# Details of computing
0: IFORAY.cif
1: MNPHOL02.cif
2: MNPHOL03.cif
3: MNPHOL10.cif
4: MNPHOL11.cif
5: MNPHOL12.cif
6: MNPHOL13.cif
7: MNPHOL14.cif
8: MNPHOL15.cif
9: MNPHOL16.cif
10: MNPHOL17.cif
11: MNPHOL18.cif
12: MNPHOL19.cif
13: MNPHOL20.cif
14: MNPHOL21.cif
15: MNPHOL22.cif
16: MNPHOL23.cif
17: MNPHOL24.cif
18: MNPHOL25.cif
19: MNPHOL26.cif
20: RIDFAN.cif
21: RIDFER.cif
-------------------------------------
| | 0 | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18 | 19 | 20 | 21 |
| 0 | 0.0000 |
27.5828 |
25.3458 |
27.5888 |
27.5600 |
27.4332 |
27.5865 |
27.5755 |
27.5643 |
27.5654 |
27.5968 |
24.9624 |
25.1475 |
25.3540 |
25.3393 |
25.2965 |
25.2736 |
25.2380 |
25.1882 |
27.5123 |
26.3929 |
19.8671 |
| 1 | 27.5828 |
0.0000 |
19.3632 |
0.0080 |
0.0173 |
0.0301 |
0.0912 |
0.0707 |
0.0451 |
0.0199 |
0.1133 |
19.2298 |
19.2100 |
19.3715 |
19.3681 |
19.3488 |
19.3270 |
19.3011 |
19.2657 |
0.1148 |
24.1596 |
23.3239 |
| 2 | 25.3458 |
19.3632 |
0.0000 |
19.7632 |
19.7556 |
19.6575 |
19.8233 |
19.8008 |
19.7696 |
19.7421 |
19.8492 |
0.1062 |
0.1510 |
0.0144 |
0.0102 |
0.0246 |
0.0451 |
0.0625 |
0.0842 |
19.7917 |
28.5768 |
17.9897 |
| 3 | 27.5888 |
0.0080 |
19.7632 |
0.0000 |
0.0164 |
0.0300 |
0.0884 |
0.0679 |
0.0421 |
0.0172 |
0.1106 |
19.2499 |
19.2298 |
19.3908 |
19.3876 |
19.3684 |
19.3467 |
19.3209 |
19.2857 |
0.1124 |
24.1672 |
23.3192 |
| 4 | 27.5600 |
0.0173 |
19.7556 |
0.0164 |
0.0000 |
0.0181 |
0.1030 |
0.0824 |
0.0564 |
0.0292 |
0.1254 |
19.2567 |
19.2358 |
19.3967 |
19.3937 |
19.3747 |
19.3533 |
19.3277 |
19.2926 |
0.1272 |
24.2815 |
23.3305 |
| 5 | 27.4332 |
0.0301 |
19.6575 |
0.0300 |
0.0181 |
0.0000 |
0.1103 |
0.0897 |
0.0636 |
0.0360 |
0.1329 |
19.1759 |
19.1552 |
19.3143 |
19.3118 |
19.2930 |
19.2719 |
19.2466 |
19.2119 |
0.1324 |
24.0334 |
23.1447 |
| 6 | 27.5865 |
0.0912 |
19.8233 |
0.0884 |
0.1030 |
0.1103 |
0.0000 |
0.0203 |
0.0467 |
0.0789 |
0.0225 |
19.2108 |
19.2005 |
19.3462 |
19.3425 |
19.3229 |
19.3006 |
19.2749 |
19.2397 |
0.0281 |
24.7927 |
23.3258 |
| 7 | 27.5755 |
0.0707 |
19.8008 |
0.0679 |
0.0824 |
0.0897 |
0.0203 |
0.0000 |
0.0263 |
0.0584 |
0.0426 |
19.2071 |
19.1954 |
19.3471 |
19.3435 |
19.3239 |
19.3018 |
19.2760 |
19.2403 |
0.0459 |
24.2165 |
23.3185 |
| 8 | 27.5643 |
0.0451 |
19.7696 |
0.0421 |
0.0564 |
0.0636 |
0.0467 |
0.0263 |
0.0000 |
0.0321 |
0.0691 |
19.2064 |
19.1902 |
19.3476 |
19.3441 |
19.3247 |
19.3028 |
19.2771 |
19.2416 |
0.0708 |
24.2228 |
23.2793 |
| 9 | 27.5654 |
0.0199 |
19.7421 |
0.0172 |
0.0292 |
0.0360 |
0.0789 |
0.0584 |
0.0321 |
0.0000 |
0.1015 |
19.2115 |
19.1913 |
19.3524 |
19.3493 |
19.3301 |
19.3084 |
19.2828 |
19.2476 |
0.1016 |
24.1285 |
23.2730 |
| 10 | 27.5968 |
0.1133 |
19.8492 |
0.1106 |
0.1254 |
0.1329 |
0.0225 |
0.0426 |
0.0691 |
0.1015 |
0.0000 |
19.2232 |
19.2128 |
19.3508 |
19.3471 |
19.3274 |
19.3052 |
19.2806 |
19.2493 |
0.0171 |
24.7949 |
23.3412 |
| 11 | 24.9624 |
19.2298 |
0.1062 |
19.2499 |
19.2567 |
19.1759 |
19.2108 |
19.2071 |
19.2064 |
19.2115 |
19.2232 |
0.0000 |
0.0552 |
0.1174 |
0.0982 |
0.0819 |
0.0613 |
0.0445 |
0.0254 |
19.7904 |
28.4325 |
18.0265 |
| 12 | 25.1475 |
19.2100 |
0.1510 |
19.2298 |
19.2358 |
19.1552 |
19.2005 |
19.1954 |
19.1902 |
19.1913 |
19.2128 |
0.0552 |
0.0000 |
0.1595 |
0.1414 |
0.1264 |
0.1069 |
0.0925 |
0.0758 |
19.8117 |
28.0479 |
18.0301 |
| 13 | 25.3540 |
19.3715 |
0.0144 |
19.3908 |
19.3967 |
19.3143 |
19.3462 |
19.3471 |
19.3476 |
19.3524 |
19.3508 |
0.1174 |
0.1595 |
0.0000 |
0.0199 |
0.0360 |
0.0568 |
0.0744 |
0.0961 |
19.7844 |
28.5713 |
17.9633 |
| 14 | 25.3393 |
19.3681 |
0.0102 |
19.3876 |
19.3937 |
19.3118 |
19.3425 |
19.3435 |
19.3441 |
19.3493 |
19.3471 |
0.0982 |
0.1414 |
0.0199 |
0.0000 |
0.0163 |
0.0371 |
0.0547 |
0.0764 |
19.8031 |
28.5854 |
17.9758 |
| 15 | 25.2965 |
19.3488 |
0.0246 |
19.3684 |
19.3747 |
19.2930 |
19.3229 |
19.3239 |
19.3247 |
19.3301 |
19.3274 |
0.0819 |
0.1264 |
0.0360 |
0.0163 |
0.0000 |
0.0210 |
0.0384 |
0.0600 |
19.8017 |
28.5710 |
17.9844 |
| 16 | 25.2736 |
19.3270 |
0.0451 |
19.3467 |
19.3533 |
19.2719 |
19.3006 |
19.3018 |
19.3028 |
19.3084 |
19.3052 |
0.0613 |
0.1069 |
0.0568 |
0.0371 |
0.0210 |
0.0000 |
0.0176 |
0.0389 |
19.8063 |
28.5629 |
18.0210 |
| 17 | 25.2380 |
19.3011 |
0.0625 |
19.3209 |
19.3277 |
19.2466 |
19.2749 |
19.2760 |
19.2771 |
19.2828 |
19.2806 |
0.0445 |
0.0925 |
0.0744 |
0.0547 |
0.0384 |
0.0176 |
0.0000 |
0.0215 |
19.8025 |
28.5351 |
18.0373 |
| 18 | 25.1882 |
19.2657 |
0.0842 |
19.2857 |
19.2926 |
19.2119 |
19.2397 |
19.2403 |
19.2416 |
19.2476 |
19.2493 |
0.0254 |
0.0758 |
0.0961 |
0.0764 |
0.0600 |
0.0389 |
0.0215 |
0.0000 |
19.8004 |
28.4902 |
18.0539 |
| 19 | 27.5123 |
0.1148 |
19.7917 |
0.1124 |
0.1272 |
0.1324 |
0.0281 |
0.0459 |
0.0708 |
0.1016 |
0.0171 |
19.7904 |
19.8117 |
19.7844 |
19.8031 |
19.8017 |
19.8063 |
19.8025 |
19.8004 |
0.0000 |
24.7516 |
23.2242 |
| 20 | 26.3929 |
24.1596 |
28.5768 |
24.1672 |
24.2815 |
24.0334 |
24.7927 |
24.2165 |
24.2228 |
24.1285 |
24.7949 |
28.4325 |
28.0479 |
28.5713 |
28.5854 |
28.5710 |
28.5629 |
28.5351 |
28.4902 |
24.7516 |
0.0000 |
24.1431 |
| 21 | 19.8671 |
23.3239 |
17.9897 |
23.3192 |
23.3305 |
23.1447 |
23.3258 |
23.3185 |
23.2793 |
23.2730 |
23.3412 |
18.0265 |
18.0301 |
17.9633 |
17.9758 |
17.9844 |
18.0210 |
18.0373 |
18.0539 |
23.2242 |
24.1431 |
0.0000 |