# Details of computing
0: LATTIL.cif
1: LATTOR.cif
2: LATTOR01.cif
3: PAQNOM.cif
4: PYRZIN.cif
5: PYRZIN01.cif
6: PYRZIN02.cif
7: PYRZIN05.cif
8: PYRZIN14.cif
9: PYRZIN15.cif
10: PYRZIN16.cif
11: PYRZIN17.cif
12: PYRZIN18.cif
13: PYRZIN19.cif
14: PYRZIN20.cif
15: PYRZIN21.cif
16: PYRZIN22.cif
17: PYRZIN23.cif
18: SIHRAE.cif
19: SIHRAE01.cif
20: UZODUK.cif
-------------------------------------
| | 0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 |
| 0 | 0.0000 |
0.2201 |
0.2232 |
21.3647 |
15.6821 |
15.6005 |
22.3543 |
20.3404 |
15.8337 |
15.5312 |
22.2690 |
20.4277 |
15.5832 |
20.2761 |
20.2711 |
15.5935 |
15.5574 |
15.6185 |
22.9687 |
22.2121 |
17.1393 |
| 1 | 0.2201 |
0.0000 |
0.0221 |
21.3165 |
16.1804 |
15.4517 |
21.9694 |
20.4306 |
15.9450 |
15.4489 |
21.9336 |
20.4574 |
15.5265 |
20.5319 |
20.5243 |
15.5793 |
15.4765 |
15.5638 |
22.9085 |
21.8509 |
17.8687 |
| 2 | 0.2232 |
0.0221 |
0.0000 |
21.2625 |
16.2052 |
15.4496 |
21.7621 |
20.4874 |
15.9662 |
15.4767 |
21.9806 |
20.5131 |
15.5248 |
20.5222 |
20.5146 |
15.6063 |
15.5045 |
15.5620 |
22.9342 |
21.8569 |
17.7673 |
| 3 | 21.3647 |
21.3165 |
21.2625 |
0.0000 |
23.5433 |
25.5490 |
22.5571 |
25.4773 |
23.8519 |
23.8950 |
22.6814 |
25.5489 |
25.8579 |
25.8087 |
25.7883 |
23.8250 |
23.8857 |
25.9225 |
10.3682 |
22.4197 |
21.1120 |
| 4 | 15.6821 |
16.1804 |
16.2052 |
23.5433 |
0.0000 |
15.5127 |
24.1853 |
19.9006 |
0.0652 |
0.2412 |
23.9019 |
19.9131 |
15.5319 |
20.1861 |
20.2164 |
0.1649 |
0.2339 |
15.5653 |
20.4257 |
21.5408 |
25.3156 |
| 5 | 15.6005 |
15.4517 |
15.4496 |
25.5490 |
15.5127 |
0.0000 |
13.0282 |
11.8265 |
18.0092 |
17.7534 |
12.7256 |
11.8379 |
0.1726 |
11.9989 |
11.9954 |
17.9899 |
17.7879 |
0.1799 |
20.2758 |
22.4953 |
20.6910 |
| 6 | 22.3543 |
21.9694 |
21.7621 |
22.5571 |
24.1853 |
13.0282 |
0.0000 |
23.9197 |
23.0485 |
23.1476 |
0.1103 |
23.8418 |
15.2827 |
24.0072 |
24.0062 |
23.1125 |
23.1592 |
15.3192 |
23.5913 |
24.7360 |
25.3102 |
| 7 | 20.3404 |
20.4306 |
20.4874 |
25.4773 |
19.9006 |
11.8265 |
23.9197 |
0.0000 |
18.2922 |
17.9516 |
25.3709 |
0.0370 |
11.8362 |
0.1566 |
0.1540 |
18.0025 |
17.9646 |
11.8646 |
24.1719 |
23.6821 |
17.7820 |
| 8 | 15.8337 |
15.9450 |
15.9662 |
23.8519 |
0.0652 |
18.0092 |
23.0485 |
18.2922 |
0.0000 |
0.2429 |
24.1254 |
20.0422 |
15.2574 |
20.3145 |
20.3457 |
0.1660 |
0.2365 |
15.2917 |
20.7447 |
21.5928 |
25.4297 |
| 9 | 15.5312 |
15.4489 |
15.4767 |
23.8950 |
0.2412 |
17.7534 |
23.1476 |
17.9516 |
0.2429 |
0.0000 |
24.4938 |
19.3433 |
15.5341 |
19.8918 |
19.9240 |
0.0748 |
0.0087 |
15.5657 |
21.1191 |
21.5763 |
24.9682 |
| 10 | 22.2690 |
21.9336 |
21.9806 |
22.6814 |
23.9019 |
12.7256 |
0.1103 |
25.3709 |
24.1254 |
24.4938 |
0.0000 |
24.3457 |
15.7324 |
24.2708 |
24.2697 |
22.9268 |
23.0041 |
15.7722 |
23.1987 |
25.0172 |
25.4105 |
| 11 | 20.4277 |
20.4574 |
20.5131 |
25.5489 |
19.9131 |
11.8379 |
23.8418 |
0.0370 |
20.0422 |
19.3433 |
24.3457 |
0.0000 |
11.8558 |
0.1801 |
0.1763 |
18.0312 |
17.9938 |
11.8847 |
24.2310 |
23.7349 |
17.8542 |
| 12 | 15.5832 |
15.5265 |
15.5248 |
25.8579 |
15.5319 |
0.1726 |
15.2827 |
11.8362 |
15.2574 |
15.5341 |
15.7324 |
11.8558 |
0.0000 |
11.8741 |
11.8711 |
17.9170 |
17.8631 |
0.0112 |
20.9048 |
22.5988 |
20.4223 |
| 13 | 20.2761 |
20.5319 |
20.5222 |
25.8087 |
20.1861 |
11.9989 |
24.0072 |
0.1566 |
20.3145 |
19.8918 |
24.2708 |
0.1801 |
11.8741 |
0.0000 |
0.0135 |
18.1510 |
18.1085 |
11.9292 |
24.2851 |
23.7840 |
17.8045 |
| 14 | 20.2711 |
20.5243 |
20.5146 |
25.7883 |
20.2164 |
11.9954 |
24.0062 |
0.1540 |
20.3457 |
19.9240 |
24.2697 |
0.1763 |
11.8711 |
0.0135 |
0.0000 |
18.1798 |
18.1364 |
11.9270 |
24.2787 |
23.7837 |
17.7956 |
| 15 | 15.5935 |
15.5793 |
15.6063 |
23.8250 |
0.1649 |
17.9899 |
23.1125 |
18.0025 |
0.1660 |
0.0748 |
22.9268 |
18.0312 |
17.9170 |
18.1510 |
18.1798 |
0.0000 |
0.0686 |
15.5324 |
21.0035 |
21.5514 |
25.0894 |
| 16 | 15.5574 |
15.4765 |
15.5045 |
23.8857 |
0.2339 |
17.7879 |
23.1592 |
17.9646 |
0.2365 |
0.0087 |
23.0041 |
17.9938 |
17.8631 |
18.1085 |
18.1364 |
0.0686 |
0.0000 |
15.5759 |
21.0916 |
21.6002 |
24.9976 |
| 17 | 15.6185 |
15.5638 |
15.5620 |
25.9225 |
15.5653 |
0.1799 |
15.3192 |
11.8646 |
15.2917 |
15.5657 |
15.7722 |
11.8847 |
0.0112 |
11.9292 |
11.9270 |
15.5324 |
15.5759 |
0.0000 |
20.9326 |
22.6545 |
20.4481 |
| 18 | 22.9687 |
22.9085 |
22.9342 |
10.3682 |
20.4257 |
20.2758 |
23.5913 |
24.1719 |
20.7447 |
21.1191 |
23.1987 |
24.2310 |
20.9048 |
24.2851 |
24.2787 |
21.0035 |
21.0916 |
20.9326 |
0.0000 |
19.5126 |
22.6899 |
| 19 | 22.2121 |
21.8509 |
21.8569 |
22.4197 |
21.5408 |
22.4953 |
24.7360 |
23.6821 |
21.5928 |
21.5763 |
25.0172 |
23.7349 |
22.5988 |
23.7840 |
23.7837 |
21.5514 |
21.6002 |
22.6545 |
19.5126 |
0.0000 |
23.7781 |
| 20 | 17.1393 |
17.8687 |
17.7673 |
21.1120 |
25.3156 |
20.6910 |
25.3102 |
17.7820 |
25.4297 |
24.9682 |
25.4105 |
17.8542 |
20.4223 |
17.8045 |
17.7956 |
25.0894 |
24.9976 |
20.4481 |
22.6899 |
23.7781 |
0.0000 |