# Details of computing
0: BARBAC.cif
1: BARBAC01.cif
2: BARBAC02.cif
3: BARBAD.cif
4: BARBAD01.cif
5: BARBAD02.cif
6: BARBAD03.cif
7: BARBAD04.cif
8: BARBAD05.cif
9: BARBAD06.cif
10: BARBAD07.cif
11: BARBAD08.cif
12: BARBAD09.cif
13: BARBAD10.cif
14: BARBAD11.cif
15: BARBAD12.cif
16: BARBAD13.cif
17: BARBAD14.cif
18: BARBAD15.cif
19: EFOZAB.cif
20: EFOZAB01.cif
21: EFOZAB02.cif
22: EFOZAB03.cif
23: EFOZAB04.cif
24: EVUMOX.cif
25: GIGQOD.cif
26: JICWOH10.cif
27: VIGFEX.cif
28: VIGFIB.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 |
| 0 | 0.0000 |
0.1339 |
16.6297 |
14.8486 |
14.8720 |
16.1336 |
16.1474 |
16.3530 |
16.3842 |
16.5221 |
16.6025 |
16.6341 |
16.5203 |
17.1066 |
14.8257 |
17.4324 |
17.0782 |
14.8382 |
14.8398 |
6.9150 |
14.7087 |
10.9454 |
6.8275 |
14.5035 |
11.3710 |
7.3261 |
6.1475 |
12.2773 |
10.4235 |
| 1 | 0.1339 |
0.0000 |
16.5188 |
14.8614 |
14.8867 |
16.1536 |
16.1991 |
16.4041 |
16.6375 |
16.6011 |
16.6995 |
16.7176 |
16.5706 |
17.1277 |
14.8276 |
17.0757 |
17.1006 |
14.8414 |
14.8488 |
7.0195 |
14.6666 |
10.8236 |
6.8996 |
14.4967 |
11.3270 |
7.3007 |
6.2218 |
12.1220 |
10.3112 |
| 2 | 16.6297 |
16.5188 |
0.0000 |
11.4014 |
11.4071 |
11.7435 |
11.6883 |
11.5019 |
11.5224 |
11.5030 |
11.6514 |
11.5952 |
11.5497 |
11.6823 |
11.4342 |
11.6720 |
11.6687 |
11.4319 |
11.4194 |
13.2376 |
16.3750 |
13.4114 |
13.2782 |
16.7998 |
13.8125 |
7.0671 |
7.8811 |
13.8944 |
12.8127 |
| 3 | 14.8486 |
14.8614 |
11.4014 |
0.0000 |
0.0187 |
0.3947 |
0.3192 |
0.2731 |
0.2188 |
0.1922 |
0.1405 |
0.1096 |
0.1211 |
0.0435 |
0.0418 |
0.0496 |
0.0459 |
0.0358 |
0.0197 |
15.2015 |
19.1004 |
16.3622 |
15.2804 |
19.4131 |
14.1085 |
8.1525 |
7.1781 |
16.4447 |
15.8673 |
| 4 | 14.8720 |
14.8867 |
11.4071 |
0.0187 |
0.0000 |
0.3992 |
0.3235 |
0.2785 |
0.2242 |
0.1989 |
0.1446 |
0.1161 |
0.1233 |
0.0494 |
0.0462 |
0.0565 |
0.0539 |
0.0404 |
0.0240 |
15.2052 |
19.1525 |
16.3560 |
15.2829 |
19.4628 |
14.1996 |
8.1533 |
7.1851 |
16.4505 |
15.8716 |
| 5 | 16.1336 |
16.1536 |
11.7435 |
0.3947 |
0.3992 |
0.0000 |
0.0594 |
0.0961 |
0.1462 |
0.1736 |
0.2302 |
0.2625 |
0.3815 |
0.3876 |
0.3087 |
0.3879 |
0.3860 |
0.3101 |
0.3128 |
15.0945 |
18.6126 |
15.9218 |
15.1951 |
19.0716 |
13.7132 |
7.8840 |
7.1947 |
16.1207 |
15.2482 |
| 6 | 16.1474 |
16.1991 |
11.6883 |
0.3192 |
0.3235 |
0.0594 |
0.0000 |
0.0347 |
0.0819 |
0.1079 |
0.1620 |
0.1922 |
0.3147 |
0.3120 |
0.2484 |
0.3115 |
0.3103 |
0.2497 |
0.2525 |
15.0991 |
18.7772 |
16.0235 |
15.1908 |
19.1301 |
13.7331 |
7.9157 |
7.1792 |
16.0905 |
15.2951 |
| 7 | 16.3530 |
16.4041 |
11.5019 |
0.2731 |
0.2785 |
0.0961 |
0.0347 |
0.0000 |
0.0458 |
0.0721 |
0.1233 |
0.1528 |
0.2777 |
0.2692 |
0.2142 |
0.2685 |
0.2677 |
0.2153 |
0.2179 |
15.1196 |
18.8348 |
16.1076 |
15.2073 |
19.1850 |
13.7900 |
7.8738 |
7.1797 |
16.1248 |
15.3666 |
| 8 | 16.3842 |
16.6375 |
11.5224 |
0.2188 |
0.2242 |
0.1462 |
0.0819 |
0.0458 |
0.0000 |
0.0286 |
0.0744 |
0.1025 |
0.2311 |
0.2145 |
0.1704 |
0.2135 |
0.2131 |
0.1715 |
0.1742 |
15.1311 |
18.8884 |
16.1973 |
15.2211 |
19.2347 |
13.8484 |
7.9171 |
7.1771 |
16.2327 |
15.4502 |
| 9 | 16.5221 |
16.6011 |
11.5030 |
0.1922 |
0.1989 |
0.1736 |
0.1079 |
0.0721 |
0.0286 |
0.0000 |
0.0528 |
0.0787 |
0.1997 |
0.1877 |
0.1506 |
0.1855 |
0.1854 |
0.1521 |
0.1553 |
15.1003 |
18.8440 |
16.2022 |
15.1828 |
19.1887 |
13.8327 |
7.9164 |
7.1585 |
16.1877 |
15.4493 |
| 10 | 16.6025 |
16.6995 |
11.6514 |
0.1405 |
0.1446 |
0.2302 |
0.1620 |
0.1233 |
0.0744 |
0.0528 |
0.0000 |
0.0263 |
0.1510 |
0.1313 |
0.1049 |
0.1305 |
0.1301 |
0.1054 |
0.1084 |
15.1638 |
18.9901 |
16.3178 |
15.2505 |
19.3302 |
13.9783 |
7.9811 |
7.1800 |
16.3462 |
15.5986 |
| 11 | 16.6341 |
16.7176 |
11.5952 |
0.1096 |
0.1161 |
0.2625 |
0.1922 |
0.1528 |
0.1025 |
0.0787 |
0.0263 |
0.0000 |
0.1360 |
0.1023 |
0.0808 |
0.1011 |
0.1011 |
0.0814 |
0.0848 |
15.1626 |
19.0195 |
16.3280 |
15.2598 |
19.3571 |
14.0440 |
8.0262 |
7.1844 |
16.3742 |
15.6487 |
| 12 | 16.5203 |
16.5706 |
11.5497 |
0.1211 |
0.1233 |
0.3815 |
0.3147 |
0.2777 |
0.2311 |
0.1997 |
0.1510 |
0.1360 |
0.0000 |
0.1074 |
0.0840 |
0.1051 |
0.1055 |
0.0852 |
0.0890 |
15.0905 |
18.8955 |
16.2595 |
15.1550 |
19.2227 |
14.1294 |
7.6733 |
7.1100 |
16.3070 |
15.7229 |
| 13 | 17.1066 |
17.1277 |
11.6823 |
0.0435 |
0.0494 |
0.3876 |
0.3120 |
0.2692 |
0.2145 |
0.1877 |
0.1313 |
0.1023 |
0.1074 |
0.0000 |
0.0149 |
0.0144 |
0.0111 |
0.0096 |
0.0212 |
15.2283 |
19.1768 |
16.3818 |
15.2970 |
19.4890 |
14.2439 |
8.1448 |
7.2120 |
16.4435 |
15.8726 |
| 14 | 14.8257 |
14.8276 |
11.4342 |
0.0418 |
0.0462 |
0.3087 |
0.2484 |
0.2142 |
0.1704 |
0.1506 |
0.1049 |
0.0808 |
0.0840 |
0.0149 |
0.0000 |
0.0011 |
0.0037 |
0.0063 |
0.0231 |
15.1968 |
19.1191 |
16.3406 |
15.2665 |
19.4332 |
14.2036 |
8.1266 |
7.2000 |
16.3794 |
15.8309 |
| 15 | 17.4324 |
17.0757 |
11.6720 |
0.0496 |
0.0565 |
0.3879 |
0.3115 |
0.2685 |
0.2135 |
0.1855 |
0.1305 |
0.1011 |
0.1051 |
0.0144 |
0.0011 |
0.0000 |
0.0043 |
0.0065 |
0.0236 |
15.1943 |
19.1208 |
16.3394 |
15.2640 |
19.4348 |
14.2009 |
8.1246 |
7.1994 |
16.3756 |
15.8297 |
| 16 | 17.0782 |
17.1006 |
11.6687 |
0.0459 |
0.0539 |
0.3860 |
0.3103 |
0.2677 |
0.2131 |
0.1854 |
0.1301 |
0.1011 |
0.1055 |
0.0111 |
0.0037 |
0.0043 |
0.0000 |
0.0036 |
0.0211 |
15.2051 |
19.1339 |
16.3520 |
15.2747 |
19.4476 |
14.2176 |
8.1354 |
7.2034 |
16.3959 |
15.8436 |
| 17 | 14.8382 |
14.8414 |
11.4319 |
0.0358 |
0.0404 |
0.3101 |
0.2497 |
0.2153 |
0.1715 |
0.1521 |
0.1054 |
0.0814 |
0.0852 |
0.0096 |
0.0063 |
0.0065 |
0.0036 |
0.0000 |
0.0178 |
15.2035 |
19.1326 |
16.3517 |
15.2729 |
19.4461 |
14.2132 |
8.1342 |
7.2015 |
16.3949 |
15.8429 |
| 18 | 14.8398 |
14.8488 |
11.4194 |
0.0197 |
0.0240 |
0.3128 |
0.2525 |
0.2179 |
0.1742 |
0.1553 |
0.1084 |
0.0848 |
0.0890 |
0.0212 |
0.0231 |
0.0236 |
0.0211 |
0.0178 |
0.0000 |
15.1932 |
19.1237 |
16.3438 |
15.2691 |
19.4361 |
14.1952 |
8.1350 |
7.1902 |
16.4055 |
15.8416 |
| 19 | 6.9150 |
7.0195 |
13.2376 |
15.2015 |
15.2052 |
15.0945 |
15.0991 |
15.1196 |
15.1311 |
15.1003 |
15.1638 |
15.1626 |
15.0905 |
15.2283 |
15.1968 |
15.1943 |
15.2051 |
15.2035 |
15.1932 |
0.0000 |
16.7655 |
10.4533 |
0.1437 |
16.7483 |
12.5711 |
7.6942 |
5.8316 |
13.0112 |
12.1393 |
| 20 | 14.7087 |
14.6666 |
16.3750 |
19.1004 |
19.1525 |
18.6126 |
18.7772 |
18.8348 |
18.8884 |
18.8440 |
18.9901 |
19.0195 |
18.8955 |
19.1768 |
19.1191 |
19.1208 |
19.1339 |
19.1326 |
19.1237 |
16.7655 |
0.0000 |
14.9077 |
15.0056 |
0.2109 |
12.7965 |
11.7796 |
5.5363 |
10.7943 |
12.4470 |
| 21 | 10.9454 |
10.8236 |
13.4114 |
16.3622 |
16.3560 |
15.9218 |
16.0235 |
16.1076 |
16.1973 |
16.2022 |
16.3178 |
16.3280 |
16.2595 |
16.3818 |
16.3406 |
16.3394 |
16.3520 |
16.3517 |
16.3438 |
10.4533 |
14.9077 |
0.0000 |
12.0238 |
12.9775 |
10.1787 |
6.9368 |
6.7471 |
11.1188 |
10.8717 |
| 22 | 6.8275 |
6.8996 |
13.2782 |
15.2804 |
15.2829 |
15.1951 |
15.1908 |
15.2073 |
15.2211 |
15.1828 |
15.2505 |
15.2598 |
15.1550 |
15.2970 |
15.2665 |
15.2640 |
15.2747 |
15.2729 |
15.2691 |
0.1437 |
15.0056 |
12.0238 |
0.0000 |
16.6025 |
12.4230 |
7.6818 |
5.8597 |
12.8431 |
12.1514 |
| 23 | 14.5035 |
14.4967 |
16.7998 |
19.4131 |
19.4628 |
19.0716 |
19.1301 |
19.1850 |
19.2347 |
19.1887 |
19.3302 |
19.3571 |
19.2227 |
19.4890 |
19.4332 |
19.4348 |
19.4476 |
19.4461 |
19.4361 |
16.7483 |
0.2109 |
12.9775 |
16.6025 |
0.0000 |
12.9862 |
11.9457 |
5.7180 |
10.7455 |
12.4818 |
| 24 | 11.3710 |
11.3270 |
13.8125 |
14.1085 |
14.1996 |
13.7132 |
13.7331 |
13.7900 |
13.8484 |
13.8327 |
13.9783 |
14.0440 |
14.1294 |
14.2439 |
14.2036 |
14.2009 |
14.2176 |
14.2132 |
14.1952 |
12.5711 |
12.7965 |
10.1787 |
12.4230 |
12.9862 |
0.0000 |
6.4927 |
5.5681 |
9.9805 |
13.0768 |
| 25 | 7.3261 |
7.3007 |
7.0671 |
8.1525 |
8.1533 |
7.8840 |
7.9157 |
7.8738 |
7.9171 |
7.9164 |
7.9811 |
8.0262 |
7.6733 |
8.1448 |
8.1266 |
8.1246 |
8.1354 |
8.1342 |
8.1350 |
7.6942 |
11.7796 |
6.9368 |
7.6818 |
11.9457 |
6.4927 |
0.0000 |
7.3584 |
10.5202 |
12.9293 |
| 26 | 6.1475 |
6.2218 |
7.8811 |
7.1781 |
7.1851 |
7.1947 |
7.1792 |
7.1797 |
7.1771 |
7.1585 |
7.1800 |
7.1844 |
7.1100 |
7.2120 |
7.2000 |
7.1994 |
7.2034 |
7.2015 |
7.1902 |
5.8316 |
5.5363 |
6.7471 |
5.8597 |
5.7180 |
5.5681 |
7.3584 |
0.0000 |
14.9081 |
10.2027 |
| 27 | 12.2773 |
12.1220 |
13.8944 |
16.4447 |
16.4505 |
16.1207 |
16.0905 |
16.1248 |
16.2327 |
16.1877 |
16.3462 |
16.3742 |
16.3070 |
16.4435 |
16.3794 |
16.3756 |
16.3959 |
16.3949 |
16.4055 |
13.0112 |
10.7943 |
11.1188 |
12.8431 |
10.7455 |
9.9805 |
10.5202 |
14.9081 |
0.0000 |
13.1638 |
| 28 | 10.4235 |
10.3112 |
12.8127 |
15.8673 |
15.8716 |
15.2482 |
15.2951 |
15.3666 |
15.4502 |
15.4493 |
15.5986 |
15.6487 |
15.7229 |
15.8726 |
15.8309 |
15.8297 |
15.8436 |
15.8429 |
15.8416 |
12.1393 |
12.4470 |
10.8717 |
12.1514 |
12.4818 |
13.0768 |
12.9293 |
10.2027 |
13.1638 |
0.0000 |