# Details of computing
0: ATOMEC.cif
1: DINLAN02.cif
2: DINYAA10.cif
3: EPHDHP.cif
4: EPHDHP01.cif
5: EPHECL.cif
6: EPHECL01.cif
7: EPHECL02.cif
8: EPHEDH02.cif
9: EPHEDH03.cif
10: EPHEDH04.cif
11: EPHEDP.cif
12: EPHEDR01.cif
13: GEHJAF.cif
14: GEHJEJ.cif
15: GEHJUZ.cif
16: GEHKAG.cif
17: GEHKEK.cif
18: GEHKIO.cif
19: GEHKOU.cif
20: GEHKUA.cif
21: GEHLAH.cif
22: GEHLEL.cif
23: GEHLIP.cif
24: GEJMOY.cif
25: INEDIP.cif
26: INEDOV.cif
27: NAHVUN.cif
28: PEPHCL.cif
29: PODYEM.cif
30: PSEPED.cif
31: PSEPED01.cif
32: WEMGEC.cif
-------------------------------------
| | 0 | 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 | 28 | 29 | 30 | 31 | 32 |
| 0 | 0.0000 |
15.4655 |
38.5957 |
6.0022 |
6.0078 |
32.2999 |
31.9993 |
31.9409 |
27.3619 |
23.4396 |
28.0829 |
19.5725 |
18.3626 |
21.5917 |
16.7514 |
20.6026 |
30.9315 |
25.4969 |
27.3578 |
9.2262 |
6.4665 |
19.4591 |
27.9345 |
14.3592 |
32.2619 |
30.3346 |
30.5990 |
37.3538 |
13.3299 |
28.6564 |
32.6111 |
32.7103 |
19.8196 |
| 1 | 15.4655 |
0.0000 |
35.7053 |
18.9623 |
19.1006 |
22.7056 |
24.4961 |
24.6083 |
23.0635 |
20.6861 |
22.6753 |
12.4845 |
10.1853 |
24.2119 |
28.3808 |
21.4730 |
29.1001 |
28.4480 |
32.9286 |
20.1397 |
20.4844 |
14.6242 |
24.2472 |
5.8534 |
29.5439 |
23.1378 |
29.5128 |
35.0869 |
15.8898 |
22.3019 |
34.1724 |
34.2684 |
19.1209 |
| 2 | 38.5957 |
35.7053 |
0.0000 |
37.2564 |
36.8665 |
31.6470 |
31.8912 |
31.9026 |
26.8182 |
26.9699 |
26.9101 |
30.9541 |
29.7262 |
36.6621 |
38.1403 |
33.0590 |
34.3204 |
33.0985 |
31.8011 |
37.8615 |
38.4703 |
33.3210 |
35.5197 |
32.2312 |
31.8904 |
38.2090 |
33.2276 |
36.2153 |
36.2701 |
33.8630 |
28.2218 |
28.2411 |
36.6117 |
| 3 | 6.0022 |
18.9623 |
37.2564 |
0.0000 |
0.0761 |
27.2236 |
26.9744 |
26.9379 |
22.9989 |
20.2307 |
24.3568 |
18.1079 |
16.4146 |
21.1715 |
13.2874 |
25.6565 |
26.6892 |
23.2121 |
27.0365 |
0.8206 |
1.1786 |
23.2106 |
29.8980 |
14.7335 |
33.2106 |
31.3839 |
25.3885 |
39.0186 |
19.1583 |
28.8558 |
37.0265 |
37.1448 |
20.8439 |
| 4 | 6.0078 |
19.1006 |
36.8665 |
0.0761 |
0.0000 |
27.3821 |
27.1382 |
27.1009 |
23.2944 |
20.4385 |
24.7264 |
18.1650 |
16.4146 |
20.9440 |
13.2112 |
26.7157 |
26.4910 |
23.6319 |
26.7621 |
0.8218 |
1.1444 |
23.3927 |
30.1645 |
14.7769 |
33.1109 |
31.4542 |
25.6194 |
38.8019 |
19.7687 |
29.4304 |
37.0779 |
37.1962 |
20.9077 |
| 5 | 32.2999 |
22.7056 |
31.6470 |
27.2236 |
27.3821 |
0.0000 |
0.1030 |
0.1062 |
27.2157 |
28.2712 |
27.7556 |
23.8562 |
25.8544 |
27.6301 |
11.3718 |
31.8352 |
30.8905 |
11.8509 |
34.9062 |
27.2471 |
32.1412 |
23.9577 |
22.4453 |
14.9560 |
19.0155 |
31.8414 |
7.6132 |
36.2905 |
19.2500 |
4.8158 |
39.7151 |
39.7419 |
13.2201 |
| 6 | 31.9993 |
24.4961 |
31.8912 |
26.9744 |
27.1382 |
0.1030 |
0.0000 |
0.0755 |
27.0200 |
28.2300 |
27.6903 |
23.6932 |
28.4972 |
27.1436 |
11.1778 |
34.8966 |
30.8371 |
11.7530 |
36.3028 |
27.0816 |
32.1372 |
23.8889 |
22.8721 |
17.6116 |
19.4996 |
31.7584 |
7.4455 |
35.2067 |
19.4154 |
4.6559 |
39.6847 |
40.0299 |
12.7828 |
| 7 | 31.9409 |
24.6083 |
31.9026 |
26.9379 |
27.1009 |
0.1062 |
0.0755 |
0.0000 |
26.9299 |
27.9869 |
27.1859 |
23.7744 |
28.8767 |
27.3061 |
11.2510 |
35.4741 |
30.6766 |
12.0905 |
36.6716 |
27.5468 |
32.1307 |
24.5311 |
23.6892 |
18.1656 |
19.4587 |
32.1208 |
7.7283 |
34.9755 |
19.4722 |
4.9263 |
39.4752 |
39.6840 |
13.3352 |
| 8 | 27.3619 |
23.0635 |
26.8182 |
22.9989 |
23.2944 |
27.2157 |
27.0200 |
26.9299 |
0.0000 |
0.5066 |
0.5100 |
4.3545 |
22.4491 |
28.2943 |
32.5071 |
34.3267 |
30.0148 |
30.3337 |
32.6254 |
25.8928 |
28.4133 |
29.6875 |
32.7026 |
19.7383 |
35.9475 |
32.5841 |
31.8464 |
31.3540 |
31.5072 |
24.8553 |
36.1884 |
36.1941 |
24.2668 |
| 9 | 23.4396 |
20.6861 |
26.9699 |
20.2307 |
20.4385 |
28.2712 |
28.2300 |
27.9869 |
0.5066 |
0.0000 |
0.4505 |
4.5934 |
18.2540 |
26.1252 |
27.3447 |
30.3752 |
30.2489 |
29.4571 |
30.5151 |
21.9110 |
24.4516 |
26.6339 |
31.8573 |
14.6774 |
34.5381 |
30.1679 |
30.4500 |
31.6129 |
30.7874 |
25.0161 |
36.0579 |
36.0452 |
22.1954 |
| 10 | 28.0829 |
22.6753 |
26.9101 |
24.3568 |
24.7264 |
27.7556 |
27.6903 |
27.1859 |
0.5100 |
0.4505 |
0.0000 |
4.4956 |
23.1019 |
28.3113 |
32.9847 |
35.7350 |
30.1944 |
30.6553 |
32.7074 |
26.3536 |
28.8428 |
30.2539 |
33.7678 |
20.6969 |
36.6083 |
32.7752 |
32.0377 |
31.6272 |
31.3968 |
24.6425 |
36.3771 |
36.3555 |
24.6585 |
| 11 | 19.5725 |
12.4845 |
30.9541 |
18.1079 |
18.1650 |
23.8562 |
23.6932 |
23.7744 |
4.3545 |
4.5934 |
4.4956 |
0.0000 |
6.3004 |
22.2841 |
26.2466 |
30.7737 |
32.2206 |
22.6570 |
29.5706 |
17.8808 |
19.3822 |
16.1318 |
28.1564 |
5.6239 |
32.6585 |
26.9145 |
27.7496 |
32.9701 |
22.6377 |
19.1313 |
36.0024 |
35.9213 |
17.6729 |
| 12 | 18.3626 |
10.1853 |
29.7262 |
16.4146 |
16.4146 |
25.8544 |
28.4972 |
28.8767 |
22.4491 |
18.2540 |
23.1019 |
6.3004 |
0.0000 |
21.4645 |
25.0075 |
31.1734 |
31.4032 |
29.6153 |
31.5515 |
19.6014 |
22.1438 |
17.4073 |
28.2757 |
4.5200 |
34.0154 |
31.5915 |
33.1553 |
37.3913 |
25.6211 |
29.9476 |
34.7256 |
34.7550 |
18.8988 |
| 13 | 21.5917 |
24.2119 |
36.6621 |
21.1715 |
20.9440 |
27.6301 |
27.1436 |
27.3061 |
28.2943 |
26.1252 |
28.3113 |
22.2841 |
21.4645 |
0.0000 |
33.4664 |
27.1994 |
27.6802 |
22.1980 |
22.5499 |
27.7878 |
25.9909 |
28.6938 |
30.9237 |
25.9823 |
30.6434 |
35.6998 |
31.6575 |
32.9353 |
21.5401 |
29.9016 |
34.2017 |
34.1095 |
26.3610 |
| 14 | 16.7514 |
28.3808 |
38.1403 |
13.2874 |
13.2112 |
11.3718 |
11.1778 |
11.2510 |
32.5071 |
27.3447 |
32.9847 |
26.2466 |
25.0075 |
33.4664 |
0.0000 |
31.7925 |
32.0407 |
23.8990 |
33.2413 |
23.6658 |
26.9594 |
32.8504 |
34.2373 |
30.4590 |
27.0710 |
19.6588 |
20.0524 |
39.9948 |
28.7816 |
31.8002 |
38.0890 |
38.1824 |
33.1557 |
| 15 | 20.6026 |
21.4730 |
33.0590 |
25.6565 |
26.7157 |
31.8352 |
34.8966 |
35.4741 |
34.3267 |
30.3752 |
35.7350 |
30.7737 |
31.1734 |
27.1994 |
31.7925 |
0.0000 |
35.5645 |
31.6452 |
23.8652 |
22.9889 |
21.6236 |
26.8582 |
27.6800 |
28.5973 |
33.0200 |
29.3767 |
30.7555 |
34.1630 |
16.8984 |
32.8960 |
37.5378 |
37.6080 |
26.6416 |
| 16 | 30.9315 |
29.1001 |
34.3204 |
26.6892 |
26.4910 |
30.8905 |
30.8371 |
30.6766 |
30.0148 |
30.2489 |
30.1944 |
32.2206 |
31.4032 |
27.6802 |
32.0407 |
35.5645 |
0.0000 |
32.5061 |
31.7744 |
29.4325 |
33.2550 |
35.3305 |
38.1478 |
29.6188 |
34.0300 |
30.3357 |
31.1167 |
30.4182 |
33.8193 |
34.3852 |
33.1901 |
33.2074 |
35.1355 |
| 17 | 25.4969 |
28.4480 |
33.0985 |
23.2121 |
23.6319 |
11.8509 |
11.7530 |
12.0905 |
30.3337 |
29.4571 |
30.6553 |
22.6570 |
29.6153 |
22.1980 |
23.8990 |
31.6452 |
32.5061 |
0.0000 |
35.1466 |
26.6181 |
30.4428 |
19.3928 |
21.6417 |
23.2020 |
20.8314 |
29.5368 |
16.3370 |
36.1491 |
21.4493 |
11.6088 |
36.5868 |
36.6343 |
15.1526 |
| 18 | 27.3578 |
32.9286 |
31.8011 |
27.0365 |
26.7621 |
34.9062 |
36.3028 |
36.6716 |
32.6254 |
30.5151 |
32.7074 |
29.5706 |
31.5515 |
22.5499 |
33.2413 |
23.8652 |
31.7744 |
35.1466 |
0.0000 |
25.9726 |
24.5441 |
34.8328 |
36.9990 |
31.8068 |
36.6757 |
30.1506 |
32.8220 |
37.0431 |
27.0062 |
34.0349 |
33.8322 |
33.9210 |
31.1726 |
| 19 | 9.2262 |
20.1397 |
37.8615 |
0.8206 |
0.8218 |
27.2471 |
27.0816 |
27.5468 |
25.8928 |
21.9110 |
26.3536 |
17.8808 |
19.6014 |
27.7878 |
23.6658 |
22.9889 |
29.4325 |
26.6181 |
25.9726 |
0.0000 |
2.6923 |
24.4211 |
31.1331 |
15.2510 |
35.5695 |
31.0936 |
25.3337 |
40.0842 |
18.3406 |
32.5774 |
37.4435 |
37.4349 |
20.3507 |
| 20 | 6.4665 |
20.4844 |
38.4703 |
1.1786 |
1.1444 |
32.1412 |
32.1372 |
32.1307 |
28.4133 |
24.4516 |
28.8428 |
19.3822 |
22.1438 |
25.9909 |
26.9594 |
21.6236 |
33.2550 |
30.4428 |
24.5441 |
2.6923 |
0.0000 |
22.6324 |
30.7521 |
14.9437 |
34.0667 |
31.2924 |
26.5142 |
38.6476 |
18.2414 |
29.0234 |
37.6367 |
37.7567 |
17.6722 |
| 21 | 19.4591 |
14.6242 |
33.3210 |
23.2106 |
23.3927 |
23.9577 |
23.8889 |
24.5311 |
29.6875 |
26.6339 |
30.2539 |
16.1318 |
17.4073 |
28.6938 |
32.8504 |
26.8582 |
35.3305 |
19.3928 |
34.8328 |
24.4211 |
22.6324 |
0.0000 |
2.2431 |
8.0724 |
33.2165 |
22.5130 |
24.9089 |
34.0479 |
12.2847 |
14.9980 |
38.5878 |
38.5582 |
9.0650 |
| 22 | 27.9345 |
24.2472 |
35.5197 |
29.8980 |
30.1645 |
22.4453 |
22.8721 |
23.6892 |
32.7026 |
31.8573 |
33.7678 |
28.1564 |
28.2757 |
30.9237 |
34.2373 |
27.6800 |
38.1478 |
21.6417 |
36.9990 |
31.1331 |
30.7521 |
2.2431 |
0.0000 |
16.9971 |
29.1493 |
25.1476 |
18.3270 |
33.5855 |
17.5552 |
10.3558 |
41.4651 |
41.4510 |
6.3782 |
| 23 | 14.3592 |
5.8534 |
32.2312 |
14.7335 |
14.7769 |
14.9560 |
17.6116 |
18.1656 |
19.7383 |
14.6774 |
20.6969 |
5.6239 |
4.5200 |
25.9823 |
30.4590 |
28.5973 |
29.6188 |
23.2020 |
31.8068 |
15.2510 |
14.9437 |
8.0724 |
16.9971 |
0.0000 |
31.8756 |
22.2230 |
21.9035 |
35.8788 |
16.2571 |
15.5067 |
35.3744 |
35.3710 |
16.8594 |
| 24 | 32.2619 |
29.5439 |
31.8904 |
33.2106 |
33.1109 |
19.0155 |
19.4996 |
19.4587 |
35.9475 |
34.5381 |
36.6083 |
32.6585 |
34.0154 |
30.6434 |
27.0710 |
33.0200 |
34.0300 |
20.8314 |
36.6757 |
35.5695 |
34.0667 |
33.2165 |
29.1493 |
31.8756 |
0.0000 |
30.6031 |
20.3598 |
35.8759 |
27.4021 |
23.3787 |
33.3461 |
33.4320 |
21.7782 |
| 25 | 30.3346 |
23.1378 |
38.2090 |
31.3839 |
31.4542 |
31.8414 |
31.7584 |
32.1208 |
32.5841 |
30.1679 |
32.7752 |
26.9145 |
31.5915 |
35.6998 |
19.6588 |
29.3767 |
30.3357 |
29.5368 |
30.1506 |
31.0936 |
31.2924 |
22.5130 |
25.1476 |
22.2230 |
30.6031 |
0.0000 |
36.6671 |
34.9875 |
32.8793 |
38.2345 |
33.5443 |
33.4831 |
32.8196 |
| 26 | 30.5990 |
29.5128 |
33.2276 |
25.3885 |
25.6194 |
7.6132 |
7.4455 |
7.7283 |
31.8464 |
30.4500 |
32.0377 |
27.7496 |
33.1553 |
31.6575 |
20.0524 |
30.7555 |
31.1167 |
16.3370 |
32.8220 |
25.3337 |
26.5142 |
24.9089 |
18.3270 |
21.9035 |
20.3598 |
36.6671 |
0.0000 |
37.3628 |
22.5926 |
17.5280 |
34.6446 |
34.6845 |
17.1426 |
| 27 | 37.3538 |
35.0869 |
36.2153 |
39.0186 |
38.8019 |
36.2905 |
35.2067 |
34.9755 |
31.3540 |
31.6129 |
31.6272 |
32.9701 |
37.3913 |
32.9353 |
39.9948 |
34.1630 |
30.4182 |
36.1491 |
37.0431 |
40.0842 |
38.6476 |
34.0479 |
33.5855 |
35.8788 |
35.8759 |
34.9875 |
37.3628 |
0.0000 |
36.4944 |
34.5910 |
30.8717 |
31.0762 |
35.5023 |
| 28 | 13.3299 |
15.8898 |
36.2701 |
19.1583 |
19.7687 |
19.2500 |
19.4154 |
19.4722 |
31.5072 |
30.7874 |
31.3968 |
22.6377 |
25.6211 |
21.5401 |
28.7816 |
16.8984 |
33.8193 |
21.4493 |
27.0062 |
18.3406 |
18.2414 |
12.2847 |
17.5552 |
16.2571 |
27.4021 |
32.8793 |
22.5926 |
36.4944 |
0.0000 |
16.3893 |
35.6555 |
35.5979 |
13.1240 |
| 29 | 28.6564 |
22.3019 |
33.8630 |
28.8558 |
29.4304 |
4.8158 |
4.6559 |
4.9263 |
24.8553 |
25.0161 |
24.6425 |
19.1313 |
29.9476 |
29.9016 |
31.8002 |
32.8960 |
34.3852 |
11.6088 |
34.0349 |
32.5774 |
29.0234 |
14.9980 |
10.3558 |
15.5067 |
23.3787 |
38.2345 |
17.5280 |
34.5910 |
16.3893 |
0.0000 |
40.2316 |
40.1178 |
9.4529 |
| 30 | 32.6111 |
34.1724 |
28.2218 |
37.0265 |
37.0779 |
39.7151 |
39.6847 |
39.4752 |
36.1884 |
36.0579 |
36.3771 |
36.0024 |
34.7256 |
34.2017 |
38.0890 |
37.5378 |
33.1901 |
36.5868 |
33.8322 |
37.4435 |
37.6367 |
38.5878 |
41.4651 |
35.3744 |
33.3461 |
33.5443 |
34.6446 |
30.8717 |
35.6555 |
40.2316 |
0.0000 |
0.0457 |
38.2095 |
| 31 | 32.7103 |
34.2684 |
28.2411 |
37.1448 |
37.1962 |
39.7419 |
40.0299 |
39.6840 |
36.1941 |
36.0452 |
36.3555 |
35.9213 |
34.7550 |
34.1095 |
38.1824 |
37.6080 |
33.2074 |
36.6343 |
33.9210 |
37.4349 |
37.7567 |
38.5582 |
41.4510 |
35.3710 |
33.4320 |
33.4831 |
34.6845 |
31.0762 |
35.5979 |
40.1178 |
0.0457 |
0.0000 |
38.1703 |
| 32 | 19.8196 |
19.1209 |
36.6117 |
20.8439 |
20.9077 |
13.2201 |
12.7828 |
13.3352 |
24.2668 |
22.1954 |
24.6585 |
17.6729 |
18.8988 |
26.3610 |
33.1557 |
26.6416 |
35.1355 |
15.1526 |
31.1726 |
20.3507 |
17.6722 |
9.0650 |
6.3782 |
16.8594 |
21.7782 |
32.8196 |
17.1426 |
35.5023 |
13.1240 |
9.4529 |
38.2095 |
38.1703 |
0.0000 |