0 8
4293 307 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 -4 0 9
4294 307 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 -4 0 10
4295 307 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 -4 0 11
4296 307 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 -4 0 12
4297 307 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 -4 0 13
4298 308 3 Te 1 5 0 0 1 F s 6.195 -3 -4 0 14
4299 308 3 Te 2 5 0 0 2 F s 4.205 -3 -4 0 15
4300 308 3 Te 3 5 1 -1 1 F py 8.156 -3 -4 0 16
4301 308 3 Te 4 5 1 0 1 F pz 8.156 -3 -4 0 17
4302 308 3 Te 5 5 1 1 1 F px 8.156 -3 -4 0 18
4303 308 3 Te 6 5 1 -1 2 F py 5.009 -3 -4 0 19
4304 308 3 Te 7 5 1 0 2 F pz 5.009 -3 -4 0 20
4305 308 3 Te 8 5 1 1 2 F px 5.009 -3 -4 0 21
4306 308 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 -4 0 22
4307 308 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 -4 0 23
4308 308 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 -4 0 24
4309 308 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 -4 0 25
4310 308 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 -4 0 26
4311 309 2 Ge 1 4 0 0 1 F s 6.581 -3 -4 0 27
4312 309 2 Ge 2 4 0 0 2 F s 4.412 -3 -4 0 28
4313 309 2 Ge 3 4 1 -1 1 F py 9.340 -3 -4 0 29
4314 309 2 Ge 4 4 1 0 1 F pz 9.340 -3 -4 0 30
4315 309 2 Ge 5 4 1 1 1 F px 9.340 -3 -4 0 31
4316 309 2 Ge 6 4 1 -1 2 F py 5.665 -3 -4 0 32
4317 309 2 Ge 7 4 1 0 2 F pz 5.665 -3 -4 0 33
4318 309 2 Ge 8 4 1 1 2 F px 5.665 -3 -4 0 34
4319 309 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -3 -4 0 35
4320 309 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -3 -4 0 36
4321 309 2 Ge 11 4 2 0 1 T Pdz2 9.340 -3 -4 0 37
4322 309 2 Ge 12 4 2 1 1 T Pdxz 9.340 -3 -4 0 38
4323 309 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -3 -4 0 39
4324 310 1 Fe 1 4 0 0 1 F s 9.649 -3 -4 0 40
4325 310 1 Fe 2 4 0 0 2 F s 6.885 -3 -4 0 41
4326 310 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -4 0 42
4327 310 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -4 0 43
4328 310 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -4 0 44
4329 310 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -4 0 45
4330 310 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -4 0 46
4331 310 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -4 0 47
4332 310 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -4 0 48
4333 310 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -4 0 49
4334 310 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -4 0 50
4335 310 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -4 0 51
4336 310 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -4 0 52
4337 310 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -4 0 53
4338 310 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -4 0 54
4339 311 1 Fe 1 4 0 0 1 F s 9.649 -3 -4 0 55
4340 311 1 Fe 2 4 0 0 2 F s 6.885 -3 -4 0 56
4341 311 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -4 0 57
4342 311 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -4 0 58
4343 311 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -4 0 59
4344 311 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -4 0 60
4345 311 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -4 0 61
4346 311 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -4 0 62
4347 311 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -4 0 63
4348 311 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -4 0 64
4349 311 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -4 0 65
4350 311 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -4 0 66
4351 311 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -4 0 67
4352 311 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -4 0 68
4353 311 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -4 0 69
4354 312 1 Fe 1 4 0 0 1 F s 9.649 -3 -4 0 70
4355 312 1 Fe 2 4 0 0 2 F s 6.885 -3 -4 0 71
4356 312 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -4 0 72
4357 312 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -4 0 73
4358 312 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -4 0 74
4359 312 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -4 0 75
4360 312 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -4 0 76
4361 312 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -4 0 77
4362 312 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -4 0 78
4363 312 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -4 0 79
4364 312 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -4 0 80
4365 312 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -4 0 81
4366 312 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -4 0 82
4367 312 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -4 0 83
4368 312 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -4 0 84
4369 313 3 Te 1 5 0 0 1 F s 6.195 -2 -4 0 1
4370 313 3 Te 2 5 0 0 2 F s 4.205 -2 -4 0 2
4371 313 3 Te 3 5 1 -1 1 F py 8.156 -2 -4 0 3
4372 313 3 Te 4 5 1 0 1 F pz 8.156 -2 -4 0 4
4373 313 3 Te 5 5 1 1 1 F px 8.156 -2 -4 0 5
4374 313 3 Te 6 5 1 -1 2 F py 5.009 -2 -4 0 6
4375 313 3 Te 7 5 1 0 2 F pz 5.009 -2 -4 0 7
4376 313 3 Te 8 5 1 1 2 F px 5.009 -2 -4 0 8
4377 313 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 -4 0 9
4378 313 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 -4 0 10
4379 313 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 -4 0 11
4380 313 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 -4 0 12
4381 313 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 -4 0 13
4382 314 3 Te 1 5 0 0 1 F s 6.195 -2 -4 0 14
4383 314 3 Te 2 5 0 0 2 F s 4.205 -2 -4 0 15
4384 314 3 Te 3 5 1 -1 1 F py 8.156 -2 -4 0 16
4385 314 3 Te 4 5 1 0 1 F pz 8.156 -2 -4 0 17
4386 314 3 Te 5 5 1 1 1 F px 8.156 -2 -4 0 18
4387 314 3 Te 6 5 1 -1 2 F py 5.009 -2 -4 0 19
4388 314 3 Te 7 5 1 0 2 F pz 5.009 -2 -4 0 20
4389 314 3 Te 8 5 1 1 2 F px 5.009 -2 -4 0 21
4390 314 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 -4 0 22
4391 314 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 -4 0 23
4392 314 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 -4 0 24
4393 314 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 -4 0 25
4394 314 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 -4 0 26
4395 315 2 Ge 1 4 0 0 1 F s 6.581 -2 -4 0 27
4396 315 2 Ge 2 4 0 0 2 F s 4.412 -2 -4 0 28
4397 315 2 Ge 3 4 1 -1 1 F py 9.340 -2 -4 0 29
4398 315 2 Ge 4 4 1 0 1 F pz 9.340 -2 -4 0 30
4399 315 2 Ge 5 4 1 1 1 F px 9.340 -2 -4 0 31
4400 315 2 Ge 6 4 1 -1 2 F py 5.665 -2 -4 0 32
4401 315 2 Ge 7 4 1 0 2 F pz 5.665 -2 -4 0 33
4402 315 2 Ge 8 4 1 1 2 F px 5.665 -2 -4 0 34
4403 315 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -2 -4 0 35
4404 315 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -2 -4 0 36
4405 315 2 Ge 11 4 2 0 1 T Pdz2 9.340 -2 -4 0 37
4406 315 2 Ge 12 4 2 1 1 T Pdxz 9.340 -2 -4 0 38
4407 315 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -2 -4 0 39
4408 316 1 Fe 1 4 0 0 1 F s 9.649 -2 -4 0 40
4409 316 1 Fe 2 4 0 0 2 F s 6.885 -2 -4 0 41
4410 316 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -4 0 42
4411 316 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -4 0 43
4412 316 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -4 0 44
4413 316 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -4 0 45
4414 316 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -4 0 46
4415 316 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -4 0 47
4416 316 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -4 0 48
4417 316 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -4 0 49
4418 316 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -4 0 50
4419 316 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -4 0 51
4420 316 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -4 0 52
4421 316 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -4 0 53
4422 316 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -4 0 54
4423 317 1 Fe 1 4 0 0 1 F s 9.649 -2 -4 0 55
4424 317 1 Fe 2 4 0 0 2 F s 6.885 -2 -4 0 56
4425 317 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -4 0 57
4426 317 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -4 0 58
4427 317 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -4 0 59
4428 317 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -4 0 60
4429 317 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -4 0 61
4430 317 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -4 0 62
4431 317 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -4 0 63
4432 317 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -4 0 64
4433 317 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -4 0 65
4434 317 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -4 0 66
4435 317 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -4 0 67
4436 317 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -4 0 68
4437 317 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -4 0 69
4438 318 1 Fe 1 4 0 0 1 F s 9.649 -2 -4 0 70
4439 318 1 Fe 2 4 0 0 2 F s 6.885 -2 -4 0 71
4440 318 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -4 0 72
4441 318 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -4 0 73
4442 318 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -4 0 74
4443 318 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -4 0 75
4444 318 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -4 0 76
4445 318 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -4 0 77
4446 318 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -4 0 78
4447 318 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -4 0 79
4448 318 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -4 0 80
4449 318 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -4 0 81
4450 318 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -4 0 82
4451 318 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -4 0 83
4452 318 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -4 0 84
4453 319 3 Te 1 5 0 0 1 F s 6.195 -1 -4 0 1
4454 319 3 Te 2 5 0 0 2 F s 4.205 -1 -4 0 2
4455 319 3 Te 3 5 1 -1 1 F py 8.156 -1 -4 0 3
4456 319 3 Te 4 5 1 0 1 F pz 8.156 -1 -4 0 4
4457 319 3 Te 5 5 1 1 1 F px 8.156 -1 -4 0 5
4458 319 3 Te 6 5 1 -1 2 F py 5.009 -1 -4 0 6
4459 319 3 Te 7 5 1 0 2 F pz 5.009 -1 -4 0 7
4460 319 3 Te 8 5 1 1 2 F px 5.009 -1 -4 0 8
4461 319 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 -4 0 9
4462 319 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 -4 0 10
4463 319 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 -4 0 11
4464 319 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 -4 0 12
4465 319 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 -4 0 13
4466 320 3 Te 1 5 0 0 1 F s 6.195 -1 -4 0 14
4467 320 3 Te 2 5 0 0 2 F s 4.205 -1 -4 0 15
4468 320 3 Te 3 5 1 -1 1 F py 8.156 -1 -4 0 16
4469 320 3 Te 4 5 1 0 1 F pz 8.156 -1 -4 0 17
4470 320 3 Te 5 5 1 1 1 F px 8.156 -1 -4 0 18
4471 320 3 Te 6 5 1 -1 2 F py 5.009 -1 -4 0 19
4472 320 3 Te 7 5 1 0 2 F pz 5.009 -1 -4 0 20
4473 320 3 Te 8 5 1 1 2 F px 5.009 -1 -4 0 21
4474 320 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 -4 0 22
4475 320 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 -4 0 23
4476 320 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 -4 0 24
4477 320 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 -4 0 25
4478 320 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 -4 0 26
4479 321 2 Ge 1 4 0 0 1 F s 6.581 -1 -4 0 27
4480 321 2 Ge 2 4 0 0 2 F s 4.412 -1 -4 0 28
4481 321 2 Ge 3 4 1 -1 1 F py 9.340 -1 -4 0 29
4482 321 2 Ge 4 4 1 0 1 F pz 9.340 -1 -4 0 30
4483 321 2 Ge 5 4 1 1 1 F px 9.340 -1 -4 0 31
4484 321 2 Ge 6 4 1 -1 2 F py 5.665 -1 -4 0 32
4485 321 2 Ge 7 4 1 0 2 F pz 5.665 -1 -4 0 33
4486 321 2 Ge 8 4 1 1 2 F px 5.665 -1 -4 0 34
4487 321 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -1 -4 0 35
4488 321 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -1 -4 0 36
4489 321 2 Ge 11 4 2 0 1 T Pdz2 9.340 -1 -4 0 37
4490 321 2 Ge 12 4 2 1 1 T Pdxz 9.340 -1 -4 0 38
4491 321 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -1 -4 0 39
4492 322 1 Fe 1 4 0 0 1 F s 9.649 -1 -4 0 40
4493 322 1 Fe 2 4 0 0 2 F s 6.885 -1 -4 0 41
4494 322 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -4 0 42
4495 322 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -4 0 43
4496 322 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -4 0 44
4497 322 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -4 0 45
4498 322 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -4 0 46
4499 322 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -4 0 47
4500 322 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -4 0 48
4501 322 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -4 0 49
4502 322 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -4 0 50
4503 322 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -4 0 51
4504 322 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -4 0 52
4505 322 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -4 0 53
4506 322 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -4 0 54
4507 323 1 Fe 1 4 0 0 1 F s 9.649 -1 -4 0 55
4508 323 1 Fe 2 4 0 0 2 F s 6.885 -1 -4 0 56
4509 323 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -4 0 57
4510 323 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -4 0 58
4511 323 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -4 0 59
4512 323 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -4 0 60
4513 323 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -4 0 61
4514 323 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -4 0 62
4515 323 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -4 0 63
4516 323 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -4 0 64
4517 323 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -4 0 65
4518 323 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -4 0 66
4519 323 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -4 0 67
4520 323 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -4 0 68
4521 323 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -4 0 69
4522 324 1 Fe 1 4 0 0 1 F s 9.649 -1 -4 0 70
4523 324 1 Fe 2 4 0 0 2 F s 6.885 -1 -4 0 71
4524 324 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -4 0 72
4525 324 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -4 0 73
4526 324 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -4 0 74
4527 324 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -4 0 75
4528 324 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -4 0 76
4529 324 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -4 0 77
4530 324 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -4 0 78
4531 324 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -4 0 79
4532 324 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -4 0 80
4533 324 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -4 0 81
4534 324 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -4 0 82
4535 324 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -4 0 83
4536 324 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -4 0 84
4537 325 3 Te 1 5 0 0 1 F s 6.195 0 -3 0 1
4538 325 3 Te 2 5 0 0 2 F s 4.205 0 -3 0 2
4539 325 3 Te 3 5 1 -1 1 F py 8.156 0 -3 0 3
4540 325 3 Te 4 5 1 0 1 F pz 8.156 0 -3 0 4
4541 325 3 Te 5 5 1 1 1 F px 8.156 0 -3 0 5
4542 325 3 Te 6 5 1 -1 2 F py 5.009 0 -3 0 6
4543 325 3 Te 7 5 1 0 2 F pz 5.009 0 -3 0 7
4544 325 3 Te 8 5 1 1 2 F px 5.009 0 -3 0 8
4545 325 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 -3 0 9
4546 325 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 -3 0 10
4547 325 3 Te 11 5 2 0 1 T Pdz2 8.156 0 -3 0 11
4548 325 3 Te 12 5 2 1 1 T Pdxz 8.156 0 -3 0 12
4549 325 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 -3 0 13
4550 326 3 Te 1 5 0 0 1 F s 6.195 0 -3 0 14
4551 326 3 Te 2 5 0 0 2 F s 4.205 0 -3 0 15
4552 326 3 Te 3 5 1 -1 1 F py 8.156 0 -3 0 16
4553 326 3 Te 4 5 1 0 1 F pz 8.156 0 -3 0 17
4554 326 3 Te 5 5 1 1 1 F px 8.156 0 -3 0 18
4555 326 3 Te 6 5 1 -1 2 F py 5.009 0 -3 0 19
4556 326 3 Te 7 5 1 0 2 F pz 5.009 0 -3 0 20
4557 326 3 Te 8 5 1 1 2 F px 5.009 0 -3 0 21
4558 326 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 -3 0 22
4559 326 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 -3 0 23
4560 326 3 Te 11 5 2 0 1 T Pdz2 8.156 0 -3 0 24
4561 326 3 Te 12 5 2 1 1 T Pdxz 8.156 0 -3 0 25
4562 326 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 -3 0 26
4563 327 2 Ge 1 4 0 0 1 F s 6.581 0 -3 0 27
4564 327 2 Ge 2 4 0 0 2 F s 4.412 0 -3 0 28
4565 327 2 Ge 3 4 1 -1 1 F py 9.340 0 -3 0 29
4566 327 2 Ge 4 4 1 0 1 F pz 9.340 0 -3 0 30
4567 327 2 Ge 5 4 1 1 1 F px 9.340 0 -3 0 31
4568 327 2 Ge 6 4 1 -1 2 F py 5.665 0 -3 0 32
4569 327 2 Ge 7 4 1 0 2 F pz 5.665 0 -3 0 33
4570 327 2 Ge 8 4 1 1 2 F px 5.665 0 -3 0 34
4571 327 2 Ge 9 4 2 -2 1 T Pdxy 9.340 0 -3 0 35
4572 327 2 Ge 10 4 2 -1 1 T Pdyz 9.340 0 -3 0 36
4573 327 2 Ge 11 4 2 0 1 T Pdz2 9.340 0 -3 0 37
4574 327 2 Ge 12 4 2 1 1 T Pdxz 9.340 0 -3 0 38
4575 327 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 0 -3 0 39
4576 328 1 Fe 1 4 0 0 1 F s 9.649 0 -3 0 40
4577 328 1 Fe 2 4 0 0 2 F s 6.885 0 -3 0 41
4578 328 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -3 0 42
4579 328 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -3 0 43
4580 328 1 Fe 5 3 2 0 1 F dz2 6.632 0 -3 0 44
4581 328 1 Fe 6 3 2 1 1 F dxz 6.632 0 -3 0 45
4582 328 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -3 0 46
4583 328 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -3 0 47
4584 328 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -3 0 48
4585 328 1 Fe 10 3 2 0 2 F dz2 2.565 0 -3 0 49
4586 328 1 Fe 11 3 2 1 2 F dxz 2.565 0 -3 0 50
4587 328 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -3 0 51
4588 328 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -3 0 52
4589 328 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -3 0 53
4590 328 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -3 0 54
4591 329 1 Fe 1 4 0 0 1 F s 9.649 0 -3 0 55
4592 329 1 Fe 2 4 0 0 2 F s 6.885 0 -3 0 56
4593 329 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -3 0 57
4594 329 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -3 0 58
4595 329 1 Fe 5 3 2 0 1 F dz2 6.632 0 -3 0 59
4596 329 1 Fe 6 3 2 1 1 F dxz 6.632 0 -3 0 60
4597 329 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -3 0 61
4598 329 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -3 0 62
4599 329 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -3 0 63
4600 329 1 Fe 10 3 2 0 2 F dz2 2.565 0 -3 0 64
4601 329 1 Fe 11 3 2 1 2 F dxz 2.565 0 -3 0 65
4602 329 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -3 0 66
4603 329 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -3 0 67
4604 329 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -3 0 68
4605 329 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -3 0 69
4606 330 1 Fe 1 4 0 0 1 F s 9.649 0 -3 0 70
4607 330 1 Fe 2 4 0 0 2 F s 6.885 0 -3 0 71
4608 330 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -3 0 72
4609 330 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -3 0 73
4610 330 1 Fe 5 3 2 0 1 F dz2 6.632 0 -3 0 74
4611 330 1 Fe 6 3 2 1 1 F dxz 6.632 0 -3 0 75
4612 330 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -3 0 76
4613 330 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -3 0 77
4614 330 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -3 0 78
4615 330 1 Fe 10 3 2 0 2 F dz2 2.565 0 -3 0 79
4616 330 1 Fe 11 3 2 1 2 F dxz 2.565 0 -3 0 80
4617 330 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -3 0 81
4618 330 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -3 0 82
4619 330 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -3 0 83
4620 330 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -3 0 84
4621 331 3 Te 1 5 0 0 1 F s 6.195 1 -3 0 1
4622 331 3 Te 2 5 0 0 2 F s 4.205 1 -3 0 2
4623 331 3 Te 3 5 1 -1 1 F py 8.156 1 -3 0 3
4624 331 3 Te 4 5 1 0 1 F pz 8.156 1 -3 0 4
4625 331 3 Te 5 5 1 1 1 F px 8.156 1 -3 0 5
4626 331 3 Te 6 5 1 -1 2 F py 5.009 1 -3 0 6
4627 331 3 Te 7 5 1 0 2 F pz 5.009 1 -3 0 7
4628 331 3 Te 8 5 1 1 2 F px 5.009 1 -3 0 8
4629 331 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 -3 0 9
4630 331 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 -3 0 10
4631 331 3 Te 11 5 2 0 1 T Pdz2 8.156 1 -3 0 11
4632 331 3 Te 12 5 2 1 1 T Pdxz 8.156 1 -3 0 12
4633 331 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 -3 0 13
4634 332 3 Te 1 5 0 0 1 F s 6.195 1 -3 0 14
4635 332 3 Te 2 5 0 0 2 F s 4.205 1 -3 0 15
4636 332 3 Te 3 5 1 -1 1 F py 8.156 1 -3 0 16
4637 332 3 Te 4 5 1 0 1 F pz 8.156 1 -3 0 17
4638 332 3 Te 5 5 1 1 1 F px 8.156 1 -3 0 18
4639 332 3 Te 6 5 1 -1 2 F py 5.009 1 -3 0 19
4640 332 3 Te 7 5 1 0 2 F pz 5.009 1 -3 0 20
4641 332 3 Te 8 5 1 1 2 F px 5.009 1 -3 0 21
4642 332 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 -3 0 22
4643 332 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 -3 0 23
4644 332 3 Te 11 5 2 0 1 T Pdz2 8.156 1 -3 0 24
4645 332 3 Te 12 5 2 1 1 T Pdxz 8.156 1 -3 0 25
4646 332 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 -3 0 26
4647 333 2 Ge 1 4 0 0 1 F s 6.581 1 -3 0 27
4648 333 2 Ge 2 4 0 0 2 F s 4.412 1 -3 0 28
4649 333 2 Ge 3 4 1 -1 1 F py 9.340 1 -3 0 29
4650 333 2 Ge 4 4 1 0 1 F pz 9.340 1 -3 0 30
4651 333 2 Ge 5 4 1 1 1 F px 9.340 1 -3 0 31
4652 333 2 Ge 6 4 1 -1 2 F py 5.665 1 -3 0 32
4653 333 2 Ge 7 4 1 0 2 F pz 5.665 1 -3 0 33
4654 333 2 Ge 8 4 1 1 2 F px 5.665 1 -3 0 34
4655 333 2 Ge 9 4 2 -2 1 T Pdxy 9.340 1 -3 0 35
4656 333 2 Ge 10 4 2 -1 1 T Pdyz 9.340 1 -3 0 36
4657 333 2 Ge 11 4 2 0 1 T Pdz2 9.340 1 -3 0 37
4658 333 2 Ge 12 4 2 1 1 T Pdxz 9.340 1 -3 0 38
4659 333 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 1 -3 0 39
4660 334 1 Fe 1 4 0 0 1 F s 9.649 1 -3 0 40
4661 334 1 Fe 2 4 0 0 2 F s 6.885 1 -3 0 41
4662 334 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -3 0 42
4663 334 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -3 0 43
4664 334 1 Fe 5 3 2 0 1 F dz2 6.632 1 -3 0 44
4665 334 1 Fe 6 3 2 1 1 F dxz 6.632 1 -3 0 45
4666 334 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -3 0 46
4667 334 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -3 0 47
4668 334 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -3 0 48
4669 334 1 Fe 10 3 2 0 2 F dz2 2.565 1 -3 0 49
4670 334 1 Fe 11 3 2 1 2 F dxz 2.565 1 -3 0 50
4671 334 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -3 0 51
4672 334 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -3 0 52
4673 334 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -3 0 53
4674 334 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -3 0 54
4675 335 1 Fe 1 4 0 0 1 F s 9.649 1 -3 0 55
4676 335 1 Fe 2 4 0 0 2 F s 6.885 1 -3 0 56
4677 335 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -3 0 57
4678 335 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -3 0 58
4679 335 1 Fe 5 3 2 0 1 F dz2 6.632 1 -3 0 59
4680 335 1 Fe 6 3 2 1 1 F dxz 6.632 1 -3 0 60
4681 335 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -3 0 61
4682 335 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -3 0 62
4683 335 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -3 0 63
4684 335 1 Fe 10 3 2 0 2 F dz2 2.565 1 -3 0 64
4685 335 1 Fe 11 3 2 1 2 F dxz 2.565 1 -3 0 65
4686 335 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -3 0 66
4687 335 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -3 0 67
4688 335 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -3 0 68
4689 335 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -3 0 69
4690 336 1 Fe 1 4 0 0 1 F s 9.649 1 -3 0 70
4691 336 1 Fe 2 4 0 0 2 F s 6.885 1 -3 0 71
4692 336 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -3 0 72
4693 336 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -3 0 73
4694 336 1 Fe 5 3 2 0 1 F dz2 6.632 1 -3 0 74
4695 336 1 Fe 6 3 2 1 1 F dxz 6.632 1 -3 0 75
4696 336 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -3 0 76
4697 336 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -3 0 77
4698 336 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -3 0 78
4699 336 1 Fe 10 3 2 0 2 F dz2 2.565 1 -3 0 79
4700 336 1 Fe 11 3 2 1 2 F dxz 2.565 1 -3 0 80
4701 336 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -3 0 81
4702 336 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -3 0 82
4703 336 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -3 0 83
4704 336 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -3 0 84
4705 337 3 Te 1 5 0 0 1 F s 6.195 2 -3 0 1
4706 337 3 Te 2 5 0 0 2 F s 4.205 2 -3 0 2
4707 337 3 Te 3 5 1 -1 1 F py 8.156 2 -3 0 3
4708 337 3 Te 4 5 1 0 1 F pz 8.156 2 -3 0 4
4709 337 3 Te 5 5 1 1 1 F px 8.156 2 -3 0 5
4710 337 3 Te 6 5 1 -1 2 F py 5.009 2 -3 0 6
4711 337 3 Te 7 5 1 0 2 F pz 5.009 2 -3 0 7
4712 337 3 Te 8 5 1 1 2 F px 5.009 2 -3 0 8
4713 337 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 -3 0 9
4714 337 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 -3 0 10
4715 337 3 Te 11 5 2 0 1 T Pdz2 8.156 2 -3 0 11
4716 337 3 Te 12 5 2 1 1 T Pdxz 8.156 2 -3 0 12
4717 337 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 -3 0 13
4718 338 3 Te 1 5 0 0 1 F s 6.195 2 -3 0 14
4719 338 3 Te 2 5 0 0 2 F s 4.205 2 -3 0 15
4720 338 3 Te 3 5 1 -1 1 F py 8.156 2 -3 0 16
4721 338 3 Te 4 5 1 0 1 F pz 8.156 2 -3 0 17
4722 338 3 Te 5 5 1 1 1 F px 8.156 2 -3 0 18
4723 338 3 Te 6 5 1 -1 2 F py 5.009 2 -3 0 19
4724 338 3 Te 7 5 1 0 2 F pz 5.009 2 -3 0 20
4725 338 3 Te 8 5 1 1 2 F px 5.009 2 -3 0 21
4726 338 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 -3 0 22
4727 338 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 -3 0 23
4728 338 3 Te 11 5 2 0 1 T Pdz2 8.156 2 -3 0 24
4729 338 3 Te 12 5 2 1 1 T Pdxz 8.156 2 -3 0 25
4730 338 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 -3 0 26
4731 339 2 Ge 1 4 0 0 1 F s 6.581 2 -3 0 27
4732 339 2 Ge 2 4 0 0 2 F s 4.412 2 -3 0 28
4733 339 2 Ge 3 4 1 -1 1 F py 9.340 2 -3 0 29
4734 339 2 Ge 4 4 1 0 1 F pz 9.340 2 -3 0 30
4735 339 2 Ge 5 4 1 1 1 F px 9.340 2 -3 0 31
4736 339 2 Ge 6 4 1 -1 2 F py 5.665 2 -3 0 32
4737 339 2 Ge 7 4 1 0 2 F pz 5.665 2 -3 0 33
4738 339 2 Ge 8 4 1 1 2 F px 5.665 2 -3 0 34
4739 339 2 Ge 9 4 2 -2 1 T Pdxy 9.340 2 -3 0 35
4740 339 2 Ge 10 4 2 -1 1 T Pdyz 9.340 2 -3 0 36
4741 339 2 Ge 11 4 2 0 1 T Pdz2 9.340 2 -3 0 37
4742 339 2 Ge 12 4 2 1 1 T Pdxz 9.340 2 -3 0 38
4743 339 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 2 -3 0 39
4744 340 1 Fe 1 4 0 0 1 F s 9.649 2 -3 0 40
4745 340 1 Fe 2 4 0 0 2 F s 6.885 2 -3 0 41
4746 340 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -3 0 42
4747 340 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -3 0 43
4748 340 1 Fe 5 3 2 0 1 F dz2 6.632 2 -3 0 44
4749 340 1 Fe 6 3 2 1 1 F dxz 6.632 2 -3 0 45
4750 340 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -3 0 46
4751 340 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -3 0 47
4752 340 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -3 0 48
4753 340 1 Fe 10 3 2 0 2 F dz2 2.565 2 -3 0 49
4754 340 1 Fe 11 3 2 1 2 F dxz 2.565 2 -3 0 50
4755 340 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -3 0 51
4756 340 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -3 0 52
4757 340 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -3 0 53
4758 340 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -3 0 54
4759 341 1 Fe 1 4 0 0 1 F s 9.649 2 -3 0 55
4760 341 1 Fe 2 4 0 0 2 F s 6.885 2 -3 0 56
4761 341 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -3 0 57
4762 341 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -3 0 58
4763 341 1 Fe 5 3 2 0 1 F dz2 6.632 2 -3 0 59
4764 341 1 Fe 6 3 2 1 1 F dxz 6.632 2 -3 0 60
4765 341 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -3 0 61
4766 341 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -3 0 62
4767 341 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -3 0 63
4768 341 1 Fe 10 3 2 0 2 F dz2 2.565 2 -3 0 64
4769 341 1 Fe 11 3 2 1 2 F dxz 2.565 2 -3 0 65
4770 341 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -3 0 66
4771 341 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -3 0 67
4772 341 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -3 0 68
4773 341 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -3 0 69
4774 342 1 Fe 1 4 0 0 1 F s 9.649 2 -3 0 70
4775 342 1 Fe 2 4 0 0 2 F s 6.885 2 -3 0 71
4776 342 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -3 0 72
4777 342 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -3 0 73
4778 342 1 Fe 5 3 2 0 1 F dz2 6.632 2 -3 0 74
4779 342 1 Fe 6 3 2 1 1 F dxz 6.632 2 -3 0 75
4780 342 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -3 0 76
4781 342 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -3 0 77
4782 342 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -3 0 78
4783 342 1 Fe 10 3 2 0 2 F dz2 2.565 2 -3 0 79
4784 342 1 Fe 11 3 2 1 2 F dxz 2.565 2 -3 0 80
4785 342 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -3 0 81
4786 342 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -3 0 82
4787 342 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -3 0 83
4788 342 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -3 0 84
4789 343 3 Te 1 5 0 0 1 F s 6.195 3 -3 0 1
4790 343 3 Te 2 5 0 0 2 F s 4.205 3 -3 0 2
4791 343 3 Te 3 5 1 -1 1 F py 8.156 3 -3 0 3
4792 343 3 Te 4 5 1 0 1 F pz 8.156 3 -3 0 4
4793 343 3 Te 5 5 1 1 1 F px 8.156 3 -3 0 5
4794 343 3 Te 6 5 1 -1 2 F py 5.009 3 -3 0 6
4795 343 3 Te 7 5 1 0 2 F pz 5.009 3 -3 0 7
4796 343 3 Te 8 5 1 1 2 F px 5.009 3 -3 0 8
4797 343 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 -3 0 9
4798 343 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 -3 0 10
4799 343 3 Te 11 5 2 0 1 T Pdz2 8.156 3 -3 0 11
4800 343 3 Te 12 5 2 1 1 T Pdxz 8.156 3 -3 0 12
4801 343 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 -3 0 13
4802 344 3 Te 1 5 0 0 1 F s 6.195 3 -3 0 14
4803 344 3 Te 2 5 0 0 2 F s 4.205 3 -3 0 15
4804 344 3 Te 3 5 1 -1 1 F py 8.156 3 -3 0 16
4805 344 3 Te 4 5 1 0 1 F pz 8.156 3 -3 0 17
4806 344 3 Te 5 5 1 1 1 F px 8.156 3 -3 0 18
4807 344 3 Te 6 5 1 -1 2 F py 5.009 3 -3 0 19
4808 344 3 Te 7 5 1 0 2 F pz 5.009 3 -3 0 20
4809 344 3 Te 8 5 1 1 2 F px 5.009 3 -3 0 21
4810 344 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 -3 0 22
4811 344 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 -3 0 23
4812 344 3 Te 11 5 2 0 1 T Pdz2 8.156 3 -3 0 24
4813 344 3 Te 12 5 2 1 1 T Pdxz 8.156 3 -3 0 25
4814 344 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 -3 0 26
4815 345 2 Ge 1 4 0 0 1 F s 6.581 3 -3 0 27
4816 345 2 Ge 2 4 0 0 2 F s 4.412 3 -3 0 28
4817 345 2 Ge 3 4 1 -1 1 F py 9.340 3 -3 0 29
4818 345 2 Ge 4 4 1 0 1 F pz 9.340 3 -3 0 30
4819 345 2 Ge 5 4 1 1 1 F px 9.340 3 -3 0 31
4820 345 2 Ge 6 4 1 -1 2 F py 5.665 3 -3 0 32
4821 345 2 Ge 7 4 1 0 2 F pz 5.665 3 -3 0 33
4822 345 2 Ge 8 4 1 1 2 F px 5.665 3 -3 0 34
4823 345 2 Ge 9 4 2 -2 1 T Pdxy 9.340 3 -3 0 35
4824 345 2 Ge 10 4 2 -1 1 T Pdyz 9.340 3 -3 0 36
4825 345 2 Ge 11 4 2 0 1 T Pdz2 9.340 3 -3 0 37
4826 345 2 Ge 12 4 2 1 1 T Pdxz 9.340 3 -3 0 38
4827 345 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 3 -3 0 39
4828 346 1 Fe 1 4 0 0 1 F s 9.649 3 -3 0 40
4829 346 1 Fe 2 4 0 0 2 F s 6.885 3 -3 0 41
4830 346 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -3 0 42
4831 346 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -3 0 43
4832 346 1 Fe 5 3 2 0 1 F dz2 6.632 3 -3 0 44
4833 346 1 Fe 6 3 2 1 1 F dxz 6.632 3 -3 0 45
4834 346 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -3 0 46
4835 346 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -3 0 47
4836 346 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -3 0 48
4837 346 1 Fe 10 3 2 0 2 F dz2 2.565 3 -3 0 49
4838 346 1 Fe 11 3 2 1 2 F dxz 2.565 3 -3 0 50
4839 346 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -3 0 51
4840 346 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -3 0 52
4841 346 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -3 0 53
4842 346 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -3 0 54
4843 347 1 Fe 1 4 0 0 1 F s 9.649 3 -3 0 55
4844 347 1 Fe 2 4 0 0 2 F s 6.885 3 -3 0 56
4845 347 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -3 0 57
4846 347 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -3 0 58
4847 347 1 Fe 5 3 2 0 1 F dz2 6.632 3 -3 0 59
4848 347 1 Fe 6 3 2 1 1 F dxz 6.632 3 -3 0 60
4849 347 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -3 0 61
4850 347 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -3 0 62
4851 347 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -3 0 63
4852 347 1 Fe 10 3 2 0 2 F dz2 2.565 3 -3 0 64
4853 347 1 Fe 11 3 2 1 2 F dxz 2.565 3 -3 0 65
4854 347 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -3 0 66
4855 347 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -3 0 67
4856 347 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -3 0 68
4857 347 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -3 0 69
4858 348 1 Fe 1 4 0 0 1 F s 9.649 3 -3 0 70
4859 348 1 Fe 2 4 0 0 2 F s 6.885 3 -3 0 71
4860 348 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -3 0 72
4861 348 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -3 0 73
4862 348 1 Fe 5 3 2 0 1 F dz2 6.632 3 -3 0 74
4863 348 1 Fe 6 3 2 1 1 F dxz 6.632 3 -3 0 75
4864 348 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -3 0 76
4865 348 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -3 0 77
4866 348 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -3 0 78
4867 348 1 Fe 10 3 2 0 2 F dz2 2.565 3 -3 0 79
4868 348 1 Fe 11 3 2 1 2 F dxz 2.565 3 -3 0 80
4869 348 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -3 0 81
4870 348 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -3 0 82
4871 348 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -3 0 83
4872 348 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -3 0 84
4873 349 3 Te 1 5 0 0 1 F s 6.195 4 -3 0 1
4874 349 3 Te 2 5 0 0 2 F s 4.205 4 -3 0 2
4875 349 3 Te 3 5 1 -1 1 F py 8.156 4 -3 0 3
4876 349 3 Te 4 5 1 0 1 F pz 8.156 4 -3 0 4
4877 349 3 Te 5 5 1 1 1 F px 8.156 4 -3 0 5
4878 349 3 Te 6 5 1 -1 2 F py 5.009 4 -3 0 6
4879 349 3 Te 7 5 1 0 2 F pz 5.009 4 -3 0 7
4880 349 3 Te 8 5 1 1 2 F px 5.009 4 -3 0 8
4881 349 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 -3 0 9
4882 349 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 -3 0 10
4883 349 3 Te 11 5 2 0 1 T Pdz2 8.156 4 -3 0 11
4884 349 3 Te 12 5 2 1 1 T Pdxz 8.156 4 -3 0 12
4885 349 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 -3 0 13
4886 350 3 Te 1 5 0 0 1 F s 6.195 4 -3 0 14
4887 350 3 Te 2 5 0 0 2 F s 4.205 4 -3 0 15
4888 350 3 Te 3 5 1 -1 1 F py 8.156 4 -3 0 16
4889 350 3 Te 4 5 1 0 1 F pz 8.156 4 -3 0 17
4890 350 3 Te 5 5 1 1 1 F px 8.156 4 -3 0 18
4891 350 3 Te 6 5 1 -1 2 F py 5.009 4 -3 0 19
4892 350 3 Te 7 5 1 0 2 F pz 5.009 4 -3 0 20
4893 350 3 Te 8 5 1 1 2 F px 5.009 4 -3 0 21
4894 350 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 -3 0 22
4895 350 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 -3 0 23
4896 350 3 Te 11 5 2 0 1 T Pdz2 8.156 4 -3 0 24
4897 350 3 Te 12 5 2 1 1 T Pdxz 8.156 4 -3 0 25
4898 350 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 -3 0 26
4899 351 2 Ge 1 4 0 0 1 F s 6.581 4 -3 0 27
4900 351 2 Ge 2 4 0 0 2 F s 4.412 4 -3 0 28
4901 351 2 Ge 3 4 1 -1 1 F py 9.340 4 -3 0 29
4902 351 2 Ge 4 4 1 0 1 F pz 9.340 4 -3 0 30
4903 351 2 Ge 5 4 1 1 1 F px 9.340 4 -3 0 31
4904 351 2 Ge 6 4 1 -1 2 F py 5.665 4 -3 0 32
4905 351 2 Ge 7 4 1 0 2 F pz 5.665 4 -3 0 33
4906 351 2 Ge 8 4 1 1 2 F px 5.665 4 -3 0 34
4907 351 2 Ge 9 4 2 -2 1 T Pdxy 9.340 4 -3 0 35
4908 351 2 Ge 10 4 2 -1 1 T Pdyz 9.340 4 -3 0 36
4909 351 2 Ge 11 4 2 0 1 T Pdz2 9.340 4 -3 0 37
4910 351 2 Ge 12 4 2 1 1 T Pdxz 9.340 4 -3 0 38
4911 351 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 4 -3 0 39
4912 352 1 Fe 1 4 0 0 1 F s 9.649 4 -3 0 40
4913 352 1 Fe 2 4 0 0 2 F s 6.885 4 -3 0 41
4914 352 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -3 0 42
4915 352 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -3 0 43
4916 352 1 Fe 5 3 2 0 1 F dz2 6.632 4 -3 0 44
4917 352 1 Fe 6 3 2 1 1 F dxz 6.632 4 -3 0 45
4918 352 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -3 0 46
4919 352 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -3 0 47
4920 352 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -3 0 48
4921 352 1 Fe 10 3 2 0 2 F dz2 2.565 4 -3 0 49
4922 352 1 Fe 11 3 2 1 2 F dxz 2.565 4 -3 0 50
4923 352 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -3 0 51
4924 352 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -3 0 52
4925 352 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -3 0 53
4926 352 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -3 0 54
4927 353 1 Fe 1 4 0 0 1 F s 9.649 4 -3 0 55
4928 353 1 Fe 2 4 0 0 2 F s 6.885 4 -3 0 56
4929 353 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -3 0 57
4930 353 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -3 0 58
4931 353 1 Fe 5 3 2 0 1 F dz2 6.632 4 -3 0 59
4932 353 1 Fe 6 3 2 1 1 F dxz 6.632 4 -3 0 60
4933 353 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -3 0 61
4934 353 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -3 0 62
4935 353 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -3 0 63
4936 353 1 Fe 10 3 2 0 2 F dz2 2.565 4 -3 0 64
4937 353 1 Fe 11 3 2 1 2 F dxz 2.565 4 -3 0 65
4938 353 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -3 0 66
4939 353 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -3 0 67
4940 353 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -3 0 68
4941 353 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -3 0 69
4942 354 1 Fe 1 4 0 0 1 F s 9.649 4 -3 0 70
4943 354 1 Fe 2 4 0 0 2 F s 6.885 4 -3 0 71
4944 354 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -3 0 72
4945 354 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -3 0 73
4946 354 1 Fe 5 3 2 0 1 F dz2 6.632 4 -3 0 74
4947 354 1 Fe 6 3 2 1 1 F dxz 6.632 4 -3 0 75
4948 354 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -3 0 76
4949 354 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -3 0 77
4950 354 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -3 0 78
4951 354 1 Fe 10 3 2 0 2 F dz2 2.565 4 -3 0 79
4952 354 1 Fe 11 3 2 1 2 F dxz 2.565 4 -3 0 80
4953 354 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -3 0 81
4954 354 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -3 0 82
4955 354 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -3 0 83
4956 354 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -3 0 84
4957 355 3 Te 1 5 0 0 1 F s 6.195 -4 -3 0 1
4958 355 3 Te 2 5 0 0 2 F s 4.205 -4 -3 0 2
4959 355 3 Te 3 5 1 -1 1 F py 8.156 -4 -3 0 3
4960 355 3 Te 4 5 1 0 1 F pz 8.156 -4 -3 0 4
4961 355 3 Te 5 5 1 1 1 F px 8.156 -4 -3 0 5
4962 355 3 Te 6 5 1 -1 2 F py 5.009 -4 -3 0 6
4963 355 3 Te 7 5 1 0 2 F pz 5.009 -4 -3 0 7
4964 355 3 Te 8 5 1 1 2 F px 5.009 -4 -3 0 8
4965 355 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 -3 0 9
4966 355 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 -3 0 10
4967 355 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 -3 0 11
4968 355 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 -3 0 12
4969 355 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 -3 0 13
4970 356 3 Te 1 5 0 0 1 F s 6.195 -4 -3 0 14
4971 356 3 Te 2 5 0 0 2 F s 4.205 -4 -3 0 15
4972 356 3 Te 3 5 1 -1 1 F py 8.156 -4 -3 0 16
4973 356 3 Te 4 5 1 0 1 F pz 8.156 -4 -3 0 17
4974 356 3 Te 5 5 1 1 1 F px 8.156 -4 -3 0 18
4975 356 3 Te 6 5 1 -1 2 F py 5.009 -4 -3 0 19
4976 356 3 Te 7 5 1 0 2 F pz 5.009 -4 -3 0 20
4977 356 3 Te 8 5 1 1 2 F px 5.009 -4 -3 0 21
4978 356 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 -3 0 22
4979 356 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 -3 0 23
4980 356 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 -3 0 24
4981 356 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 -3 0 25
4982 356 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 -3 0 26
4983 357 2 Ge 1 4 0 0 1 F s 6.581 -4 -3 0 27
4984 357 2 Ge 2 4 0 0 2 F s 4.412 -4 -3 0 28
4985 357 2 Ge 3 4 1 -1 1 F py 9.340 -4 -3 0 29
4986 357 2 Ge 4 4 1 0 1 F pz 9.340 -4 -3 0 30
4987 357 2 Ge 5 4 1 1 1 F px 9.340 -4 -3 0 31
4988 357 2 Ge 6 4 1 -1 2 F py 5.665 -4 -3 0 32
4989 357 2 Ge 7 4 1 0 2 F pz 5.665 -4 -3 0 33
4990 357 2 Ge 8 4 1 1 2 F px 5.665 -4 -3 0 34
4991 357 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -4 -3 0 35
4992 357 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -4 -3 0 36
4993 357 2 Ge 11 4 2 0 1 T Pdz2 9.340 -4 -3 0 37
4994 357 2 Ge 12 4 2 1 1 T Pdxz 9.340 -4 -3 0 38
4995 357 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -4 -3 0 39
4996 358 1 Fe 1 4 0 0 1 F s 9.649 -4 -3 0 40
4997 358 1 Fe 2 4 0 0 2 F s 6.885 -4 -3 0 41
4998 358 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -3 0 42
4999 358 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -3 0 43
5000 358 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -3 0 44
5001 358 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -3 0 45
5002 358 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -3 0 46
5003 358 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -3 0 47
5004 358 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -3 0 48
5005 358 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -3 0 49
5006 358 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -3 0 50
5007 358 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -3 0 51
5008 358 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -3 0 52
5009 358 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -3 0 53
5010 358 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -3 0 54
5011 359 1 Fe 1 4 0 0 1 F s 9.649 -4 -3 0 55
5012 359 1 Fe 2 4 0 0 2 F s 6.885 -4 -3 0 56
5013 359 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -3 0 57
5014 359 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -3 0 58
5015 359 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -3 0 59
5016 359 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -3 0 60
5017 359 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -3 0 61
5018 359 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -3 0 62
5019 359 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -3 0 63
5020 359 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -3 0 64
5021 359 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -3 0 65
5022 359 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -3 0 66
5023 359 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -3 0 67
5024 359 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -3 0 68
5025 359 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -3 0 69
5026 360 1 Fe 1 4 0 0 1 F s 9.649 -4 -3 0 70
5027 360 1 Fe 2 4 0 0 2 F s 6.885 -4 -3 0 71
5028 360 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -3 0 72
5029 360 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -3 0 73
5030 360 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -3 0 74
5031 360 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -3 0 75
5032 360 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -3 0 76
5033 360 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -3 0 77
5034 360 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -3 0 78
5035 360 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -3 0 79
5036 360 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -3 0 80
5037 360 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -3 0 81
5038 360 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -3 0 82
5039 360 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -3 0 83
5040 360 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -3 0 84
5041 361 3 Te 1 5 0 0 1 F s 6.195 -3 -3 0 1
5042 361 3 Te 2 5 0 0 2 F s 4.205 -3 -3 0 2
5043 361 3 Te 3 5 1 -1 1 F py 8.156 -3 -3 0 3
5044 361 3 Te 4 5 1 0 1 F pz 8.156 -3 -3 0 4
5045 361 3 Te 5 5 1 1 1 F px 8.156 -3 -3 0 5
5046 361 3 Te 6 5 1 -1 2 F py 5.009 -3 -3 0 6
5047 361 3 Te 7 5 1 0 2 F pz 5.009 -3 -3 0 7
5048 361 3 Te 8 5 1 1 2 F px 5.009 -3 -3 0 8
5049 361 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 -3 0 9
5050 361 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 -3 0 10
5051 361 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 -3 0 11
5052 361 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 -3 0 12
5053 361 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 -3 0 13
5054 362 3 Te 1 5 0 0 1 F s 6.195 -3 -3 0 14
5055 362 3 Te 2 5 0 0 2 F s 4.205 -3 -3 0 15
5056 362 3 Te 3 5 1 -1 1 F py 8.156 -3 -3 0 16
5057 362 3 Te 4 5 1 0 1 F pz 8.156 -3 -3 0 17
5058 362 3 Te 5 5 1 1 1 F px 8.156 -3 -3 0 18
5059 362 3 Te 6 5 1 -1 2 F py 5.009 -3 -3 0 19
5060 362 3 Te 7 5 1 0 2 F pz 5.009 -3 -3 0 20
5061 362 3 Te 8 5 1 1 2 F px 5.009 -3 -3 0 21
5062 362 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 -3 0 22
5063 362 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 -3 0 23
5064 362 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 -3 0 24
5065 362 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 -3 0 25
5066 362 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 -3 0 26
5067 363 2 Ge 1 4 0 0 1 F s 6.581 -3 -3 0 27
5068 363 2 Ge 2 4 0 0 2 F s 4.412 -3 -3 0 28
5069 363 2 Ge 3 4 1 -1 1 F py 9.340 -3 -3 0 29
5070 363 2 Ge 4 4 1 0 1 F pz 9.340 -3 -3 0 30
5071 363 2 Ge 5 4 1 1 1 F px 9.340 -3 -3 0 31
5072 363 2 Ge 6 4 1 -1 2 F py 5.665 -3 -3 0 32
5073 363 2 Ge 7 4 1 0 2 F pz 5.665 -3 -3 0 33
5074 363 2 Ge 8 4 1 1 2 F px 5.665 -3 -3 0 34
5075 363 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -3 -3 0 35
5076 363 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -3 -3 0 36
5077 363 2 Ge 11 4 2 0 1 T Pdz2 9.340 -3 -3 0 37
5078 363 2 Ge 12 4 2 1 1 T Pdxz 9.340 -3 -3 0 38
5079 363 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -3 -3 0 39
5080 364 1 Fe 1 4 0 0 1 F s 9.649 -3 -3 0 40
5081 364 1 Fe 2 4 0 0 2 F s 6.885 -3 -3 0 41
5082 364 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -3 0 42
5083 364 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -3 0 43
5084 364 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -3 0 44
5085 364 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -3 0 45
5086 364 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -3 0 46
5087 364 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -3 0 47
5088 364 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -3 0 48
5089 364 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -3 0 49
5090 364 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -3 0 50
5091 364 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -3 0 51
5092 364 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -3 0 52
5093 364 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -3 0 53
5094 364 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -3 0 54
5095 365 1 Fe 1 4 0 0 1 F s 9.649 -3 -3 0 55
5096 365 1 Fe 2 4 0 0 2 F s 6.885 -3 -3 0 56
5097 365 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -3 0 57
5098 365 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -3 0 58
5099 365 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -3 0 59
5100 365 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -3 0 60
5101 365 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -3 0 61
5102 365 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -3 0 62
5103 365 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -3 0 63
5104 365 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -3 0 64
5105 365 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -3 0 65
5106 365 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -3 0 66
5107 365 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -3 0 67
5108 365 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -3 0 68
5109 365 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -3 0 69
5110 366 1 Fe 1 4 0 0 1 F s 9.649 -3 -3 0 70
5111 366 1 Fe 2 4 0 0 2 F s 6.885 -3 -3 0 71
5112 366 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -3 0 72
5113 366 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -3 0 73
5114 366 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -3 0 74
5115 366 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -3 0 75
5116 366 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -3 0 76
5117 366 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -3 0 77
5118 366 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -3 0 78
5119 366 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -3 0 79
5120 366 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -3 0 80
5121 366 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -3 0 81
5122 366 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -3 0 82
5123 366 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -3 0 83
5124 366 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -3 0 84
5125 367 3 Te 1 5 0 0 1 F s 6.195 -2 -3 0 1
5126 367 3 Te 2 5 0 0 2 F s 4.205 -2 -3 0 2
5127 367 3 Te 3 5 1 -1 1 F py 8.156 -2 -3 0 3
5128 367 3 Te 4 5 1 0 1 F pz 8.156 -2 -3 0 4
5129 367 3 Te 5 5 1 1 1 F px 8.156 -2 -3 0 5
5130 367 3 Te 6 5 1 -1 2 F py 5.009 -2 -3 0 6
5131 367 3 Te 7 5 1 0 2 F pz 5.009 -2 -3 0 7
5132 367 3 Te 8 5 1 1 2 F px 5.009 -2 -3 0 8
5133 367 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 -3 0 9
5134 367 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 -3 0 10
5135 367 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 -3 0 11
5136 367 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 -3 0 12
5137 367 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 -3 0 13
5138 368 3 Te 1 5 0 0 1 F s 6.195 -2 -3 0 14
5139 368 3 Te 2 5 0 0 2 F s 4.205 -2 -3 0 15
5140 368 3 Te 3 5 1 -1 1 F py 8.156 -2 -3 0 16
5141 368 3 Te 4 5 1 0 1 F pz 8.156 -2 -3 0 17
5142 368 3 Te 5 5 1 1 1 F px 8.156 -2 -3 0 18
5143 368 3 Te 6 5 1 -1 2 F py 5.009 -2 -3 0 19
5144 368 3 Te 7 5 1 0 2 F pz 5.009 -2 -3 0 20
5145 368 3 Te 8 5 1 1 2 F px 5.009 -2 -3 0 21
5146 368 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 -3 0 22
5147 368 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 -3 0 23
5148 368 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 -3 0 24
5149 368 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 -3 0 25
5150 368 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 -3 0 26
5151 369 2 Ge 1 4 0 0 1 F s 6.581 -2 -3 0 27
5152 369 2 Ge 2 4 0 0 2 F s 4.412 -2 -3 0 28
5153 369 2 Ge 3 4 1 -1 1 F py 9.340 -2 -3 0 29
5154 369 2 Ge 4 4 1 0 1 F pz 9.340 -2 -3 0 30
5155 369 2 Ge 5 4 1 1 1 F px 9.340 -2 -3 0 31
5156 369 2 Ge 6 4 1 -1 2 F py 5.665 -2 -3 0 32
5157 369 2 Ge 7 4 1 0 2 F pz 5.665 -2 -3 0 33
5158 369 2 Ge 8 4 1 1 2 F px 5.665 -2 -3 0 34
5159 369 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -2 -3 0 35
5160 369 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -2 -3 0 36
5161 369 2 Ge 11 4 2 0 1 T Pdz2 9.340 -2 -3 0 37
5162 369 2 Ge 12 4 2 1 1 T Pdxz 9.340 -2 -3 0 38
5163 369 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -2 -3 0 39
5164 370 1 Fe 1 4 0 0 1 F s 9.649 -2 -3 0 40
5165 370 1 Fe 2 4 0 0 2 F s 6.885 -2 -3 0 41
5166 370 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -3 0 42
5167 370 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -3 0 43
5168 370 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -3 0 44
5169 370 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -3 0 45
5170 370 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -3 0 46
5171 370 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -3 0 47
5172 370 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -3 0 48
5173 370 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -3 0 49
5174 370 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -3 0 50
5175 370 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -3 0 51
5176 370 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -3 0 52
5177 370 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -3 0 53
5178 370 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -3 0 54
5179 371 1 Fe 1 4 0 0 1 F s 9.649 -2 -3 0 55
5180 371 1 Fe 2 4 0 0 2 F s 6.885 -2 -3 0 56
5181 371 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -3 0 57
5182 371 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -3 0 58
5183 371 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -3 0 59
5184 371 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -3 0 60
5185 371 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -3 0 61
5186 371 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -3 0 62
5187 371 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -3 0 63
5188 371 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -3 0 64
5189 371 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -3 0 65
5190 371 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -3 0 66
5191 371 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -3 0 67
5192 371 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -3 0 68
5193 371 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -3 0 69
5194 372 1 Fe 1 4 0 0 1 F s 9.649 -2 -3 0 70
5195 372 1 Fe 2 4 0 0 2 F s 6.885 -2 -3 0 71
5196 372 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -3 0 72
5197 372 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -3 0 73
5198 372 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -3 0 74
5199 372 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -3 0 75
5200 372 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -3 0 76
5201 372 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -3 0 77
5202 372 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -3 0 78
5203 372 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -3 0 79
5204 372 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -3 0 80
5205 372 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -3 0 81
5206 372 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -3 0 82
5207 372 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -3 0 83
5208 372 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -3 0 84
5209 373 3 Te 1 5 0 0 1 F s 6.195 -1 -3 0 1
5210 373 3 Te 2 5 0 0 2 F s 4.205 -1 -3 0 2
5211 373 3 Te 3 5 1 -1 1 F py 8.156 -1 -3 0 3
5212 373 3 Te 4 5 1 0 1 F pz 8.156 -1 -3 0 4
5213 373 3 Te 5 5 1 1 1 F px 8.156 -1 -3 0 5
5214 373 3 Te 6 5 1 -1 2 F py 5.009 -1 -3 0 6
5215 373 3 Te 7 5 1 0 2 F pz 5.009 -1 -3 0 7
5216 373 3 Te 8 5 1 1 2 F px 5.009 -1 -3 0 8
5217 373 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 -3 0 9
5218 373 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 -3 0 10
5219 373 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 -3 0 11
5220 373 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 -3 0 12
5221 373 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 -3 0 13
5222 374 3 Te 1 5 0 0 1 F s 6.195 -1 -3 0 14
5223 374 3 Te 2 5 0 0 2 F s 4.205 -1 -3 0 15
5224 374 3 Te 3 5 1 -1 1 F py 8.156 -1 -3 0 16
5225 374 3 Te 4 5 1 0 1 F pz 8.156 -1 -3 0 17
5226 374 3 Te 5 5 1 1 1 F px 8.156 -1 -3 0 18
5227 374 3 Te 6 5 1 -1 2 F py 5.009 -1 -3 0 19
5228 374 3 Te 7 5 1 0 2 F pz 5.009 -1 -3 0 20
5229 374 3 Te 8 5 1 1 2 F px 5.009 -1 -3 0 21
5230 374 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 -3 0 22
5231 374 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 -3 0 23
5232 374 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 -3 0 24
5233 374 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 -3 0 25
5234 374 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 -3 0 26
5235 375 2 Ge 1 4 0 0 1 F s 6.581 -1 -3 0 27
5236 375 2 Ge 2 4 0 0 2 F s 4.412 -1 -3 0 28
5237 375 2 Ge 3 4 1 -1 1 F py 9.340 -1 -3 0 29
5238 375 2 Ge 4 4 1 0 1 F pz 9.340 -1 -3 0 30
5239 375 2 Ge 5 4 1 1 1 F px 9.340 -1 -3 0 31
5240 375 2 Ge 6 4 1 -1 2 F py 5.665 -1 -3 0 32
5241 375 2 Ge 7 4 1 0 2 F pz 5.665 -1 -3 0 33
5242 375 2 Ge 8 4 1 1 2 F px 5.665 -1 -3 0 34
5243 375 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -1 -3 0 35
5244 375 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -1 -3 0 36
5245 375 2 Ge 11 4 2 0 1 T Pdz2 9.340 -1 -3 0 37
5246 375 2 Ge 12 4 2 1 1 T Pdxz 9.340 -1 -3 0 38
5247 375 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -1 -3 0 39
5248 376 1 Fe 1 4 0 0 1 F s 9.649 -1 -3 0 40
5249 376 1 Fe 2 4 0 0 2 F s 6.885 -1 -3 0 41
5250 376 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -3 0 42
5251 376 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -3 0 43
5252 376 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -3 0 44
5253 376 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -3 0 45
5254 376 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -3 0 46
5255 376 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -3 0 47
5256 376 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -3 0 48
5257 376 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -3 0 49
5258 376 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -3 0 50
5259 376 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -3 0 51
5260 376 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -3 0 52
5261 376 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -3 0 53
5262 376 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -3 0 54
5263 377 1 Fe 1 4 0 0 1 F s 9.649 -1 -3 0 55
5264 377 1 Fe 2 4 0 0 2 F s 6.885 -1 -3 0 56
5265 377 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -3 0 57
5266 377 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -3 0 58
5267 377 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -3 0 59
5268 377 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -3 0 60
5269 377 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -3 0 61
5270 377 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -3 0 62
5271 377 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -3 0 63
5272 377 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -3 0 64
5273 377 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -3 0 65
5274 377 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -3 0 66
5275 377 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -3 0 67
5276 377 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -3 0 68
5277 377 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -3 0 69
5278 378 1 Fe 1 4 0 0 1 F s 9.649 -1 -3 0 70
5279 378 1 Fe 2 4 0 0 2 F s 6.885 -1 -3 0 71
5280 378 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -3 0 72
5281 378 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -3 0 73
5282 378 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -3 0 74
5283 378 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -3 0 75
5284 378 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -3 0 76
5285 378 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -3 0 77
5286 378 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -3 0 78
5287 378 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -3 0 79
5288 378 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -3 0 80
5289 378 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -3 0 81
5290 378 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -3 0 82
5291 378 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -3 0 83
5292 378 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -3 0 84
5293 379 3 Te 1 5 0 0 1 F s 6.195 0 -2 0 1
5294 379 3 Te 2 5 0 0 2 F s 4.205 0 -2 0 2
5295 379 3 Te 3 5 1 -1 1 F py 8.156 0 -2 0 3
5296 379 3 Te 4 5 1 0 1 F pz 8.156 0 -2 0 4
5297 379 3 Te 5 5 1 1 1 F px 8.156 0 -2 0 5
5298 379 3 Te 6 5 1 -1 2 F py 5.009 0 -2 0 6
5299 379 3 Te 7 5 1 0 2 F pz 5.009 0 -2 0 7
5300 379 3 Te 8 5 1 1 2 F px 5.009 0 -2 0 8
5301 379 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 -2 0 9
5302 379 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 -2 0 10
5303 379 3 Te 11 5 2 0 1 T Pdz2 8.156 0 -2 0 11
5304 379 3 Te 12 5 2 1 1 T Pdxz 8.156 0 -2 0 12
5305 379 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 -2 0 13
5306 380 3 Te 1 5 0 0 1 F s 6.195 0 -2 0 14
5307 380 3 Te 2 5 0 0 2 F s 4.205 0 -2 0 15
5308 380 3 Te 3 5 1 -1 1 F py 8.156 0 -2 0 16
5309 380 3 Te 4 5 1 0 1 F pz 8.156 0 -2 0 17
5310 380 3 Te 5 5 1 1 1 F px 8.156 0 -2 0 18
5311 380 3 Te 6 5 1 -1 2 F py 5.009 0 -2 0 19
5312 380 3 Te 7 5 1 0 2 F pz 5.009 0 -2 0 20
5313 380 3 Te 8 5 1 1 2 F px 5.009 0 -2 0 21
5314 380 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 -2 0 22
5315 380 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 -2 0 23
5316 380 3 Te 11 5 2 0 1 T Pdz2 8.156 0 -2 0 24
5317 380 3 Te 12 5 2 1 1 T Pdxz 8.156 0 -2 0 25
5318 380 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 -2 0 26
5319 381 2 Ge 1 4 0 0 1 F s 6.581 0 -2 0 27
5320 381 2 Ge 2 4 0 0 2 F s 4.412 0 -2 0 28
5321 381 2 Ge 3 4 1 -1 1 F py 9.340 0 -2 0 29
5322 381 2 Ge 4 4 1 0 1 F pz 9.340 0 -2 0 30
5323 381 2 Ge 5 4 1 1 1 F px 9.340 0 -2 0 31
5324 381 2 Ge 6 4 1 -1 2 F py 5.665 0 -2 0 32
5325 381 2 Ge 7 4 1 0 2 F pz 5.665 0 -2 0 33
5326 381 2 Ge 8 4 1 1 2 F px 5.665 0 -2 0 34
5327 381 2 Ge 9 4 2 -2 1 T Pdxy 9.340 0 -2 0 35
5328 381 2 Ge 10 4 2 -1 1 T Pdyz 9.340 0 -2 0 36
5329 381 2 Ge 11 4 2 0 1 T Pdz2 9.340 0 -2 0 37
5330 381 2 Ge 12 4 2 1 1 T Pdxz 9.340 0 -2 0 38
5331 381 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 0 -2 0 39
5332 382 1 Fe 1 4 0 0 1 F s 9.649 0 -2 0 40
5333 382 1 Fe 2 4 0 0 2 F s 6.885 0 -2 0 41
5334 382 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -2 0 42
5335 382 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -2 0 43
5336 382 1 Fe 5 3 2 0 1 F dz2 6.632 0 -2 0 44
5337 382 1 Fe 6 3 2 1 1 F dxz 6.632 0 -2 0 45
5338 382 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -2 0 46
5339 382 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -2 0 47
5340 382 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -2 0 48
5341 382 1 Fe 10 3 2 0 2 F dz2 2.565 0 -2 0 49
5342 382 1 Fe 11 3 2 1 2 F dxz 2.565 0 -2 0 50
5343 382 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -2 0 51
5344 382 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -2 0 52
5345 382 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -2 0 53
5346 382 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -2 0 54
5347 383 1 Fe 1 4 0 0 1 F s 9.649 0 -2 0 55
5348 383 1 Fe 2 4 0 0 2 F s 6.885 0 -2 0 56
5349 383 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -2 0 57
5350 383 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -2 0 58
5351 383 1 Fe 5 3 2 0 1 F dz2 6.632 0 -2 0 59
5352 383 1 Fe 6 3 2 1 1 F dxz 6.632 0 -2 0 60
5353 383 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -2 0 61
5354 383 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -2 0 62
5355 383 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -2 0 63
5356 383 1 Fe 10 3 2 0 2 F dz2 2.565 0 -2 0 64
5357 383 1 Fe 11 3 2 1 2 F dxz 2.565 0 -2 0 65
5358 383 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -2 0 66
5359 383 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -2 0 67
5360 383 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -2 0 68
5361 383 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -2 0 69
5362 384 1 Fe 1 4 0 0 1 F s 9.649 0 -2 0 70
5363 384 1 Fe 2 4 0 0 2 F s 6.885 0 -2 0 71
5364 384 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -2 0 72
5365 384 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -2 0 73
5366 384 1 Fe 5 3 2 0 1 F dz2 6.632 0 -2 0 74
5367 384 1 Fe 6 3 2 1 1 F dxz 6.632 0 -2 0 75
5368 384 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -2 0 76
5369 384 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -2 0 77
5370 384 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -2 0 78
5371 384 1 Fe 10 3 2 0 2 F dz2 2.565 0 -2 0 79
5372 384 1 Fe 11 3 2 1 2 F dxz 2.565 0 -2 0 80
5373 384 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -2 0 81
5374 384 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -2 0 82
5375 384 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -2 0 83
5376 384 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -2 0 84
5377 385 3 Te 1 5 0 0 1 F s 6.195 1 -2 0 1
5378 385 3 Te 2 5 0 0 2 F s 4.205 1 -2 0 2
5379 385 3 Te 3 5 1 -1 1 F py 8.156 1 -2 0 3
5380 385 3 Te 4 5 1 0 1 F pz 8.156 1 -2 0 4
5381 385 3 Te 5 5 1 1 1 F px 8.156 1 -2 0 5
5382 385 3 Te 6 5 1 -1 2 F py 5.009 1 -2 0 6
5383 385 3 Te 7 5 1 0 2 F pz 5.009 1 -2 0 7
5384 385 3 Te 8 5 1 1 2 F px 5.009 1 -2 0 8
5385 385 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 -2 0 9
5386 385 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 -2 0 10
5387 385 3 Te 11 5 2 0 1 T Pdz2 8.156 1 -2 0 11
5388 385 3 Te 12 5 2 1 1 T Pdxz 8.156 1 -2 0 12
5389 385 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 -2 0 13
5390 386 3 Te 1 5 0 0 1 F s 6.195 1 -2 0 14
5391 386 3 Te 2 5 0 0 2 F s 4.205 1 -2 0 15
5392 386 3 Te 3 5 1 -1 1 F py 8.156 1 -2 0 16
5393 386 3 Te 4 5 1 0 1 F pz 8.156 1 -2 0 17
5394 386 3 Te 5 5 1 1 1 F px 8.156 1 -2 0 18
5395 386 3 Te 6 5 1 -1 2 F py 5.009 1 -2 0 19
5396 386 3 Te 7 5 1 0 2 F pz 5.009 1 -2 0 20
5397 386 3 Te 8 5 1 1 2 F px 5.009 1 -2 0 21
5398 386 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 -2 0 22
5399 386 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 -2 0 23
5400 386 3 Te 11 5 2 0 1 T Pdz2 8.156 1 -2 0 24
5401 386 3 Te 12 5 2 1 1 T Pdxz 8.156 1 -2 0 25
5402 386 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 -2 0 26
5403 387 2 Ge 1 4 0 0 1 F s 6.581 1 -2 0 27
5404 387 2 Ge 2 4 0 0 2 F s 4.412 1 -2 0 28
5405 387 2 Ge 3 4 1 -1 1 F py 9.340 1 -2 0 29
5406 387 2 Ge 4 4 1 0 1 F pz 9.340 1 -2 0 30
5407 387 2 Ge 5 4 1 1 1 F px 9.340 1 -2 0 31
5408 387 2 Ge 6 4 1 -1 2 F py 5.665 1 -2 0 32
5409 387 2 Ge 7 4 1 0 2 F pz 5.665 1 -2 0 33
5410 387 2 Ge 8 4 1 1 2 F px 5.665 1 -2 0 34
5411 387 2 Ge 9 4 2 -2 1 T Pdxy 9.340 1 -2 0 35
5412 387 2 Ge 10 4 2 -1 1 T Pdyz 9.340 1 -2 0 36
5413 387 2 Ge 11 4 2 0 1 T Pdz2 9.340 1 -2 0 37
5414 387 2 Ge 12 4 2 1 1 T Pdxz 9.340 1 -2 0 38
5415 387 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 1 -2 0 39
5416 388 1 Fe 1 4 0 0 1 F s 9.649 1 -2 0 40
5417 388 1 Fe 2 4 0 0 2 F s 6.885 1 -2 0 41
5418 388 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -2 0 42
5419 388 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -2 0 43
5420 388 1 Fe 5 3 2 0 1 F dz2 6.632 1 -2 0 44
5421 388 1 Fe 6 3 2 1 1 F dxz 6.632 1 -2 0 45
5422 388 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -2 0 46
5423 388 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -2 0 47
5424 388 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -2 0 48
5425 388 1 Fe 10 3 2 0 2 F dz2 2.565 1 -2 0 49
5426 388 1 Fe 11 3 2 1 2 F dxz 2.565 1 -2 0 50
5427 388 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -2 0 51
5428 388 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -2 0 52
5429 388 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -2 0 53
5430 388 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -2 0 54
5431 389 1 Fe 1 4 0 0 1 F s 9.649 1 -2 0 55
5432 389 1 Fe 2 4 0 0 2 F s 6.885 1 -2 0 56
5433 389 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -2 0 57
5434 389 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -2 0 58
5435 389 1 Fe 5 3 2 0 1 F dz2 6.632 1 -2 0 59
5436 389 1 Fe 6 3 2 1 1 F dxz 6.632 1 -2 0 60
5437 389 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -2 0 61
5438 389 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -2 0 62
5439 389 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -2 0 63
5440 389 1 Fe 10 3 2 0 2 F dz2 2.565 1 -2 0 64
5441 389 1 Fe 11 3 2 1 2 F dxz 2.565 1 -2 0 65
5442 389 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -2 0 66
5443 389 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -2 0 67
5444 389 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -2 0 68
5445 389 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -2 0 69
5446 390 1 Fe 1 4 0 0 1 F s 9.649 1 -2 0 70
5447 390 1 Fe 2 4 0 0 2 F s 6.885 1 -2 0 71
5448 390 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -2 0 72
5449 390 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -2 0 73
5450 390 1 Fe 5 3 2 0 1 F dz2 6.632 1 -2 0 74
5451 390 1 Fe 6 3 2 1 1 F dxz 6.632 1 -2 0 75
5452 390 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -2 0 76
5453 390 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -2 0 77
5454 390 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -2 0 78
5455 390 1 Fe 10 3 2 0 2 F dz2 2.565 1 -2 0 79
5456 390 1 Fe 11 3 2 1 2 F dxz 2.565 1 -2 0 80
5457 390 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -2 0 81
5458 390 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -2 0 82
5459 390 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -2 0 83
5460 390 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -2 0 84
5461 391 3 Te 1 5 0 0 1 F s 6.195 2 -2 0 1
5462 391 3 Te 2 5 0 0 2 F s 4.205 2 -2 0 2
5463 391 3 Te 3 5 1 -1 1 F py 8.156 2 -2 0 3
5464 391 3 Te 4 5 1 0 1 F pz 8.156 2 -2 0 4
5465 391 3 Te 5 5 1 1 1 F px 8.156 2 -2 0 5
5466 391 3 Te 6 5 1 -1 2 F py 5.009 2 -2 0 6
5467 391 3 Te 7 5 1 0 2 F pz 5.009 2 -2 0 7
5468 391 3 Te 8 5 1 1 2 F px 5.009 2 -2 0 8
5469 391 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 -2 0 9
5470 391 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 -2 0 10
5471 391 3 Te 11 5 2 0 1 T Pdz2 8.156 2 -2 0 11
5472 391 3 Te 12 5 2 1 1 T Pdxz 8.156 2 -2 0 12
5473 391 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 -2 0 13
5474 392 3 Te 1 5 0 0 1 F s 6.195 2 -2 0 14
5475 392 3 Te 2 5 0 0 2 F s 4.205 2 -2 0 15
5476 392 3 Te 3 5 1 -1 1 F py 8.156 2 -2 0 16
5477 392 3 Te 4 5 1 0 1 F pz 8.156 2 -2 0 17
5478 392 3 Te 5 5 1 1 1 F px 8.156 2 -2 0 18
5479 392 3 Te 6 5 1 -1 2 F py 5.009 2 -2 0 19
5480 392 3 Te 7 5 1 0 2 F pz 5.009 2 -2 0 20
5481 392 3 Te 8 5 1 1 2 F px 5.009 2 -2 0 21
5482 392 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 -2 0 22
5483 392 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 -2 0 23
5484 392 3 Te 11 5 2 0 1 T Pdz2 8.156 2 -2 0 24
5485 392 3 Te 12 5 2 1 1 T Pdxz 8.156 2 -2 0 25
5486 392 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 -2 0 26
5487 393 2 Ge 1 4 0 0 1 F s 6.581 2 -2 0 27
5488 393 2 Ge 2 4 0 0 2 F s 4.412 2 -2 0 28
5489 393 2 Ge 3 4 1 -1 1 F py 9.340 2 -2 0 29
5490 393 2 Ge 4 4 1 0 1 F pz 9.340 2 -2 0 30
5491 393 2 Ge 5 4 1 1 1 F px 9.340 2 -2 0 31
5492 393 2 Ge 6 4 1 -1 2 F py 5.665 2 -2 0 32
5493 393 2 Ge 7 4 1 0 2 F pz 5.665 2 -2 0 33
5494 393 2 Ge 8 4 1 1 2 F px 5.665 2 -2 0 34
5495 393 2 Ge 9 4 2 -2 1 T Pdxy 9.340 2 -2 0 35
5496 393 2 Ge 10 4 2 -1 1 T Pdyz 9.340 2 -2 0 36
5497 393 2 Ge 11 4 2 0 1 T Pdz2 9.340 2 -2 0 37
5498 393 2 Ge 12 4 2 1 1 T Pdxz 9.340 2 -2 0 38
5499 393 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 2 -2 0 39
5500 394 1 Fe 1 4 0 0 1 F s 9.649 2 -2 0 40
5501 394 1 Fe 2 4 0 0 2 F s 6.885 2 -2 0 41
5502 394 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -2 0 42
5503 394 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -2 0 43
5504 394 1 Fe 5 3 2 0 1 F dz2 6.632 2 -2 0 44
5505 394 1 Fe 6 3 2 1 1 F dxz 6.632 2 -2 0 45
5506 394 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -2 0 46
5507 394 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -2 0 47
5508 394 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -2 0 48
5509 394 1 Fe 10 3 2 0 2 F dz2 2.565 2 -2 0 49
5510 394 1 Fe 11 3 2 1 2 F dxz 2.565 2 -2 0 50
5511 394 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -2 0 51
5512 394 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -2 0 52
5513 394 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -2 0 53
5514 394 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -2 0 54
5515 395 1 Fe 1 4 0 0 1 F s 9.649 2 -2 0 55
5516 395 1 Fe 2 4 0 0 2 F s 6.885 2 -2 0 56
5517 395 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -2 0 57
5518 395 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -2 0 58
5519 395 1 Fe 5 3 2 0 1 F dz2 6.632 2 -2 0 59
5520 395 1 Fe 6 3 2 1 1 F dxz 6.632 2 -2 0 60
5521 395 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -2 0 61
5522 395 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -2 0 62
5523 395 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -2 0 63
5524 395 1 Fe 10 3 2 0 2 F dz2 2.565 2 -2 0 64
5525 395 1 Fe 11 3 2 1 2 F dxz 2.565 2 -2 0 65
5526 395 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -2 0 66
5527 395 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -2 0 67
5528 395 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -2 0 68
5529 395 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -2 0 69
5530 396 1 Fe 1 4 0 0 1 F s 9.649 2 -2 0 70
5531 396 1 Fe 2 4 0 0 2 F s 6.885 2 -2 0 71
5532 396 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -2 0 72
5533 396 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -2 0 73
5534 396 1 Fe 5 3 2 0 1 F dz2 6.632 2 -2 0 74
5535 396 1 Fe 6 3 2 1 1 F dxz 6.632 2 -2 0 75
5536 396 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -2 0 76
5537 396 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -2 0 77
5538 396 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -2 0 78
5539 396 1 Fe 10 3 2 0 2 F dz2 2.565 2 -2 0 79
5540 396 1 Fe 11 3 2 1 2 F dxz 2.565 2 -2 0 80
5541 396 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -2 0 81
5542 396 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -2 0 82
5543 396 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -2 0 83
5544 396 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -2 0 84
5545 397 3 Te 1 5 0 0 1 F s 6.195 3 -2 0 1
5546 397 3 Te 2 5 0 0 2 F s 4.205 3 -2 0 2
5547 397 3 Te 3 5 1 -1 1 F py 8.156 3 -2 0 3
5548 397 3 Te 4 5 1 0 1 F pz 8.156 3 -2 0 4
5549 397 3 Te 5 5 1 1 1 F px 8.156 3 -2 0 5
5550 397 3 Te 6 5 1 -1 2 F py 5.009 3 -2 0 6
5551 397 3 Te 7 5 1 0 2 F pz 5.009 3 -2 0 7
5552 397 3 Te 8 5 1 1 2 F px 5.009 3 -2 0 8
5553 397 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 -2 0 9
5554 397 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 -2 0 10
5555 397 3 Te 11 5 2 0 1 T Pdz2 8.156 3 -2 0 11
5556 397 3 Te 12 5 2 1 1 T Pdxz 8.156 3 -2 0 12
5557 397 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 -2 0 13
5558 398 3 Te 1 5 0 0 1 F s 6.195 3 -2 0 14
5559 398 3 Te 2 5 0 0 2 F s 4.205 3 -2 0 15
5560 398 3 Te 3 5 1 -1 1 F py 8.156 3 -2 0 16
5561 398 3 Te 4 5 1 0 1 F pz 8.156 3 -2 0 17
5562 398 3 Te 5 5 1 1 1 F px 8.156 3 -2 0 18
5563 398 3 Te 6 5 1 -1 2 F py 5.009 3 -2 0 19
5564 398 3 Te 7 5 1 0 2 F pz 5.009 3 -2 0 20
5565 398 3 Te 8 5 1 1 2 F px 5.009 3 -2 0 21
5566 398 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 -2 0 22
5567 398 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 -2 0 23
5568 398 3 Te 11 5 2 0 1 T Pdz2 8.156 3 -2 0 24
5569 398 3 Te 12 5 2 1 1 T Pdxz 8.156 3 -2 0 25
5570 398 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 -2 0 26
5571 399 2 Ge 1 4 0 0 1 F s 6.581 3 -2 0 27
5572 399 2 Ge 2 4 0 0 2 F s 4.412 3 -2 0 28
5573 399 2 Ge 3 4 1 -1 1 F py 9.340 3 -2 0 29
5574 399 2 Ge 4 4 1 0 1 F pz 9.340 3 -2 0 30
5575 399 2 Ge 5 4 1 1 1 F px 9.340 3 -2 0 31
5576 399 2 Ge 6 4 1 -1 2 F py 5.665 3 -2 0 32
5577 399 2 Ge 7 4 1 0 2 F pz 5.665 3 -2 0 33
5578 399 2 Ge 8 4 1 1 2 F px 5.665 3 -2 0 34
5579 399 2 Ge 9 4 2 -2 1 T Pdxy 9.340 3 -2 0 35
5580 399 2 Ge 10 4 2 -1 1 T Pdyz 9.340 3 -2 0 36
5581 399 2 Ge 11 4 2 0 1 T Pdz2 9.340 3 -2 0 37
5582 399 2 Ge 12 4 2 1 1 T Pdxz 9.340 3 -2 0 38
5583 399 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 3 -2 0 39
5584 400 1 Fe 1 4 0 0 1 F s 9.649 3 -2 0 40
5585 400 1 Fe 2 4 0 0 2 F s 6.885 3 -2 0 41
5586 400 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -2 0 42
5587 400 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -2 0 43
5588 400 1 Fe 5 3 2 0 1 F dz2 6.632 3 -2 0 44
5589 400 1 Fe 6 3 2 1 1 F dxz 6.632 3 -2 0 45
5590 400 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -2 0 46
5591 400 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -2 0 47
5592 400 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -2 0 48
5593 400 1 Fe 10 3 2 0 2 F dz2 2.565 3 -2 0 49
5594 400 1 Fe 11 3 2 1 2 F dxz 2.565 3 -2 0 50
5595 400 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -2 0 51
5596 400 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -2 0 52
5597 400 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -2 0 53
5598 400 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -2 0 54
5599 401 1 Fe 1 4 0 0 1 F s 9.649 3 -2 0 55
5600 401 1 Fe 2 4 0 0 2 F s 6.885 3 -2 0 56
5601 401 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -2 0 57
5602 401 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -2 0 58
5603 401 1 Fe 5 3 2 0 1 F dz2 6.632 3 -2 0 59
5604 401 1 Fe 6 3 2 1 1 F dxz 6.632 3 -2 0 60
5605 401 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -2 0 61
5606 401 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -2 0 62
5607 401 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -2 0 63
5608 401 1 Fe 10 3 2 0 2 F dz2 2.565 3 -2 0 64
5609 401 1 Fe 11 3 2 1 2 F dxz 2.565 3 -2 0 65
5610 401 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -2 0 66
5611 401 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -2 0 67
5612 401 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -2 0 68
5613 401 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -2 0 69
5614 402 1 Fe 1 4 0 0 1 F s 9.649 3 -2 0 70
5615 402 1 Fe 2 4 0 0 2 F s 6.885 3 -2 0 71
5616 402 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -2 0 72
5617 402 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -2 0 73
5618 402 1 Fe 5 3 2 0 1 F dz2 6.632 3 -2 0 74
5619 402 1 Fe 6 3 2 1 1 F dxz 6.632 3 -2 0 75
5620 402 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -2 0 76
5621 402 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -2 0 77
5622 402 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -2 0 78
5623 402 1 Fe 10 3 2 0 2 F dz2 2.565 3 -2 0 79
5624 402 1 Fe 11 3 2 1 2 F dxz 2.565 3 -2 0 80
5625 402 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -2 0 81
5626 402 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -2 0 82
5627 402 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -2 0 83
5628 402 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -2 0 84
5629 403 3 Te 1 5 0 0 1 F s 6.195 4 -2 0 1
5630 403 3 Te 2 5 0 0 2 F s 4.205 4 -2 0 2
5631 403 3 Te 3 5 1 -1 1 F py 8.156 4 -2 0 3
5632 403 3 Te 4 5 1 0 1 F pz 8.156 4 -2 0 4
5633 403 3 Te 5 5 1 1 1 F px 8.156 4 -2 0 5
5634 403 3 Te 6 5 1 -1 2 F py 5.009 4 -2 0 6
5635 403 3 Te 7 5 1 0 2 F pz 5.009 4 -2 0 7
5636 403 3 Te 8 5 1 1 2 F px 5.009 4 -2 0 8
5637 403 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 -2 0 9
5638 403 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 -2 0 10
5639 403 3 Te 11 5 2 0 1 T Pdz2 8.156 4 -2 0 11
5640 403 3 Te 12 5 2 1 1 T Pdxz 8.156 4 -2 0 12
5641 403 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 -2 0 13
5642 404 3 Te 1 5 0 0 1 F s 6.195 4 -2 0 14
5643 404 3 Te 2 5 0 0 2 F s 4.205 4 -2 0 15
5644 404 3 Te 3 5 1 -1 1 F py 8.156 4 -2 0 16
5645 404 3 Te 4 5 1 0 1 F pz 8.156 4 -2 0 17
5646 404 3 Te 5 5 1 1 1 F px 8.156 4 -2 0 18
5647 404 3 Te 6 5 1 -1 2 F py 5.009 4 -2 0 19
5648 404 3 Te 7 5 1 0 2 F pz 5.009 4 -2 0 20
5649 404 3 Te 8 5 1 1 2 F px 5.009 4 -2 0 21
5650 404 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 -2 0 22
5651 404 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 -2 0 23
5652 404 3 Te 11 5 2 0 1 T Pdz2 8.156 4 -2 0 24
5653 404 3 Te 12 5 2 1 1 T Pdxz 8.156 4 -2 0 25
5654 404 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 -2 0 26
5655 405 2 Ge 1 4 0 0 1 F s 6.581 4 -2 0 27
5656 405 2 Ge 2 4 0 0 2 F s 4.412 4 -2 0 28
5657 405 2 Ge 3 4 1 -1 1 F py 9.340 4 -2 0 29
5658 405 2 Ge 4 4 1 0 1 F pz 9.340 4 -2 0 30
5659 405 2 Ge 5 4 1 1 1 F px 9.340 4 -2 0 31
5660 405 2 Ge 6 4 1 -1 2 F py 5.665 4 -2 0 32
5661 405 2 Ge 7 4 1 0 2 F pz 5.665 4 -2 0 33
5662 405 2 Ge 8 4 1 1 2 F px 5.665 4 -2 0 34
5663 405 2 Ge 9 4 2 -2 1 T Pdxy 9.340 4 -2 0 35
5664 405 2 Ge 10 4 2 -1 1 T Pdyz 9.340 4 -2 0 36
5665 405 2 Ge 11 4 2 0 1 T Pdz2 9.340 4 -2 0 37
5666 405 2 Ge 12 4 2 1 1 T Pdxz 9.340 4 -2 0 38
5667 405 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 4 -2 0 39
5668 406 1 Fe 1 4 0 0 1 F s 9.649 4 -2 0 40
5669 406 1 Fe 2 4 0 0 2 F s 6.885 4 -2 0 41
5670 406 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -2 0 42
5671 406 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -2 0 43
5672 406 1 Fe 5 3 2 0 1 F dz2 6.632 4 -2 0 44
5673 406 1 Fe 6 3 2 1 1 F dxz 6.632 4 -2 0 45
5674 406 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -2 0 46
5675 406 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -2 0 47
5676 406 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -2 0 48
5677 406 1 Fe 10 3 2 0 2 F dz2 2.565 4 -2 0 49
5678 406 1 Fe 11 3 2 1 2 F dxz 2.565 4 -2 0 50
5679 406 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -2 0 51
5680 406 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -2 0 52
5681 406 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -2 0 53
5682 406 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -2 0 54
5683 407 1 Fe 1 4 0 0 1 F s 9.649 4 -2 0 55
5684 407 1 Fe 2 4 0 0 2 F s 6.885 4 -2 0 56
5685 407 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -2 0 57
5686 407 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -2 0 58
5687 407 1 Fe 5 3 2 0 1 F dz2 6.632 4 -2 0 59
5688 407 1 Fe 6 3 2 1 1 F dxz 6.632 4 -2 0 60
5689 407 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -2 0 61
5690 407 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -2 0 62
5691 407 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -2 0 63
5692 407 1 Fe 10 3 2 0 2 F dz2 2.565 4 -2 0 64
5693 407 1 Fe 11 3 2 1 2 F dxz 2.565 4 -2 0 65
5694 407 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -2 0 66
5695 407 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -2 0 67
5696 407 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -2 0 68
5697 407 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -2 0 69
5698 408 1 Fe 1 4 0 0 1 F s 9.649 4 -2 0 70
5699 408 1 Fe 2 4 0 0 2 F s 6.885 4 -2 0 71
5700 408 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -2 0 72
5701 408 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -2 0 73
5702 408 1 Fe 5 3 2 0 1 F dz2 6.632 4 -2 0 74
5703 408 1 Fe 6 3 2 1 1 F dxz 6.632 4 -2 0 75
5704 408 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -2 0 76
5705 408 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -2 0 77
5706 408 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -2 0 78
5707 408 1 Fe 10 3 2 0 2 F dz2 2.565 4 -2 0 79
5708 408 1 Fe 11 3 2 1 2 F dxz 2.565 4 -2 0 80
5709 408 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -2 0 81
5710 408 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -2 0 82
5711 408 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -2 0 83
5712 408 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -2 0 84
5713 409 3 Te 1 5 0 0 1 F s 6.195 -4 -2 0 1
5714 409 3 Te 2 5 0 0 2 F s 4.205 -4 -2 0 2
5715 409 3 Te 3 5 1 -1 1 F py 8.156 -4 -2 0 3
5716 409 3 Te 4 5 1 0 1 F pz 8.156 -4 -2 0 4
5717 409 3 Te 5 5 1 1 1 F px 8.156 -4 -2 0 5
5718 409 3 Te 6 5 1 -1 2 F py 5.009 -4 -2 0 6
5719 409 3 Te 7 5 1 0 2 F pz 5.009 -4 -2 0 7
5720 409 3 Te 8 5 1 1 2 F px 5.009 -4 -2 0 8
5721 409 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 -2 0 9
5722 409 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 -2 0 10
5723 409 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 -2 0 11
5724 409 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 -2 0 12
5725 409 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 -2 0 13
5726 410 3 Te 1 5 0 0 1 F s 6.195 -4 -2 0 14
5727 410 3 Te 2 5 0 0 2 F s 4.205 -4 -2 0 15
5728 410 3 Te 3 5 1 -1 1 F py 8.156 -4 -2 0 16
5729 410 3 Te 4 5 1 0 1 F pz 8.156 -4 -2 0 17
5730 410 3 Te 5 5 1 1 1 F px 8.156 -4 -2 0 18
5731 410 3 Te 6 5 1 -1 2 F py 5.009 -4 -2 0 19
5732 410 3 Te 7 5 1 0 2 F pz 5.009 -4 -2 0 20
5733 410 3 Te 8 5 1 1 2 F px 5.009 -4 -2 0 21
5734 410 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 -2 0 22
5735 410 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 -2 0 23
5736 410 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 -2 0 24
5737 410 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 -2 0 25
5738 410 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 -2 0 26
5739 411 2 Ge 1 4 0 0 1 F s 6.581 -4 -2 0 27
5740 411 2 Ge 2 4 0 0 2 F s 4.412 -4 -2 0 28
5741 411 2 Ge 3 4 1 -1 1 F py 9.340 -4 -2 0 29
5742 411 2 Ge 4 4 1 0 1 F pz 9.340 -4 -2 0 30
5743 411 2 Ge 5 4 1 1 1 F px 9.340 -4 -2 0 31
5744 411 2 Ge 6 4 1 -1 2 F py 5.665 -4 -2 0 32
5745 411 2 Ge 7 4 1 0 2 F pz 5.665 -4 -2 0 33
5746 411 2 Ge 8 4 1 1 2 F px 5.665 -4 -2 0 34
5747 411 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -4 -2 0 35
5748 411 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -4 -2 0 36
5749 411 2 Ge 11 4 2 0 1 T Pdz2 9.340 -4 -2 0 37
5750 411 2 Ge 12 4 2 1 1 T Pdxz 9.340 -4 -2 0 38
5751 411 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -4 -2 0 39
5752 412 1 Fe 1 4 0 0 1 F s 9.649 -4 -2 0 40
5753 412 1 Fe 2 4 0 0 2 F s 6.885 -4 -2 0 41
5754 412 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -2 0 42
5755 412 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -2 0 43
5756 412 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -2 0 44
5757 412 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -2 0 45
5758 412 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -2 0 46
5759 412 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -2 0 47
5760 412 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -2 0 48
5761 412 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -2 0 49
5762 412 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -2 0 50
5763 412 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -2 0 51
5764 412 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -2 0 52
5765 412 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -2 0 53
5766 412 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -2 0 54
5767 413 1 Fe 1 4 0 0 1 F s 9.649 -4 -2 0 55
5768 413 1 Fe 2 4 0 0 2 F s 6.885 -4 -2 0 56
5769 413 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -2 0 57
5770 413 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -2 0 58
5771 413 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -2 0 59
5772 413 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -2 0 60
5773 413 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -2 0 61
5774 413 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -2 0 62
5775 413 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -2 0 63
5776 413 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -2 0 64
5777 413 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -2 0 65
5778 413 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -2 0 66
5779 413 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -2 0 67
5780 413 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -2 0 68
5781 413 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -2 0 69
5782 414 1 Fe 1 4 0 0 1 F s 9.649 -4 -2 0 70
5783 414 1 Fe 2 4 0 0 2 F s 6.885 -4 -2 0 71
5784 414 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -2 0 72
5785 414 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -2 0 73
5786 414 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -2 0 74
5787 414 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -2 0 75
5788 414 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -2 0 76
5789 414 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -2 0 77
5790 414 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -2 0 78
5791 414 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -2 0 79
5792 414 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -2 0 80
5793 414 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -2 0 81
5794 414 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -2 0 82
5795 414 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -2 0 83
5796 414 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -2 0 84
5797 415 3 Te 1 5 0 0 1 F s 6.195 -3 -2 0 1
5798 415 3 Te 2 5 0 0 2 F s 4.205 -3 -2 0 2
5799 415 3 Te 3 5 1 -1 1 F py 8.156 -3 -2 0 3
5800 415 3 Te 4 5 1 0 1 F pz 8.156 -3 -2 0 4
5801 415 3 Te 5 5 1 1 1 F px 8.156 -3 -2 0 5
5802 415 3 Te 6 5 1 -1 2 F py 5.009 -3 -2 0 6
5803 415 3 Te 7 5 1 0 2 F pz 5.009 -3 -2 0 7
5804 415 3 Te 8 5 1 1 2 F px 5.009 -3 -2 0 8
5805 415 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 -2 0 9
5806 415 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 -2 0 10
5807 415 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 -2 0 11
5808 415 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 -2 0 12
5809 415 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 -2 0 13
5810 416 3 Te 1 5 0 0 1 F s 6.195 -3 -2 0 14
5811 416 3 Te 2 5 0 0 2 F s 4.205 -3 -2 0 15
5812 416 3 Te 3 5 1 -1 1 F py 8.156 -3 -2 0 16
5813 416 3 Te 4 5 1 0 1 F pz 8.156 -3 -2 0 17
5814 416 3 Te 5 5 1 1 1 F px 8.156 -3 -2 0 18
5815 416 3 Te 6 5 1 -1 2 F py 5.009 -3 -2 0 19
5816 416 3 Te 7 5 1 0 2 F pz 5.009 -3 -2 0 20
5817 416 3 Te 8 5 1 1 2 F px 5.009 -3 -2 0 21
5818 416 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 -2 0 22
5819 416 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 -2 0 23
5820 416 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 -2 0 24
5821 416 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 -2 0 25
5822 416 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 -2 0 26
5823 417 2 Ge 1 4 0 0 1 F s 6.581 -3 -2 0 27
5824 417 2 Ge 2 4 0 0 2 F s 4.412 -3 -2 0 28
5825 417 2 Ge 3 4 1 -1 1 F py 9.340 -3 -2 0 29
5826 417 2 Ge 4 4 1 0 1 F pz 9.340 -3 -2 0 30
5827 417 2 Ge 5 4 1 1 1 F px 9.340 -3 -2 0 31
5828 417 2 Ge 6 4 1 -1 2 F py 5.665 -3 -2 0 32
5829 417 2 Ge 7 4 1 0 2 F pz 5.665 -3 -2 0 33
5830 417 2 Ge 8 4 1 1 2 F px 5.665 -3 -2 0 34
5831 417 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -3 -2 0 35
5832 417 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -3 -2 0 36
5833 417 2 Ge 11 4 2 0 1 T Pdz2 9.340 -3 -2 0 37
5834 417 2 Ge 12 4 2 1 1 T Pdxz 9.340 -3 -2 0 38
5835 417 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -3 -2 0 39
5836 418 1 Fe 1 4 0 0 1 F s 9.649 -3 -2 0 40
5837 418 1 Fe 2 4 0 0 2 F s 6.885 -3 -2 0 41
5838 418 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -2 0 42
5839 418 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -2 0 43
5840 418 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -2 0 44
5841 418 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -2 0 45
5842 418 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -2 0 46
5843 418 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -2 0 47
5844 418 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -2 0 48
5845 418 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -2 0 49
5846 418 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -2 0 50
5847 418 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -2 0 51
5848 418 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -2 0 52
5849 418 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -2 0 53
5850 418 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -2 0 54
5851 419 1 Fe 1 4 0 0 1 F s 9.649 -3 -2 0 55
5852 419 1 Fe 2 4 0 0 2 F s 6.885 -3 -2 0 56
5853 419 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -2 0 57
5854 419 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -2 0 58
5855 419 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -2 0 59
5856 419 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -2 0 60
5857 419 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -2 0 61
5858 419 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -2 0 62
5859 419 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -2 0 63
5860 419 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -2 0 64
5861 419 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -2 0 65
5862 419 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -2 0 66
5863 419 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -2 0 67
5864 419 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -2 0 68
5865 419 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -2 0 69
5866 420 1 Fe 1 4 0 0 1 F s 9.649 -3 -2 0 70
5867 420 1 Fe 2 4 0 0 2 F s 6.885 -3 -2 0 71
5868 420 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -2 0 72
5869 420 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -2 0 73
5870 420 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -2 0 74
5871 420 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -2 0 75
5872 420 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -2 0 76
5873 420 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -2 0 77
5874 420 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -2 0 78
5875 420 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -2 0 79
5876 420 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -2 0 80
5877 420 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -2 0 81
5878 420 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -2 0 82
5879 420 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -2 0 83
5880 420 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -2 0 84
5881 421 3 Te 1 5 0 0 1 F s 6.195 -2 -2 0 1
5882 421 3 Te 2 5 0 0 2 F s 4.205 -2 -2 0 2
5883 421 3 Te 3 5 1 -1 1 F py 8.156 -2 -2 0 3
5884 421 3 Te 4 5 1 0 1 F pz 8.156 -2 -2 0 4
5885 421 3 Te 5 5 1 1 1 F px 8.156 -2 -2 0 5
5886 421 3 Te 6 5 1 -1 2 F py 5.009 -2 -2 0 6
5887 421 3 Te 7 5 1 0 2 F pz 5.009 -2 -2 0 7
5888 421 3 Te 8 5 1 1 2 F px 5.009 -2 -2 0 8
5889 421 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 -2 0 9
5890 421 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 -2 0 10
5891 421 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 -2 0 11
5892 421 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 -2 0 12
5893 421 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 -2 0 13
5894 422 3 Te 1 5 0 0 1 F s 6.195 -2 -2 0 14
5895 422 3 Te 2 5 0 0 2 F s 4.205 -2 -2 0 15
5896 422 3 Te 3 5 1 -1 1 F py 8.156 -2 -2 0 16
5897 422 3 Te 4 5 1 0 1 F pz 8.156 -2 -2 0 17
5898 422 3 Te 5 5 1 1 1 F px 8.156 -2 -2 0 18
5899 422 3 Te 6 5 1 -1 2 F py 5.009 -2 -2 0 19
5900 422 3 Te 7 5 1 0 2 F pz 5.009 -2 -2 0 20
5901 422 3 Te 8 5 1 1 2 F px 5.009 -2 -2 0 21
5902 422 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 -2 0 22
5903 422 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 -2 0 23
5904 422 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 -2 0 24
5905 422 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 -2 0 25
5906 422 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 -2 0 26
5907 423 2 Ge 1 4 0 0 1 F s 6.581 -2 -2 0 27
5908 423 2 Ge 2 4 0 0 2 F s 4.412 -2 -2 0 28
5909 423 2 Ge 3 4 1 -1 1 F py 9.340 -2 -2 0 29
5910 423 2 Ge 4 4 1 0 1 F pz 9.340 -2 -2 0 30
5911 423 2 Ge 5 4 1 1 1 F px 9.340 -2 -2 0 31
5912 423 2 Ge 6 4 1 -1 2 F py 5.665 -2 -2 0 32
5913 423 2 Ge 7 4 1 0 2 F pz 5.665 -2 -2 0 33
5914 423 2 Ge 8 4 1 1 2 F px 5.665 -2 -2 0 34
5915 423 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -2 -2 0 35
5916 423 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -2 -2 0 36
5917 423 2 Ge 11 4 2 0 1 T Pdz2 9.340 -2 -2 0 37
5918 423 2 Ge 12 4 2 1 1 T Pdxz 9.340 -2 -2 0 38
5919 423 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -2 -2 0 39
5920 424 1 Fe 1 4 0 0 1 F s 9.649 -2 -2 0 40
5921 424 1 Fe 2 4 0 0 2 F s 6.885 -2 -2 0 41
5922 424 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -2 0 42
5923 424 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -2 0 43
5924 424 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -2 0 44
5925 424 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -2 0 45
5926 424 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -2 0 46
5927 424 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -2 0 47
5928 424 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -2 0 48
5929 424 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -2 0 49
5930 424 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -2 0 50
5931 424 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -2 0 51
5932 424 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -2 0 52
5933 424 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -2 0 53
5934 424 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -2 0 54
5935 425 1 Fe 1 4 0 0 1 F s 9.649 -2 -2 0 55
5936 425 1 Fe 2 4 0 0 2 F s 6.885 -2 -2 0 56
5937 425 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -2 0 57
5938 425 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -2 0 58
5939 425 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -2 0 59
5940 425 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -2 0 60
5941 425 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -2 0 61
5942 425 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -2 0 62
5943 425 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -2 0 63
5944 425 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -2 0 64
5945 425 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -2 0 65
5946 425 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -2 0 66
5947 425 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -2 0 67
5948 425 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -2 0 68
5949 425 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -2 0 69
5950 426 1 Fe 1 4 0 0 1 F s 9.649 -2 -2 0 70
5951 426 1 Fe 2 4 0 0 2 F s 6.885 -2 -2 0 71
5952 426 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -2 0 72
5953 426 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -2 0 73
5954 426 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -2 0 74
5955 426 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -2 0 75
5956 426 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -2 0 76
5957 426 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -2 0 77
5958 426 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -2 0 78
5959 426 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -2 0 79
5960 426 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -2 0 80
5961 426 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -2 0 81
5962 426 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -2 0 82
5963 426 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -2 0 83
5964 426 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -2 0 84
5965 427 3 Te 1 5 0 0 1 F s 6.195 -1 -2 0 1
5966 427 3 Te 2 5 0 0 2 F s 4.205 -1 -2 0 2
5967 427 3 Te 3 5 1 -1 1 F py 8.156 -1 -2 0 3
5968 427 3 Te 4 5 1 0 1 F pz 8.156 -1 -2 0 4
5969 427 3 Te 5 5 1 1 1 F px 8.156 -1 -2 0 5
5970 427 3 Te 6 5 1 -1 2 F py 5.009 -1 -2 0 6
5971 427 3 Te 7 5 1 0 2 F pz 5.009 -1 -2 0 7
5972 427 3 Te 8 5 1 1 2 F px 5.009 -1 -2 0 8
5973 427 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 -2 0 9
5974 427 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 -2 0 10
5975 427 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 -2 0 11
5976 427 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 -2 0 12
5977 427 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 -2 0 13
5978 428 3 Te 1 5 0 0 1 F s 6.195 -1 -2 0 14
5979 428 3 Te 2 5 0 0 2 F s 4.205 -1 -2 0 15
5980 428 3 Te 3 5 1 -1 1 F py 8.156 -1 -2 0 16
5981 428 3 Te 4 5 1 0 1 F pz 8.156 -1 -2 0 17
5982 428 3 Te 5 5 1 1 1 F px 8.156 -1 -2 0 18
5983 428 3 Te 6 5 1 -1 2 F py 5.009 -1 -2 0 19
5984 428 3 Te 7 5 1 0 2 F pz 5.009 -1 -2 0 20
5985 428 3 Te 8 5 1 1 2 F px 5.009 -1 -2 0 21
5986 428 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 -2 0 22
5987 428 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 -2 0 23
5988 428 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 -2 0 24
5989 428 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 -2 0 25
5990 428 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 -2 0 26
5991 429 2 Ge 1 4 0 0 1 F s 6.581 -1 -2 0 27
5992 429 2 Ge 2 4 0 0 2 F s 4.412 -1 -2 0 28
5993 429 2 Ge 3 4 1 -1 1 F py 9.340 -1 -2 0 29
5994 429 2 Ge 4 4 1 0 1 F pz 9.340 -1 -2 0 30
5995 429 2 Ge 5 4 1 1 1 F px 9.340 -1 -2 0 31
5996 429 2 Ge 6 4 1 -1 2 F py 5.665 -1 -2 0 32
5997 429 2 Ge 7 4 1 0 2 F pz 5.665 -1 -2 0 33
5998 429 2 Ge 8 4 1 1 2 F px 5.665 -1 -2 0 34
5999 429 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -1 -2 0 35
6000 429 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -1 -2 0 36
6001 429 2 Ge 11 4 2 0 1 T Pdz2 9.340 -1 -2 0 37
6002 429 2 Ge 12 4 2 1 1 T Pdxz 9.340 -1 -2 0 38
6003 429 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -1 -2 0 39
6004 430 1 Fe 1 4 0 0 1 F s 9.649 -1 -2 0 40
6005 430 1 Fe 2 4 0 0 2 F s 6.885 -1 -2 0 41
6006 430 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -2 0 42
6007 430 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -2 0 43
6008 430 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -2 0 44
6009 430 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -2 0 45
6010 430 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -2 0 46
6011 430 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -2 0 47
6012 430 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -2 0 48
6013 430 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -2 0 49
6014 430 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -2 0 50
6015 430 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -2 0 51
6016 430 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -2 0 52
6017 430 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -2 0 53
6018 430 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -2 0 54
6019 431 1 Fe 1 4 0 0 1 F s 9.649 -1 -2 0 55
6020 431 1 Fe 2 4 0 0 2 F s 6.885 -1 -2 0 56
6021 431 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -2 0 57
6022 431 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -2 0 58
6023 431 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -2 0 59
6024 431 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -2 0 60
6025 431 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -2 0 61
6026 431 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -2 0 62
6027 431 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -2 0 63
6028 431 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -2 0 64
6029 431 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -2 0 65
6030 431 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -2 0 66
6031 431 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -2 0 67
6032 431 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -2 0 68
6033 431 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -2 0 69
6034 432 1 Fe 1 4 0 0 1 F s 9.649 -1 -2 0 70
6035 432 1 Fe 2 4 0 0 2 F s 6.885 -1 -2 0 71
6036 432 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -2 0 72
6037 432 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -2 0 73
6038 432 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -2 0 74
6039 432 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -2 0 75
6040 432 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -2 0 76
6041 432 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -2 0 77
6042 432 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -2 0 78
6043 432 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -2 0 79
6044 432 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -2 0 80
6045 432 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -2 0 81
6046 432 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -2 0 82
6047 432 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -2 0 83
6048 432 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -2 0 84
6049 433 3 Te 1 5 0 0 1 F s 6.195 0 -1 0 1
6050 433 3 Te 2 5 0 0 2 F s 4.205 0 -1 0 2
6051 433 3 Te 3 5 1 -1 1 F py 8.156 0 -1 0 3
6052 433 3 Te 4 5 1 0 1 F pz 8.156 0 -1 0 4
6053 433 3 Te 5 5 1 1 1 F px 8.156 0 -1 0 5
6054 433 3 Te 6 5 1 -1 2 F py 5.009 0 -1 0 6
6055 433 3 Te 7 5 1 0 2 F pz 5.009 0 -1 0 7
6056 433 3 Te 8 5 1 1 2 F px 5.009 0 -1 0 8
6057 433 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 -1 0 9
6058 433 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 -1 0 10
6059 433 3 Te 11 5 2 0 1 T Pdz2 8.156 0 -1 0 11
6060 433 3 Te 12 5 2 1 1 T Pdxz 8.156 0 -1 0 12
6061 433 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 -1 0 13
6062 434 3 Te 1 5 0 0 1 F s 6.195 0 -1 0 14
6063 434 3 Te 2 5 0 0 2 F s 4.205 0 -1 0 15
6064 434 3 Te 3 5 1 -1 1 F py 8.156 0 -1 0 16
6065 434 3 Te 4 5 1 0 1 F pz 8.156 0 -1 0 17
6066 434 3 Te 5 5 1 1 1 F px 8.156 0 -1 0 18
6067 434 3 Te 6 5 1 -1 2 F py 5.009 0 -1 0 19
6068 434 3 Te 7 5 1 0 2 F pz 5.009 0 -1 0 20
6069 434 3 Te 8 5 1 1 2 F px 5.009 0 -1 0 21
6070 434 3 Te 9 5 2 -2 1 T Pdxy 8.156 0 -1 0 22
6071 434 3 Te 10 5 2 -1 1 T Pdyz 8.156 0 -1 0 23
6072 434 3 Te 11 5 2 0 1 T Pdz2 8.156 0 -1 0 24
6073 434 3 Te 12 5 2 1 1 T Pdxz 8.156 0 -1 0 25
6074 434 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 0 -1 0 26
6075 435 2 Ge 1 4 0 0 1 F s 6.581 0 -1 0 27
6076 435 2 Ge 2 4 0 0 2 F s 4.412 0 -1 0 28
6077 435 2 Ge 3 4 1 -1 1 F py 9.340 0 -1 0 29
6078 435 2 Ge 4 4 1 0 1 F pz 9.340 0 -1 0 30
6079 435 2 Ge 5 4 1 1 1 F px 9.340 0 -1 0 31
6080 435 2 Ge 6 4 1 -1 2 F py 5.665 0 -1 0 32
6081 435 2 Ge 7 4 1 0 2 F pz 5.665 0 -1 0 33
6082 435 2 Ge 8 4 1 1 2 F px 5.665 0 -1 0 34
6083 435 2 Ge 9 4 2 -2 1 T Pdxy 9.340 0 -1 0 35
6084 435 2 Ge 10 4 2 -1 1 T Pdyz 9.340 0 -1 0 36
6085 435 2 Ge 11 4 2 0 1 T Pdz2 9.340 0 -1 0 37
6086 435 2 Ge 12 4 2 1 1 T Pdxz 9.340 0 -1 0 38
6087 435 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 0 -1 0 39
6088 436 1 Fe 1 4 0 0 1 F s 9.649 0 -1 0 40
6089 436 1 Fe 2 4 0 0 2 F s 6.885 0 -1 0 41
6090 436 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -1 0 42
6091 436 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -1 0 43
6092 436 1 Fe 5 3 2 0 1 F dz2 6.632 0 -1 0 44
6093 436 1 Fe 6 3 2 1 1 F dxz 6.632 0 -1 0 45
6094 436 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -1 0 46
6095 436 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -1 0 47
6096 436 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -1 0 48
6097 436 1 Fe 10 3 2 0 2 F dz2 2.565 0 -1 0 49
6098 436 1 Fe 11 3 2 1 2 F dxz 2.565 0 -1 0 50
6099 436 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -1 0 51
6100 436 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -1 0 52
6101 436 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -1 0 53
6102 436 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -1 0 54
6103 437 1 Fe 1 4 0 0 1 F s 9.649 0 -1 0 55
6104 437 1 Fe 2 4 0 0 2 F s 6.885 0 -1 0 56
6105 437 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -1 0 57
6106 437 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -1 0 58
6107 437 1 Fe 5 3 2 0 1 F dz2 6.632 0 -1 0 59
6108 437 1 Fe 6 3 2 1 1 F dxz 6.632 0 -1 0 60
6109 437 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -1 0 61
6110 437 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -1 0 62
6111 437 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -1 0 63
6112 437 1 Fe 10 3 2 0 2 F dz2 2.565 0 -1 0 64
6113 437 1 Fe 11 3 2 1 2 F dxz 2.565 0 -1 0 65
6114 437 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -1 0 66
6115 437 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -1 0 67
6116 437 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -1 0 68
6117 437 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -1 0 69
6118 438 1 Fe 1 4 0 0 1 F s 9.649 0 -1 0 70
6119 438 1 Fe 2 4 0 0 2 F s 6.885 0 -1 0 71
6120 438 1 Fe 3 3 2 -2 1 F dxy 6.632 0 -1 0 72
6121 438 1 Fe 4 3 2 -1 1 F dyz 6.632 0 -1 0 73
6122 438 1 Fe 5 3 2 0 1 F dz2 6.632 0 -1 0 74
6123 438 1 Fe 6 3 2 1 1 F dxz 6.632 0 -1 0 75
6124 438 1 Fe 7 3 2 2 1 F dx2-y2 6.632 0 -1 0 76
6125 438 1 Fe 8 3 2 -2 2 F dxy 2.565 0 -1 0 77
6126 438 1 Fe 9 3 2 -1 2 F dyz 2.565 0 -1 0 78
6127 438 1 Fe 10 3 2 0 2 F dz2 2.565 0 -1 0 79
6128 438 1 Fe 11 3 2 1 2 F dxz 2.565 0 -1 0 80
6129 438 1 Fe 12 3 2 2 2 F dx2-y2 2.565 0 -1 0 81
6130 438 1 Fe 13 4 1 -1 1 T Ppy 9.649 0 -1 0 82
6131 438 1 Fe 14 4 1 0 1 T Ppz 9.649 0 -1 0 83
6132 438 1 Fe 15 4 1 1 1 T Ppx 9.649 0 -1 0 84
6133 439 3 Te 1 5 0 0 1 F s 6.195 1 -1 0 1
6134 439 3 Te 2 5 0 0 2 F s 4.205 1 -1 0 2
6135 439 3 Te 3 5 1 -1 1 F py 8.156 1 -1 0 3
6136 439 3 Te 4 5 1 0 1 F pz 8.156 1 -1 0 4
6137 439 3 Te 5 5 1 1 1 F px 8.156 1 -1 0 5
6138 439 3 Te 6 5 1 -1 2 F py 5.009 1 -1 0 6
6139 439 3 Te 7 5 1 0 2 F pz 5.009 1 -1 0 7
6140 439 3 Te 8 5 1 1 2 F px 5.009 1 -1 0 8
6141 439 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 -1 0 9
6142 439 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 -1 0 10
6143 439 3 Te 11 5 2 0 1 T Pdz2 8.156 1 -1 0 11
6144 439 3 Te 12 5 2 1 1 T Pdxz 8.156 1 -1 0 12
6145 439 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 -1 0 13
6146 440 3 Te 1 5 0 0 1 F s 6.195 1 -1 0 14
6147 440 3 Te 2 5 0 0 2 F s 4.205 1 -1 0 15
6148 440 3 Te 3 5 1 -1 1 F py 8.156 1 -1 0 16
6149 440 3 Te 4 5 1 0 1 F pz 8.156 1 -1 0 17
6150 440 3 Te 5 5 1 1 1 F px 8.156 1 -1 0 18
6151 440 3 Te 6 5 1 -1 2 F py 5.009 1 -1 0 19
6152 440 3 Te 7 5 1 0 2 F pz 5.009 1 -1 0 20
6153 440 3 Te 8 5 1 1 2 F px 5.009 1 -1 0 21
6154 440 3 Te 9 5 2 -2 1 T Pdxy 8.156 1 -1 0 22
6155 440 3 Te 10 5 2 -1 1 T Pdyz 8.156 1 -1 0 23
6156 440 3 Te 11 5 2 0 1 T Pdz2 8.156 1 -1 0 24
6157 440 3 Te 12 5 2 1 1 T Pdxz 8.156 1 -1 0 25
6158 440 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 1 -1 0 26
6159 441 2 Ge 1 4 0 0 1 F s 6.581 1 -1 0 27
6160 441 2 Ge 2 4 0 0 2 F s 4.412 1 -1 0 28
6161 441 2 Ge 3 4 1 -1 1 F py 9.340 1 -1 0 29
6162 441 2 Ge 4 4 1 0 1 F pz 9.340 1 -1 0 30
6163 441 2 Ge 5 4 1 1 1 F px 9.340 1 -1 0 31
6164 441 2 Ge 6 4 1 -1 2 F py 5.665 1 -1 0 32
6165 441 2 Ge 7 4 1 0 2 F pz 5.665 1 -1 0 33
6166 441 2 Ge 8 4 1 1 2 F px 5.665 1 -1 0 34
6167 441 2 Ge 9 4 2 -2 1 T Pdxy 9.340 1 -1 0 35
6168 441 2 Ge 10 4 2 -1 1 T Pdyz 9.340 1 -1 0 36
6169 441 2 Ge 11 4 2 0 1 T Pdz2 9.340 1 -1 0 37
6170 441 2 Ge 12 4 2 1 1 T Pdxz 9.340 1 -1 0 38
6171 441 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 1 -1 0 39
6172 442 1 Fe 1 4 0 0 1 F s 9.649 1 -1 0 40
6173 442 1 Fe 2 4 0 0 2 F s 6.885 1 -1 0 41
6174 442 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -1 0 42
6175 442 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -1 0 43
6176 442 1 Fe 5 3 2 0 1 F dz2 6.632 1 -1 0 44
6177 442 1 Fe 6 3 2 1 1 F dxz 6.632 1 -1 0 45
6178 442 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -1 0 46
6179 442 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -1 0 47
6180 442 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -1 0 48
6181 442 1 Fe 10 3 2 0 2 F dz2 2.565 1 -1 0 49
6182 442 1 Fe 11 3 2 1 2 F dxz 2.565 1 -1 0 50
6183 442 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -1 0 51
6184 442 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -1 0 52
6185 442 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -1 0 53
6186 442 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -1 0 54
6187 443 1 Fe 1 4 0 0 1 F s 9.649 1 -1 0 55
6188 443 1 Fe 2 4 0 0 2 F s 6.885 1 -1 0 56
6189 443 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -1 0 57
6190 443 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -1 0 58
6191 443 1 Fe 5 3 2 0 1 F dz2 6.632 1 -1 0 59
6192 443 1 Fe 6 3 2 1 1 F dxz 6.632 1 -1 0 60
6193 443 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -1 0 61
6194 443 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -1 0 62
6195 443 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -1 0 63
6196 443 1 Fe 10 3 2 0 2 F dz2 2.565 1 -1 0 64
6197 443 1 Fe 11 3 2 1 2 F dxz 2.565 1 -1 0 65
6198 443 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -1 0 66
6199 443 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -1 0 67
6200 443 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -1 0 68
6201 443 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -1 0 69
6202 444 1 Fe 1 4 0 0 1 F s 9.649 1 -1 0 70
6203 444 1 Fe 2 4 0 0 2 F s 6.885 1 -1 0 71
6204 444 1 Fe 3 3 2 -2 1 F dxy 6.632 1 -1 0 72
6205 444 1 Fe 4 3 2 -1 1 F dyz 6.632 1 -1 0 73
6206 444 1 Fe 5 3 2 0 1 F dz2 6.632 1 -1 0 74
6207 444 1 Fe 6 3 2 1 1 F dxz 6.632 1 -1 0 75
6208 444 1 Fe 7 3 2 2 1 F dx2-y2 6.632 1 -1 0 76
6209 444 1 Fe 8 3 2 -2 2 F dxy 2.565 1 -1 0 77
6210 444 1 Fe 9 3 2 -1 2 F dyz 2.565 1 -1 0 78
6211 444 1 Fe 10 3 2 0 2 F dz2 2.565 1 -1 0 79
6212 444 1 Fe 11 3 2 1 2 F dxz 2.565 1 -1 0 80
6213 444 1 Fe 12 3 2 2 2 F dx2-y2 2.565 1 -1 0 81
6214 444 1 Fe 13 4 1 -1 1 T Ppy 9.649 1 -1 0 82
6215 444 1 Fe 14 4 1 0 1 T Ppz 9.649 1 -1 0 83
6216 444 1 Fe 15 4 1 1 1 T Ppx 9.649 1 -1 0 84
6217 445 3 Te 1 5 0 0 1 F s 6.195 2 -1 0 1
6218 445 3 Te 2 5 0 0 2 F s 4.205 2 -1 0 2
6219 445 3 Te 3 5 1 -1 1 F py 8.156 2 -1 0 3
6220 445 3 Te 4 5 1 0 1 F pz 8.156 2 -1 0 4
6221 445 3 Te 5 5 1 1 1 F px 8.156 2 -1 0 5
6222 445 3 Te 6 5 1 -1 2 F py 5.009 2 -1 0 6
6223 445 3 Te 7 5 1 0 2 F pz 5.009 2 -1 0 7
6224 445 3 Te 8 5 1 1 2 F px 5.009 2 -1 0 8
6225 445 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 -1 0 9
6226 445 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 -1 0 10
6227 445 3 Te 11 5 2 0 1 T Pdz2 8.156 2 -1 0 11
6228 445 3 Te 12 5 2 1 1 T Pdxz 8.156 2 -1 0 12
6229 445 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 -1 0 13
6230 446 3 Te 1 5 0 0 1 F s 6.195 2 -1 0 14
6231 446 3 Te 2 5 0 0 2 F s 4.205 2 -1 0 15
6232 446 3 Te 3 5 1 -1 1 F py 8.156 2 -1 0 16
6233 446 3 Te 4 5 1 0 1 F pz 8.156 2 -1 0 17
6234 446 3 Te 5 5 1 1 1 F px 8.156 2 -1 0 18
6235 446 3 Te 6 5 1 -1 2 F py 5.009 2 -1 0 19
6236 446 3 Te 7 5 1 0 2 F pz 5.009 2 -1 0 20
6237 446 3 Te 8 5 1 1 2 F px 5.009 2 -1 0 21
6238 446 3 Te 9 5 2 -2 1 T Pdxy 8.156 2 -1 0 22
6239 446 3 Te 10 5 2 -1 1 T Pdyz 8.156 2 -1 0 23
6240 446 3 Te 11 5 2 0 1 T Pdz2 8.156 2 -1 0 24
6241 446 3 Te 12 5 2 1 1 T Pdxz 8.156 2 -1 0 25
6242 446 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 2 -1 0 26
6243 447 2 Ge 1 4 0 0 1 F s 6.581 2 -1 0 27
6244 447 2 Ge 2 4 0 0 2 F s 4.412 2 -1 0 28
6245 447 2 Ge 3 4 1 -1 1 F py 9.340 2 -1 0 29
6246 447 2 Ge 4 4 1 0 1 F pz 9.340 2 -1 0 30
6247 447 2 Ge 5 4 1 1 1 F px 9.340 2 -1 0 31
6248 447 2 Ge 6 4 1 -1 2 F py 5.665 2 -1 0 32
6249 447 2 Ge 7 4 1 0 2 F pz 5.665 2 -1 0 33
6250 447 2 Ge 8 4 1 1 2 F px 5.665 2 -1 0 34
6251 447 2 Ge 9 4 2 -2 1 T Pdxy 9.340 2 -1 0 35
6252 447 2 Ge 10 4 2 -1 1 T Pdyz 9.340 2 -1 0 36
6253 447 2 Ge 11 4 2 0 1 T Pdz2 9.340 2 -1 0 37
6254 447 2 Ge 12 4 2 1 1 T Pdxz 9.340 2 -1 0 38
6255 447 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 2 -1 0 39
6256 448 1 Fe 1 4 0 0 1 F s 9.649 2 -1 0 40
6257 448 1 Fe 2 4 0 0 2 F s 6.885 2 -1 0 41
6258 448 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -1 0 42
6259 448 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -1 0 43
6260 448 1 Fe 5 3 2 0 1 F dz2 6.632 2 -1 0 44
6261 448 1 Fe 6 3 2 1 1 F dxz 6.632 2 -1 0 45
6262 448 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -1 0 46
6263 448 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -1 0 47
6264 448 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -1 0 48
6265 448 1 Fe 10 3 2 0 2 F dz2 2.565 2 -1 0 49
6266 448 1 Fe 11 3 2 1 2 F dxz 2.565 2 -1 0 50
6267 448 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -1 0 51
6268 448 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -1 0 52
6269 448 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -1 0 53
6270 448 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -1 0 54
6271 449 1 Fe 1 4 0 0 1 F s 9.649 2 -1 0 55
6272 449 1 Fe 2 4 0 0 2 F s 6.885 2 -1 0 56
6273 449 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -1 0 57
6274 449 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -1 0 58
6275 449 1 Fe 5 3 2 0 1 F dz2 6.632 2 -1 0 59
6276 449 1 Fe 6 3 2 1 1 F dxz 6.632 2 -1 0 60
6277 449 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -1 0 61
6278 449 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -1 0 62
6279 449 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -1 0 63
6280 449 1 Fe 10 3 2 0 2 F dz2 2.565 2 -1 0 64
6281 449 1 Fe 11 3 2 1 2 F dxz 2.565 2 -1 0 65
6282 449 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -1 0 66
6283 449 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -1 0 67
6284 449 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -1 0 68
6285 449 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -1 0 69
6286 450 1 Fe 1 4 0 0 1 F s 9.649 2 -1 0 70
6287 450 1 Fe 2 4 0 0 2 F s 6.885 2 -1 0 71
6288 450 1 Fe 3 3 2 -2 1 F dxy 6.632 2 -1 0 72
6289 450 1 Fe 4 3 2 -1 1 F dyz 6.632 2 -1 0 73
6290 450 1 Fe 5 3 2 0 1 F dz2 6.632 2 -1 0 74
6291 450 1 Fe 6 3 2 1 1 F dxz 6.632 2 -1 0 75
6292 450 1 Fe 7 3 2 2 1 F dx2-y2 6.632 2 -1 0 76
6293 450 1 Fe 8 3 2 -2 2 F dxy 2.565 2 -1 0 77
6294 450 1 Fe 9 3 2 -1 2 F dyz 2.565 2 -1 0 78
6295 450 1 Fe 10 3 2 0 2 F dz2 2.565 2 -1 0 79
6296 450 1 Fe 11 3 2 1 2 F dxz 2.565 2 -1 0 80
6297 450 1 Fe 12 3 2 2 2 F dx2-y2 2.565 2 -1 0 81
6298 450 1 Fe 13 4 1 -1 1 T Ppy 9.649 2 -1 0 82
6299 450 1 Fe 14 4 1 0 1 T Ppz 9.649 2 -1 0 83
6300 450 1 Fe 15 4 1 1 1 T Ppx 9.649 2 -1 0 84
6301 451 3 Te 1 5 0 0 1 F s 6.195 3 -1 0 1
6302 451 3 Te 2 5 0 0 2 F s 4.205 3 -1 0 2
6303 451 3 Te 3 5 1 -1 1 F py 8.156 3 -1 0 3
6304 451 3 Te 4 5 1 0 1 F pz 8.156 3 -1 0 4
6305 451 3 Te 5 5 1 1 1 F px 8.156 3 -1 0 5
6306 451 3 Te 6 5 1 -1 2 F py 5.009 3 -1 0 6
6307 451 3 Te 7 5 1 0 2 F pz 5.009 3 -1 0 7
6308 451 3 Te 8 5 1 1 2 F px 5.009 3 -1 0 8
6309 451 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 -1 0 9
6310 451 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 -1 0 10
6311 451 3 Te 11 5 2 0 1 T Pdz2 8.156 3 -1 0 11
6312 451 3 Te 12 5 2 1 1 T Pdxz 8.156 3 -1 0 12
6313 451 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 -1 0 13
6314 452 3 Te 1 5 0 0 1 F s 6.195 3 -1 0 14
6315 452 3 Te 2 5 0 0 2 F s 4.205 3 -1 0 15
6316 452 3 Te 3 5 1 -1 1 F py 8.156 3 -1 0 16
6317 452 3 Te 4 5 1 0 1 F pz 8.156 3 -1 0 17
6318 452 3 Te 5 5 1 1 1 F px 8.156 3 -1 0 18
6319 452 3 Te 6 5 1 -1 2 F py 5.009 3 -1 0 19
6320 452 3 Te 7 5 1 0 2 F pz 5.009 3 -1 0 20
6321 452 3 Te 8 5 1 1 2 F px 5.009 3 -1 0 21
6322 452 3 Te 9 5 2 -2 1 T Pdxy 8.156 3 -1 0 22
6323 452 3 Te 10 5 2 -1 1 T Pdyz 8.156 3 -1 0 23
6324 452 3 Te 11 5 2 0 1 T Pdz2 8.156 3 -1 0 24
6325 452 3 Te 12 5 2 1 1 T Pdxz 8.156 3 -1 0 25
6326 452 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 3 -1 0 26
6327 453 2 Ge 1 4 0 0 1 F s 6.581 3 -1 0 27
6328 453 2 Ge 2 4 0 0 2 F s 4.412 3 -1 0 28
6329 453 2 Ge 3 4 1 -1 1 F py 9.340 3 -1 0 29
6330 453 2 Ge 4 4 1 0 1 F pz 9.340 3 -1 0 30
6331 453 2 Ge 5 4 1 1 1 F px 9.340 3 -1 0 31
6332 453 2 Ge 6 4 1 -1 2 F py 5.665 3 -1 0 32
6333 453 2 Ge 7 4 1 0 2 F pz 5.665 3 -1 0 33
6334 453 2 Ge 8 4 1 1 2 F px 5.665 3 -1 0 34
6335 453 2 Ge 9 4 2 -2 1 T Pdxy 9.340 3 -1 0 35
6336 453 2 Ge 10 4 2 -1 1 T Pdyz 9.340 3 -1 0 36
6337 453 2 Ge 11 4 2 0 1 T Pdz2 9.340 3 -1 0 37
6338 453 2 Ge 12 4 2 1 1 T Pdxz 9.340 3 -1 0 38
6339 453 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 3 -1 0 39
6340 454 1 Fe 1 4 0 0 1 F s 9.649 3 -1 0 40
6341 454 1 Fe 2 4 0 0 2 F s 6.885 3 -1 0 41
6342 454 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -1 0 42
6343 454 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -1 0 43
6344 454 1 Fe 5 3 2 0 1 F dz2 6.632 3 -1 0 44
6345 454 1 Fe 6 3 2 1 1 F dxz 6.632 3 -1 0 45
6346 454 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -1 0 46
6347 454 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -1 0 47
6348 454 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -1 0 48
6349 454 1 Fe 10 3 2 0 2 F dz2 2.565 3 -1 0 49
6350 454 1 Fe 11 3 2 1 2 F dxz 2.565 3 -1 0 50
6351 454 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -1 0 51
6352 454 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -1 0 52
6353 454 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -1 0 53
6354 454 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -1 0 54
6355 455 1 Fe 1 4 0 0 1 F s 9.649 3 -1 0 55
6356 455 1 Fe 2 4 0 0 2 F s 6.885 3 -1 0 56
6357 455 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -1 0 57
6358 455 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -1 0 58
6359 455 1 Fe 5 3 2 0 1 F dz2 6.632 3 -1 0 59
6360 455 1 Fe 6 3 2 1 1 F dxz 6.632 3 -1 0 60
6361 455 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -1 0 61
6362 455 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -1 0 62
6363 455 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -1 0 63
6364 455 1 Fe 10 3 2 0 2 F dz2 2.565 3 -1 0 64
6365 455 1 Fe 11 3 2 1 2 F dxz 2.565 3 -1 0 65
6366 455 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -1 0 66
6367 455 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -1 0 67
6368 455 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -1 0 68
6369 455 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -1 0 69
6370 456 1 Fe 1 4 0 0 1 F s 9.649 3 -1 0 70
6371 456 1 Fe 2 4 0 0 2 F s 6.885 3 -1 0 71
6372 456 1 Fe 3 3 2 -2 1 F dxy 6.632 3 -1 0 72
6373 456 1 Fe 4 3 2 -1 1 F dyz 6.632 3 -1 0 73
6374 456 1 Fe 5 3 2 0 1 F dz2 6.632 3 -1 0 74
6375 456 1 Fe 6 3 2 1 1 F dxz 6.632 3 -1 0 75
6376 456 1 Fe 7 3 2 2 1 F dx2-y2 6.632 3 -1 0 76
6377 456 1 Fe 8 3 2 -2 2 F dxy 2.565 3 -1 0 77
6378 456 1 Fe 9 3 2 -1 2 F dyz 2.565 3 -1 0 78
6379 456 1 Fe 10 3 2 0 2 F dz2 2.565 3 -1 0 79
6380 456 1 Fe 11 3 2 1 2 F dxz 2.565 3 -1 0 80
6381 456 1 Fe 12 3 2 2 2 F dx2-y2 2.565 3 -1 0 81
6382 456 1 Fe 13 4 1 -1 1 T Ppy 9.649 3 -1 0 82
6383 456 1 Fe 14 4 1 0 1 T Ppz 9.649 3 -1 0 83
6384 456 1 Fe 15 4 1 1 1 T Ppx 9.649 3 -1 0 84
6385 457 3 Te 1 5 0 0 1 F s 6.195 4 -1 0 1
6386 457 3 Te 2 5 0 0 2 F s 4.205 4 -1 0 2
6387 457 3 Te 3 5 1 -1 1 F py 8.156 4 -1 0 3
6388 457 3 Te 4 5 1 0 1 F pz 8.156 4 -1 0 4
6389 457 3 Te 5 5 1 1 1 F px 8.156 4 -1 0 5
6390 457 3 Te 6 5 1 -1 2 F py 5.009 4 -1 0 6
6391 457 3 Te 7 5 1 0 2 F pz 5.009 4 -1 0 7
6392 457 3 Te 8 5 1 1 2 F px 5.009 4 -1 0 8
6393 457 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 -1 0 9
6394 457 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 -1 0 10
6395 457 3 Te 11 5 2 0 1 T Pdz2 8.156 4 -1 0 11
6396 457 3 Te 12 5 2 1 1 T Pdxz 8.156 4 -1 0 12
6397 457 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 -1 0 13
6398 458 3 Te 1 5 0 0 1 F s 6.195 4 -1 0 14
6399 458 3 Te 2 5 0 0 2 F s 4.205 4 -1 0 15
6400 458 3 Te 3 5 1 -1 1 F py 8.156 4 -1 0 16
6401 458 3 Te 4 5 1 0 1 F pz 8.156 4 -1 0 17
6402 458 3 Te 5 5 1 1 1 F px 8.156 4 -1 0 18
6403 458 3 Te 6 5 1 -1 2 F py 5.009 4 -1 0 19
6404 458 3 Te 7 5 1 0 2 F pz 5.009 4 -1 0 20
6405 458 3 Te 8 5 1 1 2 F px 5.009 4 -1 0 21
6406 458 3 Te 9 5 2 -2 1 T Pdxy 8.156 4 -1 0 22
6407 458 3 Te 10 5 2 -1 1 T Pdyz 8.156 4 -1 0 23
6408 458 3 Te 11 5 2 0 1 T Pdz2 8.156 4 -1 0 24
6409 458 3 Te 12 5 2 1 1 T Pdxz 8.156 4 -1 0 25
6410 458 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 4 -1 0 26
6411 459 2 Ge 1 4 0 0 1 F s 6.581 4 -1 0 27
6412 459 2 Ge 2 4 0 0 2 F s 4.412 4 -1 0 28
6413 459 2 Ge 3 4 1 -1 1 F py 9.340 4 -1 0 29
6414 459 2 Ge 4 4 1 0 1 F pz 9.340 4 -1 0 30
6415 459 2 Ge 5 4 1 1 1 F px 9.340 4 -1 0 31
6416 459 2 Ge 6 4 1 -1 2 F py 5.665 4 -1 0 32
6417 459 2 Ge 7 4 1 0 2 F pz 5.665 4 -1 0 33
6418 459 2 Ge 8 4 1 1 2 F px 5.665 4 -1 0 34
6419 459 2 Ge 9 4 2 -2 1 T Pdxy 9.340 4 -1 0 35
6420 459 2 Ge 10 4 2 -1 1 T Pdyz 9.340 4 -1 0 36
6421 459 2 Ge 11 4 2 0 1 T Pdz2 9.340 4 -1 0 37
6422 459 2 Ge 12 4 2 1 1 T Pdxz 9.340 4 -1 0 38
6423 459 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 4 -1 0 39
6424 460 1 Fe 1 4 0 0 1 F s 9.649 4 -1 0 40
6425 460 1 Fe 2 4 0 0 2 F s 6.885 4 -1 0 41
6426 460 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -1 0 42
6427 460 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -1 0 43
6428 460 1 Fe 5 3 2 0 1 F dz2 6.632 4 -1 0 44
6429 460 1 Fe 6 3 2 1 1 F dxz 6.632 4 -1 0 45
6430 460 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -1 0 46
6431 460 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -1 0 47
6432 460 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -1 0 48
6433 460 1 Fe 10 3 2 0 2 F dz2 2.565 4 -1 0 49
6434 460 1 Fe 11 3 2 1 2 F dxz 2.565 4 -1 0 50
6435 460 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -1 0 51
6436 460 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -1 0 52
6437 460 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -1 0 53
6438 460 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -1 0 54
6439 461 1 Fe 1 4 0 0 1 F s 9.649 4 -1 0 55
6440 461 1 Fe 2 4 0 0 2 F s 6.885 4 -1 0 56
6441 461 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -1 0 57
6442 461 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -1 0 58
6443 461 1 Fe 5 3 2 0 1 F dz2 6.632 4 -1 0 59
6444 461 1 Fe 6 3 2 1 1 F dxz 6.632 4 -1 0 60
6445 461 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -1 0 61
6446 461 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -1 0 62
6447 461 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -1 0 63
6448 461 1 Fe 10 3 2 0 2 F dz2 2.565 4 -1 0 64
6449 461 1 Fe 11 3 2 1 2 F dxz 2.565 4 -1 0 65
6450 461 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -1 0 66
6451 461 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -1 0 67
6452 461 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -1 0 68
6453 461 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -1 0 69
6454 462 1 Fe 1 4 0 0 1 F s 9.649 4 -1 0 70
6455 462 1 Fe 2 4 0 0 2 F s 6.885 4 -1 0 71
6456 462 1 Fe 3 3 2 -2 1 F dxy 6.632 4 -1 0 72
6457 462 1 Fe 4 3 2 -1 1 F dyz 6.632 4 -1 0 73
6458 462 1 Fe 5 3 2 0 1 F dz2 6.632 4 -1 0 74
6459 462 1 Fe 6 3 2 1 1 F dxz 6.632 4 -1 0 75
6460 462 1 Fe 7 3 2 2 1 F dx2-y2 6.632 4 -1 0 76
6461 462 1 Fe 8 3 2 -2 2 F dxy 2.565 4 -1 0 77
6462 462 1 Fe 9 3 2 -1 2 F dyz 2.565 4 -1 0 78
6463 462 1 Fe 10 3 2 0 2 F dz2 2.565 4 -1 0 79
6464 462 1 Fe 11 3 2 1 2 F dxz 2.565 4 -1 0 80
6465 462 1 Fe 12 3 2 2 2 F dx2-y2 2.565 4 -1 0 81
6466 462 1 Fe 13 4 1 -1 1 T Ppy 9.649 4 -1 0 82
6467 462 1 Fe 14 4 1 0 1 T Ppz 9.649 4 -1 0 83
6468 462 1 Fe 15 4 1 1 1 T Ppx 9.649 4 -1 0 84
6469 463 3 Te 1 5 0 0 1 F s 6.195 -4 -1 0 1
6470 463 3 Te 2 5 0 0 2 F s 4.205 -4 -1 0 2
6471 463 3 Te 3 5 1 -1 1 F py 8.156 -4 -1 0 3
6472 463 3 Te 4 5 1 0 1 F pz 8.156 -4 -1 0 4
6473 463 3 Te 5 5 1 1 1 F px 8.156 -4 -1 0 5
6474 463 3 Te 6 5 1 -1 2 F py 5.009 -4 -1 0 6
6475 463 3 Te 7 5 1 0 2 F pz 5.009 -4 -1 0 7
6476 463 3 Te 8 5 1 1 2 F px 5.009 -4 -1 0 8
6477 463 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 -1 0 9
6478 463 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 -1 0 10
6479 463 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 -1 0 11
6480 463 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 -1 0 12
6481 463 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 -1 0 13
6482 464 3 Te 1 5 0 0 1 F s 6.195 -4 -1 0 14
6483 464 3 Te 2 5 0 0 2 F s 4.205 -4 -1 0 15
6484 464 3 Te 3 5 1 -1 1 F py 8.156 -4 -1 0 16
6485 464 3 Te 4 5 1 0 1 F pz 8.156 -4 -1 0 17
6486 464 3 Te 5 5 1 1 1 F px 8.156 -4 -1 0 18
6487 464 3 Te 6 5 1 -1 2 F py 5.009 -4 -1 0 19
6488 464 3 Te 7 5 1 0 2 F pz 5.009 -4 -1 0 20
6489 464 3 Te 8 5 1 1 2 F px 5.009 -4 -1 0 21
6490 464 3 Te 9 5 2 -2 1 T Pdxy 8.156 -4 -1 0 22
6491 464 3 Te 10 5 2 -1 1 T Pdyz 8.156 -4 -1 0 23
6492 464 3 Te 11 5 2 0 1 T Pdz2 8.156 -4 -1 0 24
6493 464 3 Te 12 5 2 1 1 T Pdxz 8.156 -4 -1 0 25
6494 464 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -4 -1 0 26
6495 465 2 Ge 1 4 0 0 1 F s 6.581 -4 -1 0 27
6496 465 2 Ge 2 4 0 0 2 F s 4.412 -4 -1 0 28
6497 465 2 Ge 3 4 1 -1 1 F py 9.340 -4 -1 0 29
6498 465 2 Ge 4 4 1 0 1 F pz 9.340 -4 -1 0 30
6499 465 2 Ge 5 4 1 1 1 F px 9.340 -4 -1 0 31
6500 465 2 Ge 6 4 1 -1 2 F py 5.665 -4 -1 0 32
6501 465 2 Ge 7 4 1 0 2 F pz 5.665 -4 -1 0 33
6502 465 2 Ge 8 4 1 1 2 F px 5.665 -4 -1 0 34
6503 465 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -4 -1 0 35
6504 465 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -4 -1 0 36
6505 465 2 Ge 11 4 2 0 1 T Pdz2 9.340 -4 -1 0 37
6506 465 2 Ge 12 4 2 1 1 T Pdxz 9.340 -4 -1 0 38
6507 465 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -4 -1 0 39
6508 466 1 Fe 1 4 0 0 1 F s 9.649 -4 -1 0 40
6509 466 1 Fe 2 4 0 0 2 F s 6.885 -4 -1 0 41
6510 466 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -1 0 42
6511 466 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -1 0 43
6512 466 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -1 0 44
6513 466 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -1 0 45
6514 466 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -1 0 46
6515 466 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -1 0 47
6516 466 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -1 0 48
6517 466 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -1 0 49
6518 466 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -1 0 50
6519 466 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -1 0 51
6520 466 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -1 0 52
6521 466 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -1 0 53
6522 466 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -1 0 54
6523 467 1 Fe 1 4 0 0 1 F s 9.649 -4 -1 0 55
6524 467 1 Fe 2 4 0 0 2 F s 6.885 -4 -1 0 56
6525 467 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -1 0 57
6526 467 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -1 0 58
6527 467 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -1 0 59
6528 467 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -1 0 60
6529 467 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -1 0 61
6530 467 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -1 0 62
6531 467 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -1 0 63
6532 467 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -1 0 64
6533 467 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -1 0 65
6534 467 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -1 0 66
6535 467 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -1 0 67
6536 467 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -1 0 68
6537 467 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -1 0 69
6538 468 1 Fe 1 4 0 0 1 F s 9.649 -4 -1 0 70
6539 468 1 Fe 2 4 0 0 2 F s 6.885 -4 -1 0 71
6540 468 1 Fe 3 3 2 -2 1 F dxy 6.632 -4 -1 0 72
6541 468 1 Fe 4 3 2 -1 1 F dyz 6.632 -4 -1 0 73
6542 468 1 Fe 5 3 2 0 1 F dz2 6.632 -4 -1 0 74
6543 468 1 Fe 6 3 2 1 1 F dxz 6.632 -4 -1 0 75
6544 468 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -4 -1 0 76
6545 468 1 Fe 8 3 2 -2 2 F dxy 2.565 -4 -1 0 77
6546 468 1 Fe 9 3 2 -1 2 F dyz 2.565 -4 -1 0 78
6547 468 1 Fe 10 3 2 0 2 F dz2 2.565 -4 -1 0 79
6548 468 1 Fe 11 3 2 1 2 F dxz 2.565 -4 -1 0 80
6549 468 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -4 -1 0 81
6550 468 1 Fe 13 4 1 -1 1 T Ppy 9.649 -4 -1 0 82
6551 468 1 Fe 14 4 1 0 1 T Ppz 9.649 -4 -1 0 83
6552 468 1 Fe 15 4 1 1 1 T Ppx 9.649 -4 -1 0 84
6553 469 3 Te 1 5 0 0 1 F s 6.195 -3 -1 0 1
6554 469 3 Te 2 5 0 0 2 F s 4.205 -3 -1 0 2
6555 469 3 Te 3 5 1 -1 1 F py 8.156 -3 -1 0 3
6556 469 3 Te 4 5 1 0 1 F pz 8.156 -3 -1 0 4
6557 469 3 Te 5 5 1 1 1 F px 8.156 -3 -1 0 5
6558 469 3 Te 6 5 1 -1 2 F py 5.009 -3 -1 0 6
6559 469 3 Te 7 5 1 0 2 F pz 5.009 -3 -1 0 7
6560 469 3 Te 8 5 1 1 2 F px 5.009 -3 -1 0 8
6561 469 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 -1 0 9
6562 469 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 -1 0 10
6563 469 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 -1 0 11
6564 469 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 -1 0 12
6565 469 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 -1 0 13
6566 470 3 Te 1 5 0 0 1 F s 6.195 -3 -1 0 14
6567 470 3 Te 2 5 0 0 2 F s 4.205 -3 -1 0 15
6568 470 3 Te 3 5 1 -1 1 F py 8.156 -3 -1 0 16
6569 470 3 Te 4 5 1 0 1 F pz 8.156 -3 -1 0 17
6570 470 3 Te 5 5 1 1 1 F px 8.156 -3 -1 0 18
6571 470 3 Te 6 5 1 -1 2 F py 5.009 -3 -1 0 19
6572 470 3 Te 7 5 1 0 2 F pz 5.009 -3 -1 0 20
6573 470 3 Te 8 5 1 1 2 F px 5.009 -3 -1 0 21
6574 470 3 Te 9 5 2 -2 1 T Pdxy 8.156 -3 -1 0 22
6575 470 3 Te 10 5 2 -1 1 T Pdyz 8.156 -3 -1 0 23
6576 470 3 Te 11 5 2 0 1 T Pdz2 8.156 -3 -1 0 24
6577 470 3 Te 12 5 2 1 1 T Pdxz 8.156 -3 -1 0 25
6578 470 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -3 -1 0 26
6579 471 2 Ge 1 4 0 0 1 F s 6.581 -3 -1 0 27
6580 471 2 Ge 2 4 0 0 2 F s 4.412 -3 -1 0 28
6581 471 2 Ge 3 4 1 -1 1 F py 9.340 -3 -1 0 29
6582 471 2 Ge 4 4 1 0 1 F pz 9.340 -3 -1 0 30
6583 471 2 Ge 5 4 1 1 1 F px 9.340 -3 -1 0 31
6584 471 2 Ge 6 4 1 -1 2 F py 5.665 -3 -1 0 32
6585 471 2 Ge 7 4 1 0 2 F pz 5.665 -3 -1 0 33
6586 471 2 Ge 8 4 1 1 2 F px 5.665 -3 -1 0 34
6587 471 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -3 -1 0 35
6588 471 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -3 -1 0 36
6589 471 2 Ge 11 4 2 0 1 T Pdz2 9.340 -3 -1 0 37
6590 471 2 Ge 12 4 2 1 1 T Pdxz 9.340 -3 -1 0 38
6591 471 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -3 -1 0 39
6592 472 1 Fe 1 4 0 0 1 F s 9.649 -3 -1 0 40
6593 472 1 Fe 2 4 0 0 2 F s 6.885 -3 -1 0 41
6594 472 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -1 0 42
6595 472 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -1 0 43
6596 472 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -1 0 44
6597 472 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -1 0 45
6598 472 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -1 0 46
6599 472 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -1 0 47
6600 472 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -1 0 48
6601 472 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -1 0 49
6602 472 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -1 0 50
6603 472 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -1 0 51
6604 472 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -1 0 52
6605 472 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -1 0 53
6606 472 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -1 0 54
6607 473 1 Fe 1 4 0 0 1 F s 9.649 -3 -1 0 55
6608 473 1 Fe 2 4 0 0 2 F s 6.885 -3 -1 0 56
6609 473 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -1 0 57
6610 473 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -1 0 58
6611 473 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -1 0 59
6612 473 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -1 0 60
6613 473 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -1 0 61
6614 473 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -1 0 62
6615 473 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -1 0 63
6616 473 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -1 0 64
6617 473 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -1 0 65
6618 473 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -1 0 66
6619 473 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -1 0 67
6620 473 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -1 0 68
6621 473 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -1 0 69
6622 474 1 Fe 1 4 0 0 1 F s 9.649 -3 -1 0 70
6623 474 1 Fe 2 4 0 0 2 F s 6.885 -3 -1 0 71
6624 474 1 Fe 3 3 2 -2 1 F dxy 6.632 -3 -1 0 72
6625 474 1 Fe 4 3 2 -1 1 F dyz 6.632 -3 -1 0 73
6626 474 1 Fe 5 3 2 0 1 F dz2 6.632 -3 -1 0 74
6627 474 1 Fe 6 3 2 1 1 F dxz 6.632 -3 -1 0 75
6628 474 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -3 -1 0 76
6629 474 1 Fe 8 3 2 -2 2 F dxy 2.565 -3 -1 0 77
6630 474 1 Fe 9 3 2 -1 2 F dyz 2.565 -3 -1 0 78
6631 474 1 Fe 10 3 2 0 2 F dz2 2.565 -3 -1 0 79
6632 474 1 Fe 11 3 2 1 2 F dxz 2.565 -3 -1 0 80
6633 474 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -3 -1 0 81
6634 474 1 Fe 13 4 1 -1 1 T Ppy 9.649 -3 -1 0 82
6635 474 1 Fe 14 4 1 0 1 T Ppz 9.649 -3 -1 0 83
6636 474 1 Fe 15 4 1 1 1 T Ppx 9.649 -3 -1 0 84
6637 475 3 Te 1 5 0 0 1 F s 6.195 -2 -1 0 1
6638 475 3 Te 2 5 0 0 2 F s 4.205 -2 -1 0 2
6639 475 3 Te 3 5 1 -1 1 F py 8.156 -2 -1 0 3
6640 475 3 Te 4 5 1 0 1 F pz 8.156 -2 -1 0 4
6641 475 3 Te 5 5 1 1 1 F px 8.156 -2 -1 0 5
6642 475 3 Te 6 5 1 -1 2 F py 5.009 -2 -1 0 6
6643 475 3 Te 7 5 1 0 2 F pz 5.009 -2 -1 0 7
6644 475 3 Te 8 5 1 1 2 F px 5.009 -2 -1 0 8
6645 475 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 -1 0 9
6646 475 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 -1 0 10
6647 475 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 -1 0 11
6648 475 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 -1 0 12
6649 475 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 -1 0 13
6650 476 3 Te 1 5 0 0 1 F s 6.195 -2 -1 0 14
6651 476 3 Te 2 5 0 0 2 F s 4.205 -2 -1 0 15
6652 476 3 Te 3 5 1 -1 1 F py 8.156 -2 -1 0 16
6653 476 3 Te 4 5 1 0 1 F pz 8.156 -2 -1 0 17
6654 476 3 Te 5 5 1 1 1 F px 8.156 -2 -1 0 18
6655 476 3 Te 6 5 1 -1 2 F py 5.009 -2 -1 0 19
6656 476 3 Te 7 5 1 0 2 F pz 5.009 -2 -1 0 20
6657 476 3 Te 8 5 1 1 2 F px 5.009 -2 -1 0 21
6658 476 3 Te 9 5 2 -2 1 T Pdxy 8.156 -2 -1 0 22
6659 476 3 Te 10 5 2 -1 1 T Pdyz 8.156 -2 -1 0 23
6660 476 3 Te 11 5 2 0 1 T Pdz2 8.156 -2 -1 0 24
6661 476 3 Te 12 5 2 1 1 T Pdxz 8.156 -2 -1 0 25
6662 476 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -2 -1 0 26
6663 477 2 Ge 1 4 0 0 1 F s 6.581 -2 -1 0 27
6664 477 2 Ge 2 4 0 0 2 F s 4.412 -2 -1 0 28
6665 477 2 Ge 3 4 1 -1 1 F py 9.340 -2 -1 0 29
6666 477 2 Ge 4 4 1 0 1 F pz 9.340 -2 -1 0 30
6667 477 2 Ge 5 4 1 1 1 F px 9.340 -2 -1 0 31
6668 477 2 Ge 6 4 1 -1 2 F py 5.665 -2 -1 0 32
6669 477 2 Ge 7 4 1 0 2 F pz 5.665 -2 -1 0 33
6670 477 2 Ge 8 4 1 1 2 F px 5.665 -2 -1 0 34
6671 477 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -2 -1 0 35
6672 477 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -2 -1 0 36
6673 477 2 Ge 11 4 2 0 1 T Pdz2 9.340 -2 -1 0 37
6674 477 2 Ge 12 4 2 1 1 T Pdxz 9.340 -2 -1 0 38
6675 477 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -2 -1 0 39
6676 478 1 Fe 1 4 0 0 1 F s 9.649 -2 -1 0 40
6677 478 1 Fe 2 4 0 0 2 F s 6.885 -2 -1 0 41
6678 478 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -1 0 42
6679 478 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -1 0 43
6680 478 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -1 0 44
6681 478 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -1 0 45
6682 478 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -1 0 46
6683 478 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -1 0 47
6684 478 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -1 0 48
6685 478 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -1 0 49
6686 478 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -1 0 50
6687 478 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -1 0 51
6688 478 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -1 0 52
6689 478 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -1 0 53
6690 478 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -1 0 54
6691 479 1 Fe 1 4 0 0 1 F s 9.649 -2 -1 0 55
6692 479 1 Fe 2 4 0 0 2 F s 6.885 -2 -1 0 56
6693 479 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -1 0 57
6694 479 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -1 0 58
6695 479 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -1 0 59
6696 479 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -1 0 60
6697 479 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -1 0 61
6698 479 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -1 0 62
6699 479 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -1 0 63
6700 479 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -1 0 64
6701 479 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -1 0 65
6702 479 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -1 0 66
6703 479 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -1 0 67
6704 479 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -1 0 68
6705 479 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -1 0 69
6706 480 1 Fe 1 4 0 0 1 F s 9.649 -2 -1 0 70
6707 480 1 Fe 2 4 0 0 2 F s 6.885 -2 -1 0 71
6708 480 1 Fe 3 3 2 -2 1 F dxy 6.632 -2 -1 0 72
6709 480 1 Fe 4 3 2 -1 1 F dyz 6.632 -2 -1 0 73
6710 480 1 Fe 5 3 2 0 1 F dz2 6.632 -2 -1 0 74
6711 480 1 Fe 6 3 2 1 1 F dxz 6.632 -2 -1 0 75
6712 480 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -2 -1 0 76
6713 480 1 Fe 8 3 2 -2 2 F dxy 2.565 -2 -1 0 77
6714 480 1 Fe 9 3 2 -1 2 F dyz 2.565 -2 -1 0 78
6715 480 1 Fe 10 3 2 0 2 F dz2 2.565 -2 -1 0 79
6716 480 1 Fe 11 3 2 1 2 F dxz 2.565 -2 -1 0 80
6717 480 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -2 -1 0 81
6718 480 1 Fe 13 4 1 -1 1 T Ppy 9.649 -2 -1 0 82
6719 480 1 Fe 14 4 1 0 1 T Ppz 9.649 -2 -1 0 83
6720 480 1 Fe 15 4 1 1 1 T Ppx 9.649 -2 -1 0 84
6721 481 3 Te 1 5 0 0 1 F s 6.195 -1 -1 0 1
6722 481 3 Te 2 5 0 0 2 F s 4.205 -1 -1 0 2
6723 481 3 Te 3 5 1 -1 1 F py 8.156 -1 -1 0 3
6724 481 3 Te 4 5 1 0 1 F pz 8.156 -1 -1 0 4
6725 481 3 Te 5 5 1 1 1 F px 8.156 -1 -1 0 5
6726 481 3 Te 6 5 1 -1 2 F py 5.009 -1 -1 0 6
6727 481 3 Te 7 5 1 0 2 F pz 5.009 -1 -1 0 7
6728 481 3 Te 8 5 1 1 2 F px 5.009 -1 -1 0 8
6729 481 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 -1 0 9
6730 481 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 -1 0 10
6731 481 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 -1 0 11
6732 481 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 -1 0 12
6733 481 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 -1 0 13
6734 482 3 Te 1 5 0 0 1 F s 6.195 -1 -1 0 14
6735 482 3 Te 2 5 0 0 2 F s 4.205 -1 -1 0 15
6736 482 3 Te 3 5 1 -1 1 F py 8.156 -1 -1 0 16
6737 482 3 Te 4 5 1 0 1 F pz 8.156 -1 -1 0 17
6738 482 3 Te 5 5 1 1 1 F px 8.156 -1 -1 0 18
6739 482 3 Te 6 5 1 -1 2 F py 5.009 -1 -1 0 19
6740 482 3 Te 7 5 1 0 2 F pz 5.009 -1 -1 0 20
6741 482 3 Te 8 5 1 1 2 F px 5.009 -1 -1 0 21
6742 482 3 Te 9 5 2 -2 1 T Pdxy 8.156 -1 -1 0 22
6743 482 3 Te 10 5 2 -1 1 T Pdyz 8.156 -1 -1 0 23
6744 482 3 Te 11 5 2 0 1 T Pdz2 8.156 -1 -1 0 24
6745 482 3 Te 12 5 2 1 1 T Pdxz 8.156 -1 -1 0 25
6746 482 3 Te 13 5 2 2 1 T Pdx2-y2 8.156 -1 -1 0 26
6747 483 2 Ge 1 4 0 0 1 F s 6.581 -1 -1 0 27
6748 483 2 Ge 2 4 0 0 2 F s 4.412 -1 -1 0 28
6749 483 2 Ge 3 4 1 -1 1 F py 9.340 -1 -1 0 29
6750 483 2 Ge 4 4 1 0 1 F pz 9.340 -1 -1 0 30
6751 483 2 Ge 5 4 1 1 1 F px 9.340 -1 -1 0 31
6752 483 2 Ge 6 4 1 -1 2 F py 5.665 -1 -1 0 32
6753 483 2 Ge 7 4 1 0 2 F pz 5.665 -1 -1 0 33
6754 483 2 Ge 8 4 1 1 2 F px 5.665 -1 -1 0 34
6755 483 2 Ge 9 4 2 -2 1 T Pdxy 9.340 -1 -1 0 35
6756 483 2 Ge 10 4 2 -1 1 T Pdyz 9.340 -1 -1 0 36
6757 483 2 Ge 11 4 2 0 1 T Pdz2 9.340 -1 -1 0 37
6758 483 2 Ge 12 4 2 1 1 T Pdxz 9.340 -1 -1 0 38
6759 483 2 Ge 13 4 2 2 1 T Pdx2-y2 9.340 -1 -1 0 39
6760 484 1 Fe 1 4 0 0 1 F s 9.649 -1 -1 0 40
6761 484 1 Fe 2 4 0 0 2 F s 6.885 -1 -1 0 41
6762 484 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -1 0 42
6763 484 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -1 0 43
6764 484 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -1 0 44
6765 484 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -1 0 45
6766 484 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -1 0 46
6767 484 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -1 0 47
6768 484 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -1 0 48
6769 484 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -1 0 49
6770 484 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -1 0 50
6771 484 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -1 0 51
6772 484 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -1 0 52
6773 484 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -1 0 53
6774 484 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -1 0 54
6775 485 1 Fe 1 4 0 0 1 F s 9.649 -1 -1 0 55
6776 485 1 Fe 2 4 0 0 2 F s 6.885 -1 -1 0 56
6777 485 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -1 0 57
6778 485 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -1 0 58
6779 485 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -1 0 59
6780 485 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -1 0 60
6781 485 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -1 0 61
6782 485 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -1 0 62
6783 485 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -1 0 63
6784 485 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -1 0 64
6785 485 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -1 0 65
6786 485 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -1 0 66
6787 485 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -1 0 67
6788 485 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -1 0 68
6789 485 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -1 0 69
6790 486 1 Fe 1 4 0 0 1 F s 9.649 -1 -1 0 70
6791 486 1 Fe 2 4 0 0 2 F s 6.885 -1 -1 0 71
6792 486 1 Fe 3 3 2 -2 1 F dxy 6.632 -1 -1 0 72
6793 486 1 Fe 4 3 2 -1 1 F dyz 6.632 -1 -1 0 73
6794 486 1 Fe 5 3 2 0 1 F dz2 6.632 -1 -1 0 74
6795 486 1 Fe 6 3 2 1 1 F dxz 6.632 -1 -1 0 75
6796 486 1 Fe 7 3 2 2 1 F dx2-y2 6.632 -1 -1 0 76
6797 486 1 Fe 8 3 2 -2 2 F dxy 2.565 -1 -1 0 77
6798 486 1 Fe 9 3 2 -1 2 F dyz 2.565 -1 -1 0 78
6799 486 1 Fe 10 3 2 0 2 F dz2 2.565 -1 -1 0 79
6800 486 1 Fe 11 3 2 1 2 F dxz 2.565 -1 -1 0 80
6801 486 1 Fe 12 3 2 2 2 F dx2-y2 2.565 -1 -1 0 81
6802 486 1 Fe 13 4 1 -1 1 T Ppy 9.649 -1 -1 0 82
6803 486 1 Fe 14 4 1 0 1 T Ppz 9.649 -1 -1 0 83
6804 486 1 Fe 15 4 1 1 1 T Ppx 9.649 -1 -1 0 84
Column codes:
io = Orbital index in supercell
ia = Atom to which orbital belongs
is = Atomic species index
spec = Atomic species label
iao = Orbital index within atom
n = Principal quantum number
l = Angular mumentum quantum number
m = Magnetic quantum number of (real) orbital:
m<0 => sin(m*phi), m>=0 => cos(m*phi)
z = Zeta index of orbital
p = Is this a polarization orbital? (False|True)
sym = Symmetry name of real orbital
rc = Cutoff radius of orbital (Bohr)
isc = Unit cell indexes to which orbital belongs:
center(io) = center(iuo) + sum_(i=1:3) cell_vec(i) * isc(i)
iuo = Equivalent orbital in first unit cell
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