N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2591 | 0.5132 | 0.7583 | 0.0100 | U |
2 | 0.0276 | 0.3775 | 0.7628 | 0.0100 | U |
3 | 0.2792 | 0.7451 | 0.7474 | 0.0100 | U |
4 | -0.0008 | 0.6127 | 0.7497 | 0.0100 | U |
5 | 0.2797 | 0.0134 | 0.7406 | 0.0100 | U |
6 | 0.0117 | 0.8772 | 0.7631 | 0.0100 | U |
7 | 0.2607 | 0.2450 | 0.7520 | 0.0100 | U |
8 | 0.0396 | 0.1132 | 0.7500 | 0.0100 | U |
9 | 0.2786 | 0.5016 | 0.6402 | 0.0100 | O |
10 | 0.2473 | 0.5218 | 0.8791 | 0.0100 | O |
11 | 0.0229 | 0.3409 | 0.6490 | 0.0200 | O |
12 | 0.0302 | 0.4156 | 0.8724 | 0.0100 | O |
13 | 0.2344 | 0.7381 | 0.6367 | 0.0200 | O |
14 | 0.3262 | 0.7618 | 0.8593 | 0.0100 | O |
15 | 0.0162 | 0.6487 | 0.6383 | 0.0400 | O |
16 | -0.0041 | 0.5815 | 0.8689 | 0.0100 | O |
17 | 0.3063 | 0.0221 | 0.6248 | 0.0200 | O |
18 | 0.2575 | -0.0092 | 0.8559 | 0.0200 | O |
19 | 0.0124 | 0.9067 | 0.8803 | 0.0100 | O |
20 | 0.0057 | 0.8446 | 0.6484 | 0.0200 | O |
21 | 0.2249 | 0.2533 | 0.6364 | 0.0300 | O |
22 | 0.2980 | 0.2352 | 0.8685 | 0.0200 | O |
23 | 0.0431 | 0.0800 | 0.8616 | 0.0200 | O |
24 | 0.0345 | 0.1425 | 0.6332 | 0.0100 | O |
25 | -0.1530 | 0.6265 | 0.7408 | 0.0100 | O |
26 | 0.1985 | 0.1205 | 0.7619 | 0.0100 | O |
27 | 0.3412 | 0.8803 | 0.7036 | 0.0100 | OH |
28 | 0.4180 | 0.4814 | 0.7885 | 0.0100 | OH |
29 | 0.1612 | 0.6457 | 0.7802 | 0.0100 | OH |
30 | 0.1578 | 0.8270 | 0.7948 | 0.0100 | OH |
31 | -0.0372 | 0.7429 | 0.7985 | 0.0100 | OH |
32 | 0.1026 | 0.5020 | 0.7041 | 0.0100 | OH |
33 | 0.2083 | 0.3751 | 0.7845 | 0.0100 | OH |
34 | 0.1222 | -0.0209 | 0.7053 | 0.0100 | OH |
35 | 0.3835 | 0.1501 | 0.7099 | 0.0100 | OH |
36 | 0.3881 | 0.3213 | 0.6980 | 0.0100 | OH |
37 | 0.0907 | 0.2490 | 0.8053 | 0.0100 | OH |
38 | 0.4422 | -0.0010 | 0.7811 | 0.0100 | OH |
39 | 0.3221 | -0.1226 | 0.5227 | 0.0000 | H2O |
40 | 0.4091 | 0.5197 | 0.4790 | 0.0200 | H2O |
41 | 0.1703 | 0.3499 | 0.4761 | 0.0200 | H2O |
42 | 0.1874 | 0.1324 | 0.4837 | 0.0300 | H2O |
43 | 0.4822 | 0.7469 | 0.5139 | 0.0400 | H2O |
44 | 0.1038 | 0.5038 | 0.5341 | 0.0200 | H2O |
45 | 0.2434 | 0.6184 | 0.4811 | 0.0300 | H2O |
46 | 0.1451 | -0.0423 | 0.5225 | 0.0500 | H2O |
47 | 0.3871 | 0.1600 | 0.5295 | 0.0500 | H2O |
48 | 0.3595 | 0.3528 | 0.5145 | 0.0300 | H2O |
49 | 0.0895 | 0.7612 | 0.4862 | 0.0500 | H2O |
50 | 0.4307 | 0.0066 | 0.4664 | 0.0200 | H2O |