# Details of computing
1: DEMCOO.cif
2: LELVIJ.cif
3: LELVIJ01.cif
4: LELWAC.cif
5: LELWEG.cif
6: LELWEG01.cif
7: SULDAZ.cif
8: SULDAZ01.cif
9: SULDAZ02.cif
10: SULDAZ03.cif
11: SULDAZ05.cif
12: SULDAZ06.cif
13: SULDAZ07.cif
14: TEZHEN.cif
15: TEZHIR.cif
16: TICREE.cif
17: TICRII.cif
18: TICROO.cif
19: TICRUU.cif
20: TICSAB.cif
21: YONJOC.cif
22: YONJUI.cif
23: YONKAP.cif
24: YONKIX.cif
25: YONKOD.cif
26: YONKUJ.cif
27: YONLAQ.cif
-------------------------------------
| 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 | 22 | 23 | 24 | 25 | 26 | 27 |
1 | 0.0000 |
44.4991 |
44.4666 |
51.6666 |
51.1368 |
51.1382 |
40.4008 |
39.8882 |
39.5957 |
37.7439 |
37.7441 |
37.7571 |
39.2528 |
39.0933 |
50.2013 |
41.5872 |
40.0727 |
40.2097 |
44.2912 |
38.4339 |
44.8823 |
51.9082 |
49.3534 |
46.9695 |
43.3854 |
45.5691 |
48.7263 |
2 | 44.4991 |
0.0000 |
0.0065 |
46.0250 |
45.9437 |
45.9645 |
52.2445 |
51.9725 |
51.8478 |
53.0213 |
53.0324 |
53.0523 |
52.0527 |
50.7783 |
52.6742 |
51.5301 |
50.7491 |
50.2138 |
47.1832 |
41.8026 |
43.2989 |
46.2820 |
47.7572 |
52.4737 |
50.1924 |
49.8632 |
54.4195 |
3 | 44.4666 |
0.0065 |
0.0000 |
46.0238 |
45.9433 |
45.9641 |
52.2604 |
51.9887 |
51.8639 |
53.0195 |
53.0306 |
53.0504 |
52.0694 |
50.7936 |
52.6819 |
51.5367 |
50.7443 |
50.2122 |
47.1993 |
41.7992 |
43.3130 |
46.2815 |
47.7655 |
52.4896 |
50.2044 |
49.8695 |
54.4325 |
4 | 51.6666 |
46.0250 |
46.0238 |
0.0000 |
0.0937 |
0.0946 |
29.9022 |
30.2346 |
30.8228 |
27.1461 |
27.0508 |
27.0454 |
31.4090 |
47.7085 |
52.8052 |
50.9819 |
22.3301 |
24.3208 |
51.2801 |
50.8419 |
14.3456 |
0.1372 |
6.0847 |
19.9721 |
41.3498 |
29.6424 |
11.8648 |
5 | 51.1368 |
45.9437 |
45.9433 |
0.0937 |
0.0000 |
0.0030 |
29.4161 |
29.7574 |
30.2677 |
26.6193 |
26.5199 |
26.5150 |
30.9772 |
48.1065 |
53.0014 |
49.7860 |
21.2896 |
23.1696 |
51.0062 |
50.3156 |
13.2379 |
0.1557 |
5.5670 |
19.4988 |
40.9410 |
29.7005 |
11.3698 |
6 | 51.1382 |
45.9645 |
45.9641 |
0.0946 |
0.0030 |
0.0000 |
29.4230 |
29.7642 |
30.2745 |
26.6252 |
26.5257 |
26.5208 |
30.9838 |
48.1015 |
53.0107 |
49.8119 |
21.2875 |
23.1693 |
51.0211 |
50.3152 |
13.2394 |
0.1573 |
5.5688 |
19.5078 |
40.9564 |
29.6967 |
11.3641 |
7 | 40.4008 |
52.2445 |
52.2604 |
29.9022 |
29.4161 |
29.4230 |
0.0000 |
0.1175 |
0.2135 |
0.6304 |
0.6039 |
0.6115 |
0.4472 |
49.2945 |
45.7274 |
53.2727 |
11.8968 |
11.6009 |
52.5602 |
50.8163 |
10.3009 |
15.9597 |
6.1489 |
19.7881 |
32.1555 |
49.8194 |
9.9176 |
8 | 39.8882 |
51.9725 |
51.9887 |
30.2346 |
29.7574 |
29.7642 |
0.1175 |
0.0000 |
0.0989 |
0.4695 |
0.4455 |
0.4517 |
0.3100 |
49.8547 |
45.2956 |
53.1894 |
11.6962 |
11.4800 |
52.9570 |
50.7396 |
11.2280 |
17.3946 |
6.6902 |
20.3620 |
32.0505 |
50.1807 |
9.8099 |
9 | 39.5957 |
51.8478 |
51.8639 |
30.8228 |
30.2677 |
30.2745 |
0.2135 |
0.0989 |
0.0000 |
0.3579 |
0.3365 |
0.3424 |
0.2158 |
49.5126 |
45.1559 |
52.9641 |
11.7737 |
11.5830 |
52.9978 |
50.5577 |
11.3424 |
18.0592 |
7.2284 |
21.0963 |
32.0126 |
50.2350 |
9.8247 |
10 | 37.7439 |
53.0213 |
53.0195 |
27.1461 |
26.6193 |
26.6252 |
0.6304 |
0.4695 |
0.3579 |
0.0000 |
0.0215 |
0.0184 |
0.1010 |
49.6757 |
44.5630 |
52.6833 |
11.4806 |
11.5256 |
54.4053 |
51.0684 |
12.9819 |
18.1390 |
8.5647 |
22.1169 |
33.1766 |
50.7225 |
9.2544 |
11 | 37.7441 |
53.0324 |
53.0306 |
27.0508 |
26.5199 |
26.5257 |
0.6039 |
0.4455 |
0.3365 |
0.0215 |
0.0000 |
0.0054 |
0.0821 |
49.6574 |
44.6687 |
52.7796 |
11.4797 |
11.5138 |
54.4196 |
51.1400 |
12.8968 |
18.0990 |
8.4449 |
22.0150 |
33.2093 |
51.0334 |
9.2896 |
12 | 37.7571 |
53.0523 |
53.0504 |
27.0454 |
26.5150 |
26.5208 |
0.6115 |
0.4517 |
0.3424 |
0.0184 |
0.0054 |
0.0000 |
0.0865 |
49.6455 |
44.6709 |
52.7859 |
11.4760 |
11.5133 |
54.4311 |
51.1325 |
12.9590 |
18.0913 |
8.4763 |
22.0316 |
33.2480 |
51.0503 |
9.3029 |
13 | 39.2528 |
52.0527 |
52.0694 |
31.4090 |
30.9772 |
30.9838 |
0.4472 |
0.3100 |
0.2158 |
0.1010 |
0.0821 |
0.0865 |
0.0000 |
49.6014 |
44.6604 |
52.8165 |
11.5632 |
11.5084 |
53.9767 |
51.0174 |
12.6190 |
18.1359 |
7.9399 |
21.8529 |
32.8218 |
50.7981 |
9.6007 |
14 | 39.0933 |
50.7783 |
50.7936 |
47.7085 |
48.1065 |
48.1015 |
49.2945 |
49.8547 |
49.5126 |
49.6757 |
49.6574 |
49.6455 |
49.6014 |
0.0000 |
52.4435 |
50.8754 |
49.5862 |
49.6983 |
39.1567 |
44.0543 |
36.6615 |
50.5497 |
41.3795 |
41.2612 |
49.4577 |
35.7777 |
42.6102 |
15 | 50.2013 |
52.6742 |
52.6819 |
52.8052 |
53.0014 |
53.0107 |
45.7274 |
45.2956 |
45.1559 |
44.5630 |
44.6687 |
44.6709 |
44.6604 |
52.4435 |
0.0000 |
32.6506 |
54.8568 |
53.9784 |
46.1769 |
49.5433 |
51.7607 |
51.5123 |
52.8001 |
48.0665 |
42.8034 |
43.6638 |
50.8584 |
16 | 41.5872 |
51.5301 |
51.5367 |
50.9819 |
49.7860 |
49.8119 |
53.2727 |
53.1894 |
52.9641 |
52.6833 |
52.7796 |
52.7859 |
52.8165 |
50.8754 |
32.6506 |
0.0000 |
50.9914 |
48.7735 |
39.8217 |
47.2670 |
50.3847 |
48.4518 |
52.1875 |
50.0240 |
37.0967 |
46.9103 |
53.0680 |
17 | 40.0727 |
50.7491 |
50.7443 |
22.3301 |
21.2896 |
21.2875 |
11.8968 |
11.6962 |
11.7737 |
11.4806 |
11.4797 |
11.4760 |
11.5632 |
49.5862 |
54.8568 |
50.9914 |
0.0000 |
0.3748 |
46.5596 |
55.8181 |
16.1257 |
25.5423 |
19.3272 |
29.5666 |
31.1423 |
46.5341 |
25.3038 |
18 | 40.2097 |
50.2138 |
50.2122 |
24.3208 |
23.1696 |
23.1693 |
11.6009 |
11.4800 |
11.5830 |
11.5256 |
11.5138 |
11.5133 |
11.5084 |
49.6983 |
53.9784 |
48.7735 |
0.3748 |
0.0000 |
46.7353 |
56.3207 |
15.5731 |
27.3433 |
19.2263 |
29.1318 |
28.8824 |
45.0852 |
25.7003 |
19 | 44.2912 |
47.1832 |
47.1993 |
51.2801 |
51.0062 |
51.0211 |
52.5602 |
52.9570 |
52.9978 |
54.4053 |
54.4196 |
54.4311 |
53.9767 |
39.1567 |
46.1769 |
39.8217 |
46.5596 |
46.7353 |
0.0000 |
42.5984 |
47.7012 |
52.8312 |
52.7294 |
51.5368 |
44.8046 |
48.3919 |
52.3179 |
20 | 38.4339 |
41.8026 |
41.7992 |
50.8419 |
50.3156 |
50.3152 |
50.8163 |
50.7396 |
50.5577 |
51.0684 |
51.1400 |
51.1325 |
51.0174 |
44.0543 |
49.5433 |
47.2670 |
55.8181 |
56.3207 |
42.5984 |
0.0000 |
46.3564 |
54.1437 |
50.7683 |
45.7366 |
48.2134 |
39.8627 |
52.8265 |
21 | 44.8823 |
43.2989 |
43.3130 |
14.3456 |
13.2379 |
13.2394 |
10.3009 |
11.2280 |
11.3424 |
12.9819 |
12.8968 |
12.9590 |
12.6190 |
36.6615 |
51.7607 |
50.3847 |
16.1257 |
15.5731 |
47.7012 |
46.3564 |
0.0000 |
10.3057 |
2.9748 |
16.2759 |
27.5056 |
36.5427 |
13.1711 |
22 | 51.9082 |
46.2820 |
46.2815 |
0.1372 |
0.1557 |
0.1573 |
15.9597 |
17.3946 |
18.0592 |
18.1390 |
18.0990 |
18.0913 |
18.1359 |
50.5497 |
51.5123 |
48.4518 |
25.5423 |
27.3433 |
52.8312 |
54.1437 |
10.3057 |
0.0000 |
5.7864 |
19.4485 |
41.3454 |
28.3576 |
11.6054 |
23 | 49.3534 |
47.7572 |
47.7655 |
6.0847 |
5.5670 |
5.5688 |
6.1489 |
6.6902 |
7.2284 |
8.5647 |
8.4449 |
8.4763 |
7.9399 |
41.3795 |
52.8001 |
52.1875 |
19.3272 |
19.2263 |
52.7294 |
50.7683 |
2.9748 |
5.7864 |
0.0000 |
12.3418 |
28.4937 |
34.3862 |
9.8098 |
24 | 46.9695 |
52.4737 |
52.4896 |
19.9721 |
19.4988 |
19.5078 |
19.7881 |
20.3620 |
21.0963 |
22.1169 |
22.0150 |
22.0316 |
21.8529 |
41.2612 |
48.0665 |
50.0240 |
29.5666 |
29.1318 |
51.5368 |
45.7366 |
16.2759 |
19.4485 |
12.3418 |
0.0000 |
22.3764 |
28.0099 |
11.6022 |
25 | 43.3854 |
50.1924 |
50.2044 |
41.3498 |
40.9410 |
40.9564 |
32.1555 |
32.0505 |
32.0126 |
33.1766 |
33.2093 |
33.2480 |
32.8218 |
49.4577 |
42.8034 |
37.0967 |
31.1423 |
28.8824 |
44.8046 |
48.2134 |
27.5056 |
41.3454 |
28.4937 |
22.3764 |
0.0000 |
36.3891 |
14.4442 |
26 | 45.5691 |
49.8632 |
49.8695 |
29.6424 |
29.7005 |
29.6967 |
49.8194 |
50.1807 |
50.2350 |
50.7225 |
51.0334 |
51.0503 |
50.7981 |
35.7777 |
43.6638 |
46.9103 |
46.5341 |
45.0852 |
48.3919 |
39.8627 |
36.5427 |
28.3576 |
34.3862 |
28.0099 |
36.3891 |
0.0000 |
37.6082 |
27 | 48.7263 |
54.4195 |
54.4325 |
11.8648 |
11.3698 |
11.3641 |
9.9176 |
9.8099 |
9.8247 |
9.2544 |
9.2896 |
9.3029 |
9.6007 |
42.6102 |
50.8584 |
53.0680 |
25.3038 |
25.7003 |
52.3179 |
52.8265 |
13.1711 |
11.6054 |
9.8098 |
11.6022 |
14.4442 |
37.6082 |
0.0000 |