AMS 2021.106 r99350 2021-12-03 2023-06-07T15:05:17.000 GEOMETRY OPTIMIZATION DFT PBE0 == Not Default == 2875.184670 AuxInfo=1/0/N:14,15,16,17,1;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;2;3;4;5;6;7;8;9;10;11;12;13/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:53SiWWWWWWWWWWWWO1O1O1O1OOOOOOOOOOOOOOOOOOOOOOOOO1O1O1O1O1O1O1O1O1O1O1O1/rB:;;;;;;;;;;;;s1;s1;s1;s1;s9s11;s6s7;s8s10;s7s12;s3s13;s5s12;s10s13;s2s11;s4s8;s2s9;s4s5;s3s6;s6s12;s9s10;s7s13;s8s11;s2s12;s4s13;s5s11;s3s10;s3s9;s5s8;s2s6;s4s7;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; Restricted Restricted DFT Restricted Restricted Point Charge Nuclei Frozen Orbital(s) Task GeometryOptimization System Atoms Si 0.0 0.0 0.000548 W 1.076005 1.863696 -2.860965 W -3.153615 1.67997 -0.069004 W 0.982807 -1.702272 2.995605 W 3.031704 -1.891126 -0.069004 W 0.121911 3.571095 -0.069004 W 0.982807 1.702272 2.995605 W 0.121911 -3.571095 -0.069004 W -2.152011 0.0 -2.860965 W -3.153615 -1.67997 -0.069004 W 1.076005 -1.863696 -2.860965 W 3.031704 1.891126 -0.069004 W -1.965614 0.0 2.995605 O 0.772266 1.337604 -0.550167 O -1.544532 0.0 -0.550167 O 0.0 0.0 1.638736 O 0.772266 -1.337604 -0.550167 O -0.746571 -1.2931 -3.059254 O 0.16694 2.921051 1.744921 O -1.651893 -2.861163 -0.252398 O 2.446234 1.6051 1.744921 O -2.613175 1.315951 1.744921 O 3.303787 0.0 -0.252398 O -2.613175 -1.315951 1.744921 O 1.493143 0.0 -3.059254 O 0.16694 -2.921051 1.744921 O -0.746571 1.2931 -3.059254 O 2.446234 -1.6051 1.744921 O -1.651893 2.861163 -0.252398 O 2.051865 3.553935 0.07111099999999999 O -3.203749 -1.367549 -1.978771 O -0.7738120000000001 1.340281 3.721025 O 0.417543 -3.458303 -1.978771 O 2.786206 2.090754 -1.978771 O -0.7738120000000001 -1.340281 3.721025 O 2.786206 -2.090754 -1.978771 O -4.103731 0.0 0.07111099999999999 O -3.203749 1.367549 -1.978771 O 2.051865 -3.553935 0.07111099999999999 O 0.417543 3.458303 -1.978771 O 1.547623 0.0 3.721025 O 1.436061 2.48733 -4.431442 O -4.45817 2.794545 0.134324 O 1.605732 -2.78121 4.192213 O 4.649232 -2.463616 0.134324 O -0.191062 5.258161 0.134324 O 1.605732 2.78121 4.192213 O -0.191062 -5.258161 0.134324 O -2.872121 0.0 -4.431442 O -4.45817 -2.794545 0.134324 O 1.436061 -2.48733 -4.431442 O 4.649232 2.463616 0.134324 O -3.211464 0.0 4.192213 End Charge -4.0 BondOrders 1 14 1.0 1 15 1.0 1 16 1.0 1 17 1.0 2 14 1.0 2 25 1.0 2 27 1.0 2 34 1.0 2 40 1.0 2 42 1.0 3 15 1.0 3 22 1.0 3 29 1.0 3 37 1.0 3 38 1.0 3 43 1.0 4 16 1.0 4 26 1.0 4 28 1.0 4 35 1.0 4 41 1.0 4 44 1.0 5 17 1.0 5 23 1.0 5 28 1.0 5 36 1.0 5 39 1.0 5 45 1.0 6 14 1.0 6 19 1.0 6 29 1.0 6 30 1.0 6 40 1.0 6 46 1.0 7 16 1.0 7 19 1.0 7 21 1.0 7 32 1.0 7 41 1.0 7 47 1.0 8 17 1.0 8 20 1.0 8 26 1.0 8 33 1.0 8 39 1.0 8 48 1.0 9 15 1.0 9 18 1.0 9 27 1.0 9 31 1.0 9 38 1.0 9 49 1.0 10 15 1.0 10 20 1.0 10 24 1.0 10 31 1.0 10 37 1.0 10 50 1.0 11 17 1.0 11 18 1.0 11 25 1.0 11 33 1.0 11 36 1.0 11 51 1.0 12 14 1.0 12 21 1.0 12 23 1.0 12 30 1.0 12 34 1.0 12 52 1.0 13 16 1.0 13 22 1.0 13 24 1.0 13 32 1.0 13 35 1.0 13 53 1.0 End End Engine ADF Basis Type TZP Core None End XC Hybrid PBE0 End EndEngine NOSYM -4 SCF CONVERGED 2875.184670 AuxInfo=1/0/N:14,15,16,17,1;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;2;3;4;5;6;7;8;9;10;11;12;13/E:(1,2,3,4);;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/CRV:1.1,2.1,3.1,4.1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/rA:53SiWWWWWWWWWWWWO1O1O1O1OOOOOOOOOOOOOOOOOOOOOOOOO1O1O1O1O1O1O1O1O1O1O1O1/rB:;;;;;;;;;;;;s1;s1;s1;s1;s9s11;s6s7;s8s10;s7s12;s3s13;s5s12;s10s13;s2s11;s4s8;s2s9;s4s5;s3s6;s6s12;s9s10;s7s13;s8s11;s2s12;s4s13;s5s11;s3s10;s3s9;s5s8;s2s6;s4s7;s2;s3;s4;s5;s6;s7;s8;s9;s10;s11;s12;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; 34912.41759100 993.85139400 36164.88405895 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 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 Si W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 1.80590155 2.64060944 2.64051110 2.64014925 2.64045553 2.64051444 2.64014940 2.64051451 2.64049099 2.64051121 2.64060935 2.64045576 2.64000326 -1.10349939 -1.10148267 -1.10061456 -1.10349933 -0.98502113 -0.98197400 -0.99308751 -0.98174579 -0.98169329 -0.99229879 -0.98169312 -0.98373909 -0.98197432 -0.98502133 -0.98174602 -0.99308758 -0.95401074 -0.95903167 -0.95582799 -0.95877302 -0.95875092 -0.95582786 -0.95875103 -0.95370813 -0.95903169 -0.95401066 -0.95877290 -0.95640632 -0.81437809 -0.81564488 -0.81304632 -0.81589407 -0.81503706 -0.81304638 -0.81503726 -0.81449399 -0.81564483 -0.81437802 -0.81589407 -0.81329996 1.37242218 2.03879830 2.03896308 2.04098750 2.03888821 2.03881466 2.04098762 2.03881468 2.03864082 2.03896319 2.03879820 2.03888838 2.04089402 -0.78620819 -0.78453260 -0.78752324 -0.78620811 -0.73373680 -0.73748922 -0.73187163 -0.73755816 -0.73743844 -0.73154795 -0.73743833 -0.73287789 -0.73748947 -0.73373696 -0.73755830 -0.73187164 -0.78117199 -0.78415116 -0.78019113 -0.78386774 -0.78385237 -0.78019091 -0.78385254 -0.78106121 -0.78415106 -0.78117150 -0.78386751 -0.78035006 -0.70790909 -0.70835495 -0.70595706 -0.70857016 -0.70823515 -0.70595716 -0.70823538 -0.70778259 -0.70835496 -0.70790914 -0.70857023 -0.70605884 1.33035249 2.14411429 2.14210487 2.14719365 2.14126665 2.14051449 2.14719382 2.14051447 2.13906784 2.14210502 2.14411423 2.14126692 2.14189374 -0.83472036 -0.84490861 -0.85421548 -0.83472033 -0.81753629 -0.81804522 -0.80848403 -0.81857329 -0.81779832 -0.81595792 -0.81779822 -0.82120789 -0.81804554 -0.81753653 -0.81857347 -0.80848399 -0.82548080 -0.81903539 -0.81560068 -0.81988354 -0.81962553 -0.81560049 -0.81962574 -0.82371566 -0.81903529 -0.82547998 -0.81988326 -0.81708023 -0.67010608 -0.67035935 -0.66904394 -0.66845960 -0.67049875 -0.66904408 -0.67049896 -0.67024673 -0.67035944 -0.67010626 -0.66845971 -0.66786751 -450.226418 618.754223 -182.808193 -573.679823 0.000000 -587.960211 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 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 Si W W W W W W W W W W W W O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 2.75614297 2.73789237 2.73175934 2.76441961 2.73107742 2.73210448 2.76447714 2.73207755 2.73202481 2.73185575 2.73801745 2.73117040 2.76479122 -1.22744839 -1.22670524 -1.23681469 -1.22744748 -1.04426498 -1.04863962 -1.07474809 -1.04759388 -1.04876052 -1.07435575 -1.04876124 -1.04574625 -1.04864601 -1.04426633 -1.04759428 -1.07474942 -1.01330094 -1.03680310 -1.03410274 -1.03723916 -1.03768660 -1.03410410 -1.03768402 -1.01366866 -1.03680408 -1.01330467 -1.03724205 -1.03411792 -0.80917766 -0.81009558 -0.80934451 -0.81022219 -0.80966260 -0.80934574 -0.80966184 -0.80874808 -0.81009818 -0.80918108 -0.81022435 -0.80944848 -0.00295343 0.00000234 -0.03135458 0.031355 0.29984650 -0.00002231 0.03072534 0.39502194 -0.00002454 -0.69486844 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 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 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735 736 737 738 739 740 741 742 743 744 745 746 747 748 749 750 751 752 753 754 755 756 757 758 759 760 761 762 763 764 765 766 767 768 769 770 771 772 773 774 775 776 777 778 779 780 781 782 783 784 785 786 787 788 789 790 791 792 793 794 795 796 797 798 799 800 801 802 803 804 805 806 807 808 809 810 811 812 813 814 815 816 817 818 819 820 821 822 823 824 825 826 827 828 829 830 831 832 833 834 835 836 837 838 839 840 841 842 843 844 845 846 847 848 849 850 851 852 853 854 855 856 857 858 859 860 861 862 863 864 865 866 867 868 869 870 871 872 873 874 875 876 877 878 879 880 881 882 883 884 885 886 887 888 889 890 891 892 893 894 895 896 897 898 899 900 901 902 903 904 905 906 907 908 909 910 911 912 913 914 915 916 917 918 919 920 921 922 923 924 925 926 927 928 929 930 931 932 933 934 935 936 937 938 939 940 941 942 943 944 945 946 947 948 949 950 951 952 953 954 955 956 957 958 959 960 961 962 963 964 965 966 967 968 969 970 971 972 973 974 975 976 977 978 979 980 981 982 983 984 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1188 1189 1190 1191 1192 1193 1194 1195 1196 1197 1198 1199 1200 1201 1202 1203 1204 1205 1206 1207 1208 1209 1210 1211 1212 1213 1214 1215 1216 1217 1218 1219 1220 1221 1222 1223 1224 1225 1226 1227 1228 1229 1230 1231 1232 1233 1234 1235 1236 1237 1238 1239 1240 1241 1242 1243 1244 1245 1246 1247 1248 1249 1250 1251 1252 1253 1254 1255 1256 1257 1258 1259 1260 1261 1262 1263 1264 1265 1266 1267 1268 1269 1270 1271 1272 1273 1274 1275 1276 1277 1278 1279 1280 1281 1282 1283 1284 1285 1286 1287 1288 1289 1290 1291 1292 1293 1294 1295 1296 1297 1298 1299 1300 1301 1302 1303 1304 1305 1306 1307 1308 1309 1310 1311 1312 1313 1314 1315 1316 1317 1318 1319 1320 1321 1322 1323 1324 1325 1326 1327 1328 1329 1330 1331 1332 1333 1334 1335 1336 1337 1338 1339 1340 1341 1342 1343 1344 1345 1346 1347 1348 1349 1350 1351 1352 1353 1354 1355 1356 1357 1358 1359 1360 1361 1362 1363 1364 1365 1366 1367 1368 1369 1370 1371 1372 1373 1374 1375 1376 1377 1378 1379 1380 1381 1382 1383 1384 1385 1386 1387 1388 1389 1390 1391 1392 1393 1394 1395 1396 1397 1398 1399 1400 1401 1402 1403 1404 1405 1406 1407 1408 1409 1410 1411 1412 1413 1414 1415 1416 1417 1418 1419 1420 1421 1422 1423 1424 1425 1426 1427 1428 1429 1430 1431 1432 1433 1434 1435 1436 1437 1438 1439 1440 1441 1442 1443 1444 1445 1446 1447 1448 1449 1450 1451 1452 1453 1454 1455 1456 1457 1458 1459 1460 1461 1462 1463 1464 1465 1466 1467 1468 1469 1470 1471 1472 1473 1474 1475 1476 1477 1478 1479 1480 1481 1482 1483 1484 1485 1486 1487 1488 1489 1490 1491 1492 1493 1494 1495 1496 1497 1498 1499 1500 1501 1502 1503 1504 1505 1506 1507 1508 1509 1510 1511 1512 1513 1514 1515 1516 1517 1518 1519 1520 1521 1522 1523 1524 1525 1526 1527 1528 1529 1530 1531 1532 1533 1534 1535 1536 1537 1538 1539 1540 1541 1542 1543 1544 1545 1546 1547 1548 1549 1550 1551 1552 1553 1554 1555 1556 1557 1558 1559 1560 1561 1562 1563 1564 1565 1566 1567 1568 1569 1570 1571 1572 1573 1574 1575 1576 1577 1578 1579 1580 1581 1582 1583 1584 1585 1586 1587 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A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A A -21.60712910 -587.960211 -4 GEOMETRY CONVERGED 0.00000731775931 0.00533407701120 0.00501172732885 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 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 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2.28 2.28 2.18 2.18 2.06 2.06 1.15 1.15 2 2 2 2 2 2 2 2 2 2 2 2 3 3 2 2 2 2 2 2 S S S S S S S S S S S S D:z2 D:z2 S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 2.00 2.00 2.00 2.00 2.00 33 40 26 19 20 29 30 39 24 22 34 36 8 6 31 38 14 17 18 27 O O O O O O O O O O O O W W O O O O O O -17.098 2.00 470 A 17.15 16.82 10.16 8.19 4.38 4.38 4.12 4.12 2.51 2.51 2.30 2.30 2.01 2.01 1.05 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 23 37 41 25 20 29 30 39 35 32 48 46 18 27 49 O O O O O O O O O O O O O O O -17.097 2.00 471 A 12.76 12.76 12.64 12.64 7.60 7.60 6.05 6.05 2.03 2.03 1.50 1.50 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 29 20 39 30 32 35 27 18 50 43 52 45 O O O O O O O O O O O O -17.041 2.00 472 A 13.07 13.07 11.28 11.27 7.82 7.82 4.23 4.23 4.17 2.18 1.82 1.82 1.27 1.27 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 21 28 31 38 34 36 24 22 41 53 18 27 33 40 O O O O O O O O O O O O O O -17.040 2.00 473 A 13.86 13.85 11.68 11.67 5.66 5.66 5.22 5.21 1.90 1.90 1.84 1.83 1.39 1.38 1.22 1.21 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 33 40 19 26 38 31 22 24 44 47 36 34 28 21 18 27 O O O O O O O O O O O O O O O O -17.038 2.00 474 A 9.54 9.53 8.04 8.04 7.15 6.50 5.42 5.41 4.42 4.42 2.98 2.97 2.50 2.49 1.54 1.47 1.40 1.04 1.04 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 35 32 34 36 25 41 24 22 27 18 26 19 40 33 49 16 23 29 20 O O O O O O O O O O O O O O O O O O O -16.859 2.00 475 A 13.12 11.78 10.41 9.03 3.84 3.84 3.15 3.14 3.00 3.00 2.86 2.86 2.73 2.73 2.26 2.26 1.87 1.87 1.61 1.33 1.33 1.19 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 37 25 23 41 19 26 30 39 18 27 33 40 20 29 35 32 38 31 49 22 24 53 O O O O O O O O O O O O O O O O O O O O O O -16.857 2.00 476 A 9.71 9.70 8.87 8.87 7.79 7.79 6.74 6.74 3.98 3.98 2.50 2.50 1.90 1.90 1.81 1.81 1.17 1.17 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 39 30 27 18 29 20 32 35 21 28 34 36 24 22 31 38 51 42 O O O O O O O O O O O O O O O O O O -16.846 2.00 477 A 9.10 9.10 8.57 8.57 7.67 7.67 7.50 7.50 6.73 6.73 6.41 6.41 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 24 22 26 19 28 21 34 36 40 33 38 31 O O O O O O O O O O O O -16.774 2.00 478 A 20.82 20.81 7.93 7.92 7.65 7.64 6.79 6.78 1.36 1.36 2 2 2 2 2 2 2 2 3 3 S S S S S S S S D:xy D:xy -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 50 43 47 44 52 45 42 51 10 3 O O O O O O O O W W -16.774 2.00 479 A 19.65 17.86 9.14 9.13 4.93 4.92 4.74 4.72 4.00 3.99 1.27 1.05 1.05 1.05 1.00 2 2 2 2 2 2 2 2 2 2 3 2 2 2 2 S S S S S S S S S S D:xz S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 53 49 45 52 44 47 43 50 51 42 13 46 48 25 23 O O O O O O O O O O W O O O O -16.772 2.00 480 A 22.87 22.87 6.75 6.75 6.01 6.01 5.51 5.51 2.01 2.01 1.21 1.21 2 2 2 2 2 2 2 2 2 2 3 3 S S S S S S S S S S D:x2-y2 D:x2-y2 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 46 48 47 44 45 52 42 51 43 50 6 8 O O O O O O O O O O W W -16.756 2.00 481 A 19.85 16.97 16.97 5.44 5.44 5.18 5.18 4.06 4.06 1.21 1.21 1.13 1.05 2 2 2 2 2 2 2 2 2 2 2 3 2 S S S S S S S S S S S D:z2 S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 49 42 51 43 50 52 45 46 48 18 27 9 25 O O O O O O O O O O O W O -16.752 2.00 482 A 35.26 8.94 8.25 8.13 5.26 5.22 3.50 3.27 2.58 1.55 1.40 1.28 1.25 1.19 1.15 2 2 2 2 2 2 2 2 3 2 2 2 2 2 2 S S S S S S S S D:xz S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 2.00 2.00 2.00 2.00 2.00 2.00 53 47 49 44 45 52 42 51 13 50 43 21 28 24 22 O O O O O O O O W O O O O O O -16.752 2.00 483 A 26.12 25.31 5.27 5.04 5.02 4.89 4.87 4.80 1.54 1.54 1.49 1.45 2 2 2 2 2 2 2 2 2 2 3 3 S S S S S S S S S S D:yz D:yz -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 44 47 51 42 43 46 50 48 26 19 4 7 O O O O O O O O O O W W -16.747 2.00 484 A 14.16 14.16 13.85 13.85 10.29 10.29 1.43 1.43 2 2 2 2 2 2 2 2 S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 50 43 52 45 51 42 27 18 O O O O O O O O -16.746 2.00 485 A 21.11 21.10 8.63 8.62 8.00 3.27 3.27 2.31 2.31 1.96 1.26 1.26 1.23 2 2 2 2 2 2 2 2 2 2 3 3 2 S S S S S S S S S S D:x2-y2 D:x2-y2 S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -4.382 -4.382 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 0.80 0.80 2.00 48 46 45 52 49 42 51 43 50 25 8 6 41 O O O O O O O O O O W W O -16.724 2.00 486 A 8.01 7.49 7.49 7.43 7.43 7.27 7.17 7.17 6.86 6.86 6.78 6.78 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 49 48 46 44 47 53 50 43 52 45 42 51 O O O O O O O O O O O O -16.653 2.00 487 A 4.70 4.70 4.57 4.28 4.28 4.26 4.26 4.17 4.17 4.08 4.08 3.96 3.96 3.96 3.96 3.87 3.87 3.86 3.86 3.80 3.75 1.21 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 32 35 41 21 28 24 22 26 19 34 36 33 40 31 38 44 47 27 18 53 25 16 O O O O O O O O O O O O O O O O O O O O O O -16.647 2.00 488 A 19.90 19.80 19.80 6.59 2.64 2.64 2.46 2.46 2.19 2.18 1.83 1.83 1.45 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 49 50 43 15 52 45 47 44 46 48 42 51 53 O O O O O O O O O O O O O -16.646 2.00 489 A 14.93 13.96 13.96 5.39 5.36 5.08 4.41 4.39 4.30 4.27 1.53 1.52 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 53 44 47 42 51 16 52 45 46 48 14 17 O O O O O O O O O O O O -16.645 2.00 490 A 14.51 14.47 13.47 13.44 12.81 12.78 4.45 4.44 2 2 2 2 2 2 2 2 S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 48 46 45 52 51 42 17 14 O O O O O O O O -16.585 2.00 491 A 14.91 14.91 14.70 14.39 14.28 14.28 2 2 2 2 2 2 S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 39 30 23 37 20 29 O O O O O O -16.558 2.00 492 A 11.40 10.98 10.98 10.19 10.11 10.11 2.79 2.77 2.76 2.74 2.63 2.61 2.53 2.52 2.51 2.50 2.39 2.38 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 25 19 26 41 40 33 27 18 21 28 24 22 34 36 32 35 31 38 O O O O O O O O O O O O O O O O O O -16.558 2.00 493 A 8.50 8.49 8.22 8.20 8.15 8.13 7.66 7.65 7.49 7.47 7.45 7.43 2 2 2 2 2 2 2 2 2 2 2 2 S S S S S S S S S S S S -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 -27.198 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 2.00 18 27 22 24 28 21 35 32 36 34 38 31 O O O O O O O O O O O O -6.428 2.00 494 A 15.17 14.79 11.09 11.09 6.52 3.69 3.69 1.88 1.70 1.70 1.69 1.05 1.05 1.05 1.04 1 1 1 1 4 1 1 3 1 1 1 2 2 2 2 P:z P:x P:y P:y S P:x P:x S P:z P:z P:z S S S S -9.955 -9.955 -9.955 -9.955 4.178 -9.955 -9.955 -12.276 -9.955 -9.955 -9.955 -27.198 -27.198 -27.198 -27.198 1.33 1.33 1.33 1.33 0.00 1.33 1.33 2.00 1.33 1.33 1.33 2.00 2.00 2.00 2.00 16 15 14 17 1 14 17 1 14 17 15 16 17 14 15 O O O O Si O O Si O O O O O O O -5.577 2.00 495 A 8.16 6.30 6.21 6.21 4.67 4.67 2.06 2.06 2.06 2.06 1.82 1.82 1.81 1.81 1.79 1.79 1.55 1.55 1.54 1.54 1.51 1.51 1.14 1.10 1 1 1 1 1 1 1 1 3 3 3 3 3 3 3 3 1 1 3 3 3 3 3 1 P:y P:y P:x P:x P:x P:x P:y P:y D:xy D:xy D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 P:y P:y D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 D:xy P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 23 37 29 20 30 39 29 20 10 3 6 8 3 10 12 5 30 39 12 5 6 8 9 25 O O O O O O O O W W W W W W W W O O W W W W W O -5.450 2.00 496 A 4.50 3.58 3.42 3.42 3.42 2.93 2.70 2.70 2.54 2.54 2.19 2.19 1.83 1.49 1.49 1.49 1.49 1.49 1.49 1.48 1.48 1.48 1.48 1.47 1.47 1.42 1.38 1.38 1.14 1.14 1.07 1.07 1 1 1 1 1 3 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 3 3 P:y P:y P:y P:x P:x D:xy P:x P:x P:x P:x D:x2-y2 D:x2-y2 P:y P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z D:yz P:x P:x P:y P:y D:xz D:xz -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 23 25 37 29 20 9 27 18 30 39 2 11 41 24 22 31 38 21 28 19 26 34 36 33 40 13 32 35 20 29 7 4 O O O O O W O O O O W W O O O O O O O O O O O O O W O O O O W W -5.405 2.00 497 A 8.80 6.89 5.65 5.63 4.84 4.83 2.22 2.21 2.10 2.09 1.91 1.85 1.77 1.77 1.71 1.64 1.49 1.49 1.43 1.39 1.37 1.26 1.16 1.16 1.16 1.16 1.13 1.06 1.05 1.02 1 1 1 1 1 1 3 3 1 1 3 1 1 1 1 1 1 3 3 3 1 1 1 3 1 3 1 1 1 1 P:y P:y P:z P:z P:z P:z D:z2 D:z2 P:y P:y D:xy P:z P:y P:y P:z P:x P:x D:yz D:z2 D:z2 P:z P:z P:x D:yz P:z D:yz P:z P:z P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 1.33 1.33 25 41 26 19 33 40 8 6 26 19 9 24 33 40 22 27 18 13 2 11 31 38 32 4 34 7 21 36 35 28 O O O O O O W W O O W O O O O O O W W W O O O W O W O O O O -5.405 2.00 498 A 5.12 4.98 4.63 4.52 4.11 4.00 3.95 3.82 3.77 3.67 3.60 3.49 2.19 2.14 1.88 1.87 1.83 1.81 1.76 1.59 1.53 1.52 1.46 1.38 1.37 1.29 1.27 1.25 1.21 -1.14 1.13 -1.11 1.09 1.06 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 1 1 1 1 3 3 3 3 3 3 1 1 6 1 6 1 3 3 P:x P:x P:z P:z P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x D:z2 D:z2 D:z2 P:x P:x P:y P:y D:z2 D:z2 D:xz D:xz D:x2-y2 D:x2-y2 P:y P:y S P:y S P:y D:xz D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -6.463 -9.955 -6.463 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 2.00 1.33 2.00 1.33 0.80 0.80 18 27 28 21 35 32 22 24 36 34 38 31 28 21 9 5 12 36 34 18 27 3 10 7 4 2 11 22 24 9 35 13 32 13 13 O O O O O O O O O O O O O O W W W O O O O W W W W W W O O W O W O W W -4.981 2.00 499 A 21.44 4.50 2.72 2.63 2.63 2.33 2.16 2.01 2.01 2.01 2.00 1.92 1.71 1.42 1.42 1.19 1.19 1.15 1.03 1.02 1.02 1.01 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20 29 30 39 41 33 40 O O O O O O O O W W Si O W W Si O O O W W W W O O O O O O O -4.667 2.00 502 A 9.36 9.35 5.59 5.58 4.41 4.41 3.72 3.71 2.74 2.73 2.02 2.02 1.76 1.76 1.30 1.29 1.29 1.29 1.06 1.06 1.05 1.05 1 1 1 1 3 3 1 1 1 1 1 1 3 3 3 3 1 1 1 1 1 1 P:x P:x P:x P:x D:z2 D:z2 P:z P:z P:y P:y P:z P:z D:x2-y2 D:x2-y2 D:z2 D:z2 P:y P:y P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 20 29 30 39 8 6 19 26 20 29 33 40 8 6 10 3 19 26 24 22 33 40 O O O O W W O O O O O O W W W W O O O O O O -4.666 2.00 503 A 15.70 8.57 3.49 3.49 3.44 3.43 3.03 3.03 2.74 2.73 2.13 2.13 1.75 1.75 1.58 1.58 1.47 1.47 1.30 1.30 1.27 1.27 1.26 1.26 1.18 1.18 1 1 3 3 1 1 3 3 1 1 1 1 1 1 3 3 1 1 1 1 3 3 1 1 1 1 P:y P:y D:z2 D:z2 P:z P:z D:z2 D:z2 P:x P:x P:z P:z P:z P:z D:xy D:xy P:y P:y P:y P:y D:x2-y2 D:x2-y2 P:z P:z P:x P:x -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 23 37 5 12 28 21 3 10 29 20 22 24 38 31 3 10 39 30 29 20 5 12 36 34 28 21 O O W W O O W W O O O O O O W W O O O O W W O O O O -4.664 2.00 504 A 7.95 6.18 6.18 6.12 4.39 4.39 3.98 3.39 3.39 3.29 2.03 2.03 2.00 2.00 1.95 1.85 1.85 1.52 1.52 1.51 1.51 1.29 1.29 1.08 1.08 1.01 1.01 1.01 1.01 1 1 1 1 1 1 3 3 3 3 1 1 1 1 3 3 3 1 1 1 1 3 3 3 3 1 1 1 1 P:y P:x P:x P:y P:x P:x D:xy D:x2-y2 D:x2-y2 D:yz P:z P:z P:y P:y D:xy D:xz D:xz P:y P:y P:z P:z D:x2-y2 D:x2-y2 D:xy D:xy P:y P:z P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 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1.18 1.16 1.16 1.16 1.08 1.08 1.07 1.07 1.07 1.07 1 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 3 3 3 3 3 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z D:x2-y2 P:x P:y P:y P:y P:y P:x P:x D:xy D:xy D:z2 D:z2 D:z2 P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 19 26 21 28 24 22 16 41 32 35 13 41 31 38 21 28 24 22 7 4 4 7 13 40 33 31 38 34 36 O O O O O O O O O O W O O O O O O O W W W W W O O O O O O -4.388 2.00 508 A 2.96 2.96 2.80 2.77 2.77 2.67 2.67 2.36 2.34 2.34 2.28 2.28 2.26 2.26 2.21 2.13 2.13 2.12 2.12 1.91 1.85 1.85 1.70 1.70 1.69 1.69 1.67 1.67 1.61 1.40 1.40 1.25 1.25 1.15 1.01 1.01 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 3 3 1 1 1 3 3 3 3 1 1 1 1 1 3 3 1 1 1 1 1 P:y P:y P:x P:z P:z P:z P:z D:x2-y2 P:x P:x P:z P:z P:y P:y P:z D:xz D:xz P:z P:z P:z D:yz D:yz D:xy D:xy P:z P:z P:x P:x P:z D:yz D:yz P:y P:y P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 24 22 25 34 36 31 38 9 19 26 33 40 18 27 37 6 8 30 39 16 12 5 11 2 29 20 21 28 23 3 10 36 34 41 35 32 O O O O O O O W O O O O O O O W W O O O W W W W O O O O O W W O O O O O -4.379 2.00 509 A 6.56 5.78 4.95 3.93 3.92 2.99 2.87 2.85 2.45 2.31 2.30 2.21 2.17 2.01 1.98 1.68 1.67 1.44 1.40 1.30 1.29 1.27 1.27 1.14 1.14 1.13 1.10 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:z P:z P:y P:z P:z D:xy 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53 21 28 25 47 44 7 4 1 13 O O O O O O O O O O O O O O O O O O O W W Si W -3.952 2.00 513 A 11.15 4.89 4.89 4.20 4.20 3.99 2.25 1.89 1.89 1.63 1.63 1.53 1.53 1.34 1.20 1.20 1.20 1.20 1.20 1.20 1.20 1.18 1.18 1.08 1 1 1 1 1 1 3 1 1 1 1 1 1 3 1 1 3 3 1 3 3 1 1 1 P:y P:y P:y P:z P:z P:y D:yz P:y P:y P:x P:x P:y P:y D:yz P:z P:z D:xz D:xz D:yz D:yz D:yz P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -4.382 11.469 -4.382 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 0.80 0.00 0.80 0.80 1.33 1.33 1.33 16 26 19 17 14 25 13 39 30 22 24 44 47 9 35 32 7 4 1 8 6 33 40 53 O O O O O O W O O O O O O W O O W W Si W W O O O -3.912 2.00 514 A 4.48 4.48 3.81 3.40 3.17 3.17 3.02 3.02 2.44 2.43 2.42 2.42 2.36 2.36 2.31 2.31 1.44 1.44 1.43 1.43 1.36 1.36 1.16 1.16 1.15 1.15 1.05 1.05 -1.01 1.01 1 1 1 1 3 3 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 1 1 1 1 1 3 3 2 1 P:x P:x P:z P:x D:yz D:yz P:y P:y P:z P:x P:x P:x P:y P:y P:z P:z P:z P:z D:xy D:xy P:x P:x P:x P:x P:y P:y D:xz D:xz P:x P:z -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -3.913 -9.955 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.67 1.33 17 14 37 23 10 3 31 38 41 16 20 29 21 28 19 26 22 24 5 12 34 36 45 52 24 22 12 5 1 15 O O O O W W O O O O O O O O O O O O W W O O O O O O W W Si O -3.910 2.00 515 A 7.21 3.09 3.09 2.83 2.83 2.75 2.75 2.52 2.52 2.49 2.45 2.45 2.20 2.14 1.83 1.83 1.68 1.68 1.25 1.25 1.12 1.12 1.10 1.08 1.08 -1.04 1.04 1.04 1.03 1.03 1.02 1.02 1 1 1 1 1 1 1 3 3 1 1 1 3 1 1 1 1 1 3 3 1 1 3 1 1 2 1 1 1 1 3 3 P:y P:y P:y P:z P:z P:x P:x D:xz D:xz P:y P:z P:z D:xy P:y P:z P:z P:x P:x D:xz D:xz P:z P:z D:yz P:x P:x P:y P:y P:y P:y P:y 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O O O O W W W W W O O O W W O O O O O O O O O O -3.200 2.00 522 A 4.62 3.66 3.66 3.50 3.50 3.06 2.99 2.99 2.55 2.55 2.30 2.30 2.16 2.04 2.04 1.99 1.99 1.86 1.86 1.67 1.67 1.63 1.63 1.42 1.42 1.17 1.17 1.17 1.17 1.15 1.15 1 1 1 1 1 3 1 1 1 1 3 3 1 3 3 1 1 1 1 3 3 1 1 3 3 1 1 1 1 1 1 P:y P:y P:y P:x P:x D:yz P:x P:x P:x P:x D:xz D:xz P:y D:yz D:yz P:y P:y P:x P:x D:xz D:xz P:x P:x D:xz D:xz P:y P:y P:y P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 15 40 33 17 14 9 31 38 34 36 11 2 49 6 8 46 48 52 45 12 5 42 51 3 10 17 14 34 36 50 43 O O O O O W O O O O W W O W W O O O O W W O O W W O O O O O O -3.194 2.00 523 A 4.16 3.38 3.16 3.16 3.00 3.00 2.58 2.53 2.53 2.51 2.51 2.31 2.31 2.18 2.18 2.16 2.16 1.91 1.91 1.63 1.63 1.35 1.30 1.03 1.03 1.02 1.02 1 1 1 1 3 3 1 1 1 1 1 3 3 1 1 3 3 1 1 1 1 3 1 1 1 3 3 P:x P:x P:y P:y D:x2-y2 D:x2-y2 P:x P:y P:y P:x P:x D:xy D:xy P:y P:y D:xy D:xy P:y P:y P:y P:y D:xz P:x P:x P:x D:yz D:yz -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 0.80 0.80 23 37 29 20 3 10 41 39 30 46 48 12 5 43 50 6 8 35 32 52 45 13 25 29 20 4 7 O O O O W W O O O O O W W O O W W O O O O W O O O W W -2.996 2.00 524 A 6.12 4.05 4.05 4.05 2.80 2.80 2.80 2.12 2.11 1.86 1.84 1.83 1.75 1.75 1.65 1.49 1.49 1.47 1.47 1.38 1.38 1.30 1.30 1.21 1.21 1.05 1.05 1.02 1.01 1 3 1 3 1 1 1 1 1 1 3 3 3 3 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x D:xy P:z D:xy P:x P:z P:x P:x P:x P:z D:xz D:xz D:yz 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-4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 49 53 42 51 47 44 52 45 50 43 48 46 9 2 11 12 5 51 42 10 3 13 44 47 8 6 O O O O O O O O O O O O W W W W W O O W W W O O W W -1.519 2.00 557 A 12.08 6.26 6.26 6.03 4.35 4.35 3.96 3.95 3.42 3.37 2.68 2.67 2.48 2.48 1.87 1.79 1.56 1.56 1.40 1.40 1 1 1 1 1 1 1 1 3 1 1 1 1 1 3 3 3 3 3 3 P:x P:z P:z P:z P:z P:z P:x P:x D:z2 P:x P:z P:z P:x P:x D:z2 D:x2-y2 D:xz D:xz D:xz D:xz -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 49 50 43 53 52 45 42 51 13 53 47 44 44 47 9 9 10 3 12 5 O O O O O O O O W O O O O O W W W W W W -1.517 2.00 558 A 9.08 9.08 7.22 7.22 5.63 5.61 2.97 2.96 2.65 2.65 2.59 2.59 2.55 2.45 2.45 2.19 1.44 1.44 1.11 1.11 1.04 1 1 1 1 1 1 1 1 3 3 3 3 1 1 1 1 3 3 1 1 1 P:y P:y P:z P:z P:z P:z P:y P:y D:z2 D:z2 D:yz D:yz P:y P:z P:z P:y D:z2 D:z2 P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 51 42 48 46 47 44 44 47 4 7 8 6 53 45 52 49 11 2 43 50 41 O O O O O O O O W W W W O O O O W W O O O -1.516 2.00 559 A 9.32 7.10 6.84 6.82 4.37 4.37 3.77 3.77 2.91 2.91 2.12 2.12 1.77 1.70 1.47 1.47 1.37 1.27 1.27 1.24 1.24 1.19 1.17 1.17 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:y P:y P:x P:x P:x P:x P:z P:z P:x P:z P:z P:z P:z P:y P:y P:y P:y P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 53 16 44 47 48 46 50 43 45 52 42 51 15 49 14 17 15 52 45 14 17 53 47 44 O O O O O O O O O O O O O O O O O O O O O O O O -1.506 2.00 560 A 11.47 11.47 9.80 9.80 7.28 7.28 4.28 4.28 3.67 3.67 3.39 3.39 2.15 2.15 1.74 1.74 1.63 1.63 1 1 1 1 1 1 1 1 3 3 3 3 3 3 1 1 3 3 P:y P:y P:x P:x P:x P:x P:y P:y D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy P:y P:y D:x2-y2 D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 45 52 48 46 50 43 43 50 10 3 8 6 5 12 46 48 5 12 O O O O O O O O W W W W W W O O W W -1.473 2.00 561 A 8.55 8.55 7.57 5.69 4.78 4.78 4.39 3.26 3.26 2.99 2.26 2.14 1.95 1.84 1.84 1.40 1.40 1.35 1.35 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:x P:x P:x P:x P:y P:y P:x P:z P:x P:z P:z P:z P:y P:y P:y P:y -9.955 -9.955 -9.955 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44 47 17 14 44 47 48 46 17 14 45 52 42 51 50 43 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -1.310 2.00 563 A 5.40 4.09 4.09 4.00 2.98 2.98 2.74 2.41 2.41 2.27 2.27 2.06 2.06 2.04 2.04 2.04 2.04 2.04 2.04 1.86 1.58 1.58 1.57 1.57 1.57 1.57 1.40 1.40 1.38 1.38 1.34 1.34 1.12 1.12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:y P:x P:x P:y P:y P:y P:x P:x P:z P:z P:z P:z P:x P:x P:z P:z P:y P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 39 30 23 29 20 49 36 34 38 31 33 40 38 31 42 51 36 34 41 26 19 21 28 24 22 40 33 32 35 39 30 33 40 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -1.236 2.00 564 A 5.34 5.34 3.89 3.75 3.75 3.24 3.23 3.22 3.06 3.06 3.01 3.01 2.72 2.72 2.63 2.63 2.52 2.52 2.51 2.51 1.99 1.90 1.90 1.66 1.39 1.33 1.33 1.20 1.20 1.11 1.11 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:x P:y P:y P:x P:z P:z P:x P:x P:y P:y P:z P:z P:z P:z P:y P:y P:x P:x P:x P:x P:x P:z P:x P:y P:y P:x P:x P:x P:x P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 31 38 25 18 27 53 34 36 47 44 35 32 21 28 24 22 22 24 32 35 41 27 18 41 16 31 38 51 42 34 36 23 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -1.234 2.00 565 A 6.67 6.26 5.64 5.64 3.77 3.77 3.55 3.55 3.17 3.17 3.01 3.00 3.00 2.69 2.69 2.20 2.20 1.66 1.66 1.53 1.50 1.50 1.44 1.24 1.24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:z P:x P:x P:z P:z P:y P:y P:y P:x P:x P:z P:z P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 25 33 40 18 27 26 19 44 47 53 35 32 36 34 28 21 40 33 49 26 19 16 32 35 O O O O O O O O O O O O O O O O O O O O O O O O O -1.133 2.00 566 A 9.51 7.59 7.22 7.22 5.66 5.66 2.37 2.37 2.24 1.89 1.89 1.65 1.65 1.60 1.60 1.59 1.59 1.58 1.58 1.50 1.46 1.46 1.44 1.44 1.44 1.44 1.12 1.12 1.07 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:z P:z P:y P:z P:z P:z P:z P:z P:z P:x P:x P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 23 39 30 29 20 39 30 25 20 29 18 27 26 19 28 21 22 24 53 33 40 38 31 36 34 44 47 41 22 24 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -1.050 2.00 567 A 3.57 3.57 3.56 3.02 2.85 2.83 2.79 2.79 2.43 2.43 2.33 2.33 2.33 2.28 2.28 2.27 2.27 2.12 2.12 1.41 1.41 1.31 1.31 1.23 1.23 1.11 1.11 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:x P:z P:x P:z P:z P:y P:y P:z P:z P:z P:x P:x P:y P:y P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 27 18 25 23 49 37 42 51 40 33 41 35 32 34 36 29 20 39 30 31 38 28 21 26 19 31 38 16 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -1.002 2.00 568 A 10.00 6.60 6.41 5.24 4.38 4.38 2.54 2.54 2.41 2.41 2.32 2.13 2.13 2.10 2.10 1.83 1.82 1.48 1.48 1.43 1.40 1.20 1.20 1.14 1.14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:z P:y P:y P:x P:x P:y P:y P:z P:x P:x P:z P:z P:x P:x P:z P:z P:x D:xz P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 11.469 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 1.33 16 15 53 49 46 48 47 44 14 17 53 17 14 43 50 43 50 14 17 15 1 42 51 24 22 O O O O O O O O O O O O O O O O O O O O Si O O O O -1.000 2.00 569 A 9.90 5.65 4.81 4.81 4.80 4.80 3.85 3.85 3.36 3.36 2.39 2.39 2.18 2.18 1.62 1.59 1.59 1.53 1.53 1.43 1.43 1.39 1.30 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x P:x P:x P:y P:y P:y P:z P:z P:z P:z P:z P:z D:yz P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 11.469 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 1.33 1.33 1.33 16 15 44 47 17 14 51 42 52 45 14 17 50 43 53 44 47 45 52 48 46 1 49 50 43 O O O O O O O O O O O O O O O O O O O O O Si O O O -0.978 2.00 570 A 5.28 4.88 4.88 4.64 4.07 4.07 3.76 3.76 3.75 3.75 3.74 3.56 3.56 3.10 3.10 2.81 1.34 1.28 1.09 1.06 1.06 1.00 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 44 47 53 17 14 48 46 45 52 15 50 43 51 42 49 37 23 41 35 32 30 39 O O O O O O O O O O O O O O O O O O O O O O O -0.951 2.00 571 A 7.27 7.27 7.14 7.14 5.84 5.02 4.87 4.87 4.67 4.67 3.64 3.64 3.56 3.42 3.42 2.89 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x D:x2-y2 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 11.469 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 52 45 14 17 49 15 46 48 51 42 43 50 53 44 47 16 1 O O O O O O O O O O O O O O O O Si -0.950 2.00 572 A 7.76 6.84 6.84 5.70 5.70 5.49 5.49 5.45 5.45 4.23 3.60 3.60 3.42 3.41 3.41 3.00 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y D:xy -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 11.469 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.00 15 50 43 17 14 48 46 42 51 49 44 47 53 45 52 16 1 O O O O O O O O O O O O O O O O Si -0.646 2.00 573 A 4.94 4.15 3.86 3.70 3.70 3.68 3.68 3.43 3.43 3.09 3.09 3.03 3.03 2.90 2.90 2.51 2.51 2.08 2.08 1.65 1.44 1.44 1.24 1.24 1.23 1.23 1.20 1.20 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:y P:y P:x P:x P:x P:x P:x P:y P:y P:x P:x P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 16 25 21 28 32 35 36 34 40 33 26 19 18 27 22 24 31 38 37 31 38 32 35 30 39 22 24 O O O O O O O O O O O O O O O O O O O O O O O O O O O O -0.624 2.00 574 A 5.12 5.12 4.81 4.81 3.96 3.96 3.63 3.63 3.56 3.56 3.45 3.45 2.75 2.75 2.65 2.58 2.58 1.95 1.95 1.68 1.68 1.66 1.44 1.44 1.26 1.26 1.25 1.25 1.21 1.21 1.13 1.13 1.07 1.07 1 1 1 1 1 1 1 1 1 1 1 1 3 3 1 3 3 1 1 3 3 1 1 1 1 1 1 1 3 3 1 1 1 1 P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y D:xz D:xz P:y D:yz D:yz P:x P:x D:yz D:yz P:y P:x P:x P:x P:x P:x P:x D:xz D:xz P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 33 40 19 26 38 31 24 22 34 36 28 21 8 6 41 12 5 35 32 3 10 25 34 36 21 28 27 18 3 10 38 31 24 22 O O O O O O O O O O O O W W O W W O O W W O O O O O O O W W O O O O -0.590 2.00 575 A 10.50 8.50 4.39 3.37 2.82 2.63 2.62 2.62 2.60 2.47 2.47 2.20 2.20 1.97 1.77 1.77 1.74 1.74 1.27 1.10 1.10 1.06 1.06 1.06 1.06 1.02 1 1 1 1 1 3 1 1 3 1 1 1 1 1 1 1 1 1 3 1 1 1 1 1 1 1 P:z P:x P:z P:x P:x D:x2-y2 P:z P:z D:x2-y2 P:y P:y P:x P:x P:z P:y P:y P:x P:x D:xz P:z P:z P:z P:z P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 41 25 25 15 9 39 30 13 33 40 32 35 15 22 24 31 38 13 27 18 26 19 43 50 49 O O O O O W O O W O O O O O O O O O W O O O O O O O -0.587 2.00 576 A 7.78 7.78 5.97 5.97 3.34 3.34 2.03 2.03 1.99 1.99 1.57 1.57 1.53 1.53 1.50 1.50 1.42 1.42 1.28 1.28 1.07 1.07 1.03 1.03 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 3 3 3 3 1 1 3 3 1 1 P:z P:z P:y P:y P:z P:z P:y P:y P:y P:y P:y P:y P:z P:z P:x P:x D:xy D:xy D:xy D:xy P:x P:x D:xz D:xz P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 30 39 35 32 18 27 18 27 14 17 36 34 14 17 21 28 7 4 2 11 36 34 6 8 22 24 O O O O O O O O O O O O O O O O W W W W O O W W O O -0.456 2.00 577 A 6.96 5.59 4.92 4.38 3.75 2.43 2.08 2.07 1.96 1.96 1.86 1.86 1.85 1.85 1.76 1.76 1.69 1.69 1.63 1.63 1.53 1.53 1.44 1.43 1.40 1.40 1.35 1.28 1.28 1.25 1.25 1.24 1.24 1.15 1.15 1.12 1.12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:x P:x P:z P:z P:z P:x P:x P:y P:y P:z P:z P:z P:z P:y P:y P:x P:x P:x P:x P:z P:z P:z P:z P:x P:z P:z P:x P:x P:z P:z P:x P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 41 37 16 25 53 25 49 21 28 33 40 40 33 17 14 31 38 27 18 47 44 34 36 32 35 15 50 43 35 32 39 30 50 43 19 26 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -0.454 2.00 578 A 5.21 5.21 4.41 4.20 4.20 3.78 3.78 2.99 2.99 2.72 2.72 2.66 2.22 2.20 2.20 1.82 1.82 1.56 1.56 1.54 1.54 1.52 1.52 1.35 1.35 1.10 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:z P:z P:z P:z P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:z P:z P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 14 17 16 35 32 30 39 18 27 34 36 53 41 38 31 47 44 42 51 24 22 18 27 52 45 25 O O O O O O O O O O O O O O O O O O O O O O O O O O -0.364 2.00 579 A 9.75 7.30 7.30 6.47 4.84 4.84 2.85 2.85 2.65 2.65 2.48 2.48 1.60 1.60 1.59 1.59 1.58 1.33 1.33 1.22 1.22 1.18 1.18 1.14 1.14 1.13 1.13 1.13 1.13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:y P:x P:x P:y P:y P:x P:x P:y P:y P:x P:x P:y P:y P:y P:y P:y P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 17 14 49 42 51 48 46 45 52 14 17 43 50 51 42 53 43 50 26 19 34 36 47 44 21 28 33 40 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -0.298 2.00 580 A 8.05 8.05 8.02 5.53 4.09 4.09 3.82 2.90 2.90 2.46 2.46 2.34 2.34 1.96 1.95 1.95 1.40 1.40 1.36 1.36 1.27 1.23 1.23 1.22 1.22 1.19 1.18 1.18 1.02 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:x P:y P:y P:x P:y P:y P:y P:y P:x P:x P:z P:z P:z P:x P:x P:x P:x P:z P:z P:z P:y P:y P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 20 29 23 37 39 30 23 20 29 31 38 36 34 49 42 51 40 33 30 39 41 35 32 40 33 15 14 17 37 30 39 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -0.272 2.00 581 A 7.87 7.87 7.86 4.90 4.25 3.60 3.60 3.31 3.25 3.25 3.23 3.23 2.47 2.47 2.28 2.28 1.47 1.47 1.36 1.36 1.35 1.19 1.19 1.10 1.10 1.09 1.09 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:x P:x P:y P:y P:z P:z P:z P:y P:y P:y P:y P:x P:x P:x P:x P:z P:z P:z P:x P:x P:y P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 20 29 23 37 23 30 39 37 30 39 29 20 22 24 21 28 19 26 32 35 41 30 39 19 26 29 20 O O O O O O O O O O O O O O O O O O O O O O O O O O O -0.075 2.00 582 A 9.81 8.72 3.99 3.54 3.54 3.09 2.82 2.82 2.71 1.97 1.97 1.91 1.91 1.87 1.86 1.66 1.66 1.61 1.55 1.55 1.53 1.52 1.42 1.42 1.39 1.30 1.30 1.30 1.29 1.25 1.25 1.24 1.24 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:z P:x P:x P:z P:y P:y P:x P:z P:z P:x P:x P:y P:y P:y P:y P:z P:x P:x P:z P:x P:x P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 37 25 48 46 15 40 33 23 40 33 34 36 39 30 50 43 53 21 28 41 41 47 44 15 19 26 50 43 19 26 40 33 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O -0.074 2.00 583 A 9.69 4.78 4.78 4.27 4.27 3.43 3.43 3.00 3.00 2.58 2.58 2.34 2.33 2.31 2.31 1.80 1.80 1.74 1.73 1.69 1.51 1.51 1.50 1.49 1.20 1.20 1.18 1.18 1.15 1.15 1.13 1.13 1.13 1.13 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:x P:x P:z P:z P:x P:x P:y P:y P:y P:z P:z P:z P:z P:y P:y P:z P:z P:x P:x P:x P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 30 39 45 52 38 31 18 27 22 24 36 34 14 17 30 39 20 29 53 38 31 36 34 35 32 47 44 28 21 43 50 35 32 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.075 2.00 584 A 8.85 3.83 3.83 3.45 2.77 2.76 2.73 2.73 2.50 2.49 2.21 2.20 2.20 2.19 2.18 2.14 2.14 2.03 2.03 1.83 1.83 1.59 1.43 1.43 1.42 1.42 1.32 1.32 1.20 1.20 1.16 1.06 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:z P:z P:z P:z P:z P:y P:y P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:z P:z P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 25 19 26 41 34 36 52 45 40 33 15 33 40 46 48 36 34 17 14 42 51 41 34 36 27 18 38 31 40 33 23 45 52 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.076 2.00 585 A 5.12 5.11 5.04 5.04 3.28 3.28 2.86 2.85 2.78 2.78 2.56 2.56 2.50 2.50 2.31 2.18 2.18 2.03 1.94 1.67 1.67 1.66 1.66 1.57 1.57 1.48 1.48 1.41 1.41 1.35 1.35 1.15 1.15 1.12 1.11 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z P:y P:y P:y P:y P:y P:y P:y P:z P:z P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:z P:z P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 18 27 38 31 50 43 36 34 28 21 35 32 31 38 49 14 17 15 53 22 24 33 40 33 40 22 24 18 27 35 32 51 42 48 46 48 46 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.109 2.00 586 A 12.98 8.27 4.01 3.01 3.01 2.95 2.95 2.66 2.66 2.46 2.03 2.03 1.89 1.89 1.73 1.73 1.68 1.68 1.53 1.52 1.52 1.51 1.51 1.49 1.42 1.42 1.31 1.31 1.23 1.23 1.07 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:y P:y P:z P:z P:y P:y P:z P:z P:z P:z P:z P:z P:z P:x P:x P:z P:x P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 41 53 44 47 48 46 32 35 53 35 32 19 26 28 21 28 21 25 38 31 14 17 49 38 31 38 31 43 50 16 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.112 2.00 587 A 7.02 7.02 6.18 6.18 3.82 2.97 2.97 2.68 2.68 2.67 2.67 2.48 2.48 2.43 2.43 1.89 1.89 1.86 1.86 1.84 1.84 1.77 1.26 1.26 1.18 1.18 1.15 1.15 1.12 1.12 1.08 1.08 1.06 1.04 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:z P:z P:y P:x P:x P:x P:x P:z P:z P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:y P:y P:y P:z P:z P:z P:z P:x P:x P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 32 35 32 35 53 44 47 32 35 45 52 40 33 22 24 47 44 50 43 36 34 15 42 51 26 19 18 27 36 34 24 22 16 47 44 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.246 2.00 588 A 9.06 6.94 5.30 5.30 5.28 4.83 3.86 3.60 3.59 2.73 2.73 2.66 2.66 2.13 1.75 1.75 1.56 1.56 1.54 1.54 1.36 1.36 1.02 1.02 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:y P:y P:z P:z P:z P:x P:x P:y P:y P:z P:z P:x P:x P:x P:x P:x P:z P:z P:x P:x P:x P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 37 19 26 53 41 15 22 24 50 43 46 48 53 38 31 34 36 19 26 44 47 33 40 22 24 O O O O O O O O O O O O O O O O O O O O O O O O O O 0.248 2.00 589 A 9.97 4.11 4.11 3.43 3.43 3.07 3.07 2.72 2.72 2.62 2.62 2.45 2.45 2.15 2.06 2.06 1.97 1.96 1.89 1.89 1.72 1.72 1.61 1.61 1.60 1.60 1.54 1.54 1.32 1.32 1.28 1.28 1.20 1.20 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:y P:y P:x P:x P:z P:z P:y P:y P:z P:z P:y P:y P:y P:z P:z P:z P:z P:y P:y P:z P:z P:y P:y P:z P:z P:x P:x P:y P:y P:x P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 21 28 21 28 24 22 47 44 30 39 50 43 53 38 31 52 45 21 28 40 33 35 32 52 45 14 17 46 48 34 36 30 39 15 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.249 2.00 590 A 6.61 6.61 6.10 4.08 4.08 4.04 4.04 3.34 2.90 2.81 2.78 2.78 2.39 2.19 2.19 2.15 2.15 1.85 1.77 1.67 1.49 1.49 1.49 1.49 1.46 1.46 1.12 1.08 1.08 1.06 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:y P:y P:z P:x P:x P:z P:z P:x P:y P:y P:z P:z P:z P:z P:z P:x P:x P:y P:y P:y P:y P:x P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 32 35 16 17 14 44 47 41 53 49 44 47 41 39 30 27 18 37 15 25 48 46 35 32 42 51 25 30 39 16 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.327 2.00 591 A 5.53 5.53 5.49 5.09 5.09 5.06 4.69 4.35 4.35 3.92 3.92 3.52 3.52 3.23 3.23 2.03 2.02 2.02 1.98 1.98 1.28 1.28 1.21 1.21 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:x P:x P:x P:x P:y P:y P:y P:y P:y P:y P:y P:y P:z P:z P:z P:x P:x P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 27 18 25 46 48 23 49 52 45 29 20 51 42 43 50 15 14 17 43 50 29 20 51 42 O O O O O O O O O O O O O O O O O O O O O O O O 0.336 2.00 592 A 6.00 5.99 4.36 3.42 3.41 2.96 2.96 2.74 2.74 2.43 2.43 2.28 2.28 2.28 2.28 2.21 2.21 2.16 2.16 2.13 2.13 2.12 1.85 1.69 1.69 1.59 1.44 1.07 1.07 1.04 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:y P:y P:x P:x P:z P:z P:y P:y P:y P:y P:y P:y P:z P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:x P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 40 33 37 45 52 36 34 43 50 34 36 43 50 21 28 45 52 43 50 31 38 23 49 39 30 16 53 19 26 29 20 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.337 2.00 593 A 5.24 5.23 5.03 5.03 4.04 4.03 3.47 3.47 3.23 3.23 2.70 2.70 2.25 2.25 1.93 1.93 1.75 1.75 1.68 1.61 1.61 1.27 1.27 1.17 1.17 1.16 1.16 1.06 1.06 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:y P:y P:y P:y P:z P:z P:y P:y P:x P:x P:x P:x P:y P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:x P:x P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 31 38 48 46 36 34 30 39 46 48 26 19 24 22 38 31 52 45 16 40 33 33 40 52 45 47 44 29 20 37 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.408 2.00 594 A 12.16 7.12 5.68 5.68 5.48 3.47 3.47 3.31 3.22 3.22 2.99 2.99 2.09 2.09 1.71 1.70 1.43 1.36 1.36 1.27 1.27 1.23 1.23 1.12 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:y P:y P:x P:y P:y P:z P:x P:x P:z P:z P:z P:z P:y P:y P:z P:y P:y P:x P:x P:z P:z P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 25 23 42 51 49 52 45 49 51 42 18 27 43 50 20 29 23 50 43 38 31 46 48 25 O O O O O O O O O O O O O O O O O O O O O O O O 0.408 2.00 595 A 10.13 9.10 9.10 5.61 5.61 3.82 3.82 3.54 3.54 2.49 2.49 2.10 2.10 1.71 1.71 1.33 1.33 1.24 1.24 1.10 1.10 1.07 1.07 1.05 1.05 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z P:x P:x P:y P:y P:x P:x P:y P:y P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 49 27 18 42 51 46 48 29 20 51 42 45 52 29 20 43 50 36 34 33 40 48 46 29 20 O O O O O O O O O O O O O O O O O O O O O O O O O 0.449 2.00 596 A 5.60 5.60 5.59 5.59 5.55 5.55 3.38 3.38 3.30 3.30 2.67 2.08 2.08 1.96 1.89 1.89 1.89 1.89 1.76 1.76 1.65 1.65 1.64 1.64 1.61 1.61 1.58 1.58 1.52 1.52 1.31 1.19 1.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:x P:x P:y P:y P:y P:x P:x P:y P:y P:y P:y P:y P:x P:x P:z P:z P:z P:z P:z P:z P:x P:x P:x P:x P:y P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 48 46 52 45 50 43 21 28 26 19 53 47 44 49 24 22 33 40 36 34 26 19 21 28 24 22 24 22 51 42 15 38 31 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.460 2.00 597 A 9.18 6.04 5.87 5.11 4.98 4.98 3.56 3.56 3.30 3.30 3.08 3.08 1.81 1.81 1.53 1.52 1.51 1.48 1.48 1.30 1.30 1.26 1.26 1.18 1.18 1.16 1.13 1.13 1.13 1.13 1.09 1.09 1.00 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:x P:x P:x P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 15 23 15 14 17 19 26 24 22 28 21 29 20 25 17 14 48 46 39 30 40 33 39 30 53 34 36 44 47 28 21 43 50 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.461 2.00 598 A 5.74 5.74 5.13 5.13 4.98 4.53 4.53 4.37 4.37 3.54 3.54 3.37 3.37 2.91 2.91 1.86 1.86 1.29 1.28 1.15 1.15 1.12 1.12 1.12 1.11 1.11 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:y P:z P:z P:y P:y P:y P:y P:y P:y P:y P:y P:y P:y P:x P:x P:z P:z P:y P:z P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 39 14 17 15 14 17 20 29 28 21 24 22 19 26 38 31 30 39 18 27 53 26 19 47 44 O O O O O O O O O O O O O O O O O O O O O O O O O O 0.485 2.00 599 A 3.41 3.33 3.33 3.30 3.30 3.24 3.24 3.23 3.23 3.00 3.00 2.90 2.14 2.09 2.04 2.04 1.61 1.61 1.59 1.59 1.56 1.56 1.54 1.54 1.46 1.46 1.39 1.39 1.25 1.25 1.22 1.22 1.15 1.15 1.15 1.15 1.14 1.14 1.10 1.08 1.08 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:z P:x P:z P:z P:z P:z P:z P:z P:y P:y P:z P:z P:y P:y P:x P:x P:y P:y P:x P:x P:z P:z P:z P:z P:z P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 30 39 48 46 45 52 43 50 29 20 23 15 53 17 14 24 22 26 19 44 47 28 21 26 19 22 24 40 33 36 34 33 40 36 34 38 31 53 44 47 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.551 2.00 600 A 8.91 8.12 4.66 4.66 4.21 3.77 3.77 3.21 2.65 2.65 2.65 2.48 2.48 2.28 2.28 1.66 1.66 1.58 1.52 1.52 1.49 1.49 1.21 1.21 1.13 1.04 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:x P:x P:x P:x P:y P:y P:z P:x P:x P:x P:y P:y P:z P:z P:z P:z P:x P:y P:y P:x P:x P:y P:y P:z P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 25 23 51 42 25 42 51 15 41 17 14 52 45 18 27 52 45 49 20 29 36 34 50 43 23 17 14 O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.551 2.00 601 A 10.58 6.80 6.79 4.84 4.60 4.60 3.87 3.87 2.65 2.65 2.58 2.58 2.42 2.42 1.70 1.70 1.66 1.66 1.53 1.53 1.18 1.18 1.07 1.07 1.00 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:z P:z P:y P:y P:y P:x P:x P:y P:y P:x P:x P:z P:z P:z P:z P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 49 27 18 15 29 20 42 51 27 18 46 48 17 14 46 48 32 35 29 20 43 50 14 17 38 31 O O O O O O O O O O O O O O O O O O O O O O O O O O 0.576 2.00 602 A 4.37 3.46 3.46 3.33 3.29 3.29 3.10 3.10 2.96 2.95 2.74 2.74 2.66 2.26 2.26 2.04 2.04 1.98 1.98 1.82 1.77 1.77 1.76 1.76 1.74 1.74 1.73 1.43 1.43 1.09 1.07 1.07 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:z P:x P:x P:z P:z P:y P:y P:x P:x P:x P:y P:y P:y P:y P:y P:y P:z P:y P:y P:z P:z P:z P:z P:z P:x P:x P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 49 42 51 25 31 38 18 27 36 34 46 48 23 52 45 20 29 40 33 41 50 43 35 32 51 42 49 40 33 53 51 42 37 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.579 2.00 603 A 12.81 9.56 9.56 3.23 3.23 3.18 3.18 2.69 2.69 2.66 2.66 2.62 2.62 2.55 2.19 2.19 1.91 1.91 1.50 1.50 1.40 1.40 1.27 1.04 1.04 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:x P:x P:y P:y P:y P:y P:x P:x P:x P:x P:y P:y P:y P:x P:x P:x P:x P:y P:y P:x P:x P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 15 14 17 26 19 17 14 38 31 22 24 33 40 53 21 28 47 44 34 36 34 36 49 21 28 O O O O O O O O O O O O O O O O O O O O O O O O O 0.623 2.00 604 A 12.11 5.16 5.14 4.63 4.62 4.44 4.31 4.01 3.98 3.98 3.64 3.62 2.44 2.43 2.42 2.41 1.77 1.77 1.52 1.27 1.22 1.22 1.15 1.14 1.14 1.14 1.09 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:x P:x P:x P:x P:x P:z P:z P:y P:y P:y P:y P:z P:z P:z P:z P:z P:z P:x P:x P:z P:z P:z P:y P:y P:z P:z P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 47 44 21 28 23 41 15 44 47 19 26 46 48 52 45 21 28 53 41 19 26 32 45 52 35 25 17 14 O O O O O O O O O O O O O O O O O O O O O O O O O O O O O 0.623 2.00 605 A 12.22 11.75 4.06 4.05 3.35 3.34 3.19 3.19 3.19 3.19 2.98 2.97 2.81 2.80 2.36 2.35 2.19 2.18 1.97 1.97 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:z P:z P:z P:z P:x P:x P:z P:z P:y P:y P:y P:y P:y P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 16 53 44 47 35 32 50 43 24 22 14 17 24 22 20 29 26 19 24 22 O O O O O O O O O O O O O O O O O O O O 0.771 2.00 606 A 17.40 8.73 8.71 6.50 6.47 5.63 4.23 4.19 3.77 3.03 1.41 1.41 1.36 1.35 1.13 1.07 1.07 1.05 1.05 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:y P:y P:x P:x P:z P:z P:z P:z P:x P:x P:x P:z P:z P:x P:x P:x P:x P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 23 21 28 19 26 37 29 20 41 25 33 40 39 30 23 21 28 27 18 38 31 O O O O O O O O O O O O O O O O O O O O O 0.772 2.00 607 A 13.23 13.20 6.49 6.48 4.33 4.32 4.29 4.27 3.76 3.75 2.68 2.67 2.15 2.14 1.13 1.13 1.10 1.06 1.04 1.00 1.00 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:z P:z P:x P:x P:x P:x P:z P:z P:y P:y P:z P:z P:y P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 20 29 24 22 30 39 26 19 24 22 35 32 18 27 40 33 41 28 21 38 31 O O O O O O O O O O O O O O O O O O O O O 0.821 2.00 608 A 6.25 6.24 5.78 5.78 5.69 5.69 5.63 5.63 4.60 4.60 4.33 4.33 2.55 2.37 2.37 2.22 2.22 1.99 1.63 1.63 1.54 1.54 1.50 1.50 1.19 1.19 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:y P:y P:x P:x P:y P:y P:x P:x P:y P:y P:y P:x P:x P:x P:x P:y P:x P:x P:x P:x P:x P:x P:x P:x -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 21 28 24 22 26 19 31 38 40 33 34 36 37 24 22 31 38 23 39 30 21 28 34 36 29 20 O O O O O O O O O O O O O O O O O O O O O O O O O O 0.827 2.00 609 A 9.65 9.32 9.32 5.22 3.58 3.37 3.13 3.13 3.06 2.67 2.17 2.17 1.99 1.96 1.96 1.74 1.74 1.59 1.58 1.12 1.12 1.06 1.06 1.05 1.01 1.01 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:y P:y P:x P:z P:z P:x P:x P:z P:z P:y P:y P:x P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y P:x P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 41 36 34 25 23 41 33 40 37 25 28 21 23 22 24 38 31 32 35 32 35 27 18 37 28 21 O O O O O O O O O O O O O O O O O O O O O O O O O O 0.829 2.00 610 A 6.41 6.41 5.92 5.92 4.26 4.26 4.15 4.15 3.24 3.24 2.56 2.56 2.32 2.32 2.12 2.12 2.02 2.02 1.99 1.99 1.64 1.64 1.14 1.14 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:z P:z P:z P:z P:z P:z P:z P:z P:y P:y P:y P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 35 32 33 40 19 26 31 38 18 27 35 32 20 29 30 39 18 27 33 40 31 38 26 19 O O O O O O O O O O O O O O O O O O O O O O O O 0.973 2.00 611 A 9.81 9.78 9.78 3.59 3.59 3.13 3.13 2.94 2.93 2.93 2.81 2.81 2.49 2.49 2.21 2.21 1.49 1.49 1.28 1.16 1.03 1.03 1.03 1.03 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:z P:y P:y P:z P:z P:z P:x P:x P:x P:x P:y P:y P:x P:x P:x P:x P:x P:x P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 37 30 39 21 28 35 32 41 26 19 22 24 34 36 40 33 31 38 53 25 31 38 22 24 O O O O O O O O O O O O O O O O O O O O O O O O 1.189 2.00 612 A 13.23 11.76 6.41 5.68 5.67 3.84 3.23 3.23 3.03 3.03 2.76 2.76 2.72 2.72 2.55 2.39 2.39 1.93 1.42 1.42 1.15 1.15 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:x P:z P:x P:y P:y P:z P:x P:x P:z P:z P:x P:x P:y P:y P:z P:x P:x P:z P:y P:y P:y P:y -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 25 37 41 36 34 23 22 24 39 30 38 31 28 21 41 27 18 25 27 18 38 31 O O O O O O O O O O O O O O O O O O O O O O 1.192 2.00 613 A 8.96 8.96 8.69 8.68 4.53 4.53 4.00 4.00 3.18 3.18 2.82 2.82 2.36 2.36 1.96 1.96 1.91 1.91 1.76 1.76 1.43 1.43 1.43 1.43 1.33 1.33 1.02 1.02 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 P:z P:z P:y P:y P:x P:x P:y P:y P:x P:x P:z P:z P:x P:x P:y P:y P:z P:z P:y P:y P:x P:x P:z P:z P:y P:y P:z P:z -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 1.33 30 39 18 27 33 40 35 32 19 26 20 29 31 38 21 28 35 32 33 40 18 27 18 27 19 26 40 33 O O O O O O O O O O O O O O O O O O O O O O O O O O O O 5.837 0.00 614 A 9.38 9.06 9.06 7.01 5.76 5.38 5.38 3.46 2.86 2.86 2.05 1.94 1.94 1.88 1.82 1.82 1.74 1.74 3 3 3 1 3 3 3 3 3 3 3 1 1 3 3 3 1 1 D:x2-y2 D:xz D:xz P:z D:x2-y2 D:yz D:yz D:xz D:xz D:xz D:xz P:x P:x D:z2 D:xy D:xy P:z P:z -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 0.80 0.80 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 1.33 1.33 9 8 6 37 13 10 3 13 10 3 9 41 25 13 11 2 39 30 W W W O W W W W W W W O O W W W O O 5.838 0.00 615 A 10.04 10.04 5.26 5.26 5.18 5.18 3.60 3.60 2.43 2.43 2.03 2.03 1.86 1.85 1.82 1.82 1.76 1.76 1.60 1.60 1.43 1.42 1.25 1.25 1.19 1.19 1.16 1.16 3 3 1 1 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 D:yz D:yz P:z P:z 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20 29 9 41 7 4 W W W W W O O O W O O W W W W W W O W O O W O W W 7.279 0.00 621 A 10.20 10.20 8.06 8.06 6.95 6.95 4.50 4.50 3.92 3.92 2.97 2.97 2.82 2.82 2.06 2.06 1.82 1.82 3 3 3 3 3 3 1 1 1 1 3 3 1 1 3 3 1 1 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy P:x P:x P:y P:y D:x2-y2 D:x2-y2 P:y P:y D:x2-y2 D:x2-y2 P:x P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 0.80 0.80 1.33 1.33 3 10 6 8 5 12 46 48 52 45 12 5 43 50 6 8 43 50 W W W W W W O O O O W W O O W W O O 7.303 0.00 622 A 6.46 6.10 4.26 4.26 4.13 4.04 3.60 3.17 3.17 2.96 2.95 2.44 2.44 2.39 2.16 2.16 2.16 2.16 2.15 1.89 1.89 1.81 1.81 1.74 1.74 1.59 1.58 1.09 1.03 1.03 3 3 3 3 3 3 1 3 3 3 3 3 3 1 1 1 1 1 1 1 1 1 1 3 3 3 3 1 3 3 D:z2 D:xz D:xz D:xz D:z2 D:x2-y2 P:x D:xz D:xz D:xz D:xz D:xy D:xy P:x P:z P:z P:x P:x P:z P:x P:x P:z P:z D:yz D:yz D:z2 D:z2 P:z D:z2 D:z2 -4.382 -4.382 -4.382 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W W O O W O W W O W O O O 7.594 0.00 627 A 5.87 5.87 5.39 5.39 5.26 5.26 4.61 3.54 3.54 2.22 2.22 2.15 1.84 1.84 1.79 1.79 1.25 1.25 1.22 1.22 1.19 1.19 1.15 1.15 1.15 1.15 1.05 1.05 3 3 3 3 3 3 3 3 3 1 1 1 3 3 1 1 1 1 3 3 1 1 1 3 1 3 1 1 D:xy D:xy D:x2-y2 D:x2-y2 D:z2 D:z2 D:yz D:yz D:yz P:y P:y P:y D:x2-y2 D:x2-y2 P:y P:y P:y P:y D:z2 D:z2 P:y P:y P:z D:x2-y2 P:z D:x2-y2 P:x P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 -9.955 -4.382 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 1.33 0.80 0.80 1.33 1.33 1.33 0.80 1.33 0.80 1.33 1.33 12 5 10 3 4 7 9 2 11 52 45 49 12 5 42 51 44 47 11 2 50 43 44 2 47 11 50 43 W W W W W W W W W O O O W W O O O O W W O O O W O W O O 7.633 0.00 628 A 5.63 5.63 5.14 4.32 4.32 4.14 4.14 3.92 3.92 3.25 3.25 3.23 1.61 1.53 1.53 1.53 1.50 1.50 1.44 1.44 1.44 1.44 1.43 1.43 1.34 1.34 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O O O W W W W W W O O 7.849 0.00 632 A 7.86 7.82 6.02 5.89 5.15 4.84 3.77 2.77 2.73 2.55 2.51 1.76 1.74 1.28 1.28 1.25 1.24 1.15 1.15 1.07 1.04 3 3 3 3 3 3 1 1 1 1 1 3 3 3 3 3 3 3 3 3 3 D:yz D:yz D:xz D:xz D:yz D:xy P:y P:z P:z P:z P:z D:z2 D:z2 D:yz D:xz D:yz D:xz D:xz D:xz D:xz D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 10 3 12 5 13 13 53 50 43 52 45 11 2 11 6 2 8 2 11 10 3 W W W W W W O O O O O W W W W W W W W W W 7.849 0.00 633 A 7.14 7.13 4.02 3.89 3.50 3.50 3.18 3.14 3.05 2.96 2.92 2.49 2.44 2.33 2.20 2.17 1.77 1.75 1.72 1.15 1.12 1.03 3 3 3 3 1 1 3 3 3 3 3 3 3 3 1 1 1 3 3 3 3 1 D:yz D:yz D:xz D:xz P:z P:z D:xz D:xz D:xz D:x2-y2 D:x2-y2 D:xz D:xz D:z2 P:x P:x P:x D:xz D:xz D:yz D:yz P:z -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 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1.81 1.79 1.79 1.63 1.63 1.48 1.48 1.11 1.01 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 1 3 3 3 3 3 4 D:yz D:yz D:xz D:xz D:xz D:xz D:yz D:yz D:yz D:yz P:z P:z P:z P:z P:z P:z D:xz D:xz D:xz D:xz D:xy D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 4.723 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 1.33 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.00 6 8 12 5 10 3 3 10 9 13 46 48 52 45 43 50 11 2 7 4 13 13 W W W W W W W W W W O O O O O O W W W W W W 8.977 0.00 646 A 6.28 5.99 5.99 5.53 2.54 2.53 2.53 2.38 2.38 2.24 2.24 1.90 1.90 1.64 1.64 1.59 1.42 1.42 1.21 1.21 1.18 1.18 1.12 1.12 1.06 1.06 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 3 3 1 1 1 1 1 1 D:xy D:xz D:xz D:yz D:yz D:z2 D:z2 D:z2 D:z2 D:xz D:xz D:xz D:xz D:xy D:xy P:y P:z P:z D:xz D:xz P:z P:z P:x P:x P:x P:x -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 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2.10 2.10 2.07 1.87 1.87 1.82 1.52 1.52 1.51 1.51 1.42 1.37 1.37 1.28 1.28 1.20 1.20 1.17 1.17 1.16 1.16 1.16 1.16 1.05 3 3 3 3 3 3 3 1 3 3 3 1 1 3 3 3 3 3 3 3 1 1 3 3 3 3 1 1 4 D:x2-y2 D:xy D:xy D:yz D:yz D:xz D:xz P:x D:x2-y2 D:x2-y2 D:x2-y2 P:y P:y D:z2 D:z2 D:z2 D:xy D:xy D:xz D:xz P:x P:x D:xy D:xy D:yz D:yz P:y P:y D:x2-y2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 4.723 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 0.80 0.80 0.80 0.80 1.33 1.33 0.00 9 11 2 5 12 3 10 25 2 11 13 18 27 11 2 9 7 4 8 6 38 31 8 6 8 6 36 34 9 W W W W W W W O W W W O O W W W W W W W O O W W W W O O W 9.152 0.00 649 A 4.92 4.92 4.92 3.66 3.66 3.40 3.40 2.20 2.20 1.70 1.70 1.69 1.61 1.61 1.41 1.27 1.27 1.26 1.09 1.09 1.06 1.06 3 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 1 1 1 1 3 3 D:z2 D:z2 D:z2 D:yz 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O O W W O O O O W W O W W W W O W 10.227 0.00 657 A 5.63 5.62 5.55 4.76 4.76 4.74 4.74 4.73 4.73 3.49 3.44 3.44 3.43 3.43 3.40 3.40 3.37 3.37 3.34 3.22 3.22 3.10 3.10 3.07 -1.21 -1.20 -1.20 7 7 7 7 7 7 7 7 7 7 6 6 6 6 6 6 7 7 6 6 6 6 6 6 5 5 5 S S S S S S S S S S S S S S S S S S S S S S S S P:z P:z P:z 1.678 1.678 1.678 1.678 1.678 1.678 1.678 1.678 1.678 1.678 -6.463 -6.463 -6.463 -6.463 -6.463 -6.463 1.678 1.678 -6.463 -6.463 -6.463 -6.463 -6.463 -6.463 0.094 0.094 0.094 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 4 7 13 8 6 3 10 5 12 9 8 6 3 10 5 12 2 11 9 2 11 4 7 13 9 11 2 W W W W W W W W W W W W W W W W W W W W W W W W W W W 10.338 0.00 658 A 14.02 14.01 10.00 8.18 8.17 5.59 5.56 5.43 4.06 4.04 2.60 2.58 1.97 1.94 -1.94 -1.94 1.58 1.49 1.47 1.41 1.40 1.40 1.39 -1.17 -1.17 7 7 7 6 6 7 7 6 6 6 7 7 7 7 5 5 6 7 3 6 3 3 6 5 5 S S S S S S S S S S S S S S P:x P:x S S D:xz S D:z2 D:z2 S P:y P:y 1.678 1.678 1.678 -6.463 -6.463 1.678 1.678 -6.463 -6.463 -6.463 1.678 1.678 1.678 1.678 0.094 0.094 -6.463 1.678 -4.382 -6.463 -4.382 -4.382 -6.463 0.094 0.094 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.80 2.00 0.80 0.80 2.00 0.00 0.00 6 8 9 6 8 12 5 9 12 5 11 2 10 3 12 5 13 13 9 11 8 6 2 6 8 W W W W W W W W W W W W W W W W W W W W W W W W W 10.339 0.00 659 A 12.94 12.91 9.14 9.10 8.28 8.26 6.84 6.82 4.65 4.63 3.61 3.60 -1.49 -1.49 1.33 1.33 -1.28 -1.27 1.19 1.19 1.04 7 7 7 7 6 6 7 7 6 6 6 6 5 5 3 3 5 5 3 3 3 S S S S S S S S S S S S P:y P:y D:z2 D:z2 P:x P:x D:xy D:xy D:yz 1.678 1.678 1.678 1.678 -6.463 -6.463 1.678 1.678 -6.463 -6.463 -6.463 -6.463 0.094 0.094 -4.382 -4.382 0.094 0.094 -4.382 -4.382 -4.382 0.00 0.00 0.00 0.00 2.00 2.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.80 0.80 0.00 0.00 0.80 0.80 0.80 3 10 5 12 3 10 2 11 5 12 2 11 10 3 5 12 8 6 3 10 9 W W W W W W W W W W W W W W W W W W W W W 10.373 0.00 660 A 14.17 14.12 11.24 11.20 9.53 9.50 8.88 8.85 2.03 2.03 1.70 1.54 1.53 1.52 1.51 -1.39 -1.38 -1.31 -1.31 -1.04 -1.04 1.03 1.03 7 7 7 7 6 6 6 6 7 7 3 7 7 3 3 5 5 5 5 5 5 3 3 S S S S S S S S S S D:yz S S D:yz D:yz P:y P:y P:z P:z P:y P:y D:z2 D:z2 1.678 1.678 1.678 1.678 -6.463 -6.463 -6.463 -6.463 1.678 1.678 -4.382 1.678 1.678 -4.382 -4.382 0.094 0.094 0.094 0.094 0.094 0.094 -4.382 -4.382 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.80 0.00 0.00 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 7 4 2 11 2 11 7 4 3 10 9 5 12 7 4 7 4 6 8 2 11 5 12 W W W W W W W W W W W W W W W W W W W W W W W 10.374 0.00 661 A 18.45 13.99 12.00 11.59 4.66 4.62 3.47 3.43 3.00 2.97 2.87 2.85 2.85 2.84 2.48 -2.12 1.47 1.47 -1.27 -1.27 1.10 1.10 -1.04 7 7 6 6 7 7 7 7 6 6 6 7 7 6 3 5 6 6 5 5 7 7 5 S S S S S S S S S S S S S S D:xz P:x S S P:z P:z S S P:x 1.678 1.678 -6.463 -6.463 1.678 1.678 1.678 1.678 -6.463 -6.463 -6.463 1.678 1.678 -6.463 -4.382 0.094 -6.463 -6.463 0.094 0.094 1.678 1.678 0.094 0.00 0.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 0.00 0.00 2.00 0.80 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 13 9 9 13 4 7 11 2 11 2 4 6 8 7 13 13 6 8 3 10 12 5 9 W W W W W W W W W W W W W W W W W W W W W W W 10.388 0.00 662 A 7.80 7.80 6.13 6.13 5.47 5.47 2.29 2.29 1.53 1.53 1.49 1.46 1.25 1.23 1.23 1.10 1.10 1.10 1.10 1.06 1.04 3 3 3 3 3 3 3 3 3 3 3 1 1 7 7 1 1 1 1 7 3 D:x2-y2 D:x2-y2 D:xy D:xy D:xy D:xy D:x2-y2 D:x2-y2 D:x2-y2 D:x2-y2 S P:x P:x S S P:x P:x P:y P:y S D:xz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -12.276 -9.955 -9.955 1.678 1.678 -9.955 -9.955 -9.955 -9.955 1.678 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 1.33 1.33 0.00 0.00 1.33 1.33 1.33 1.33 0.00 0.80 6 8 12 5 10 3 3 10 12 5 1 37 23 11 2 52 45 30 39 9 13 W W W W W W W W W W Si O O W W O O O O W W 10.694 0.00 663 A 12.98 12.98 12.87 12.87 12.85 12.85 6.27 6.27 6.17 6.17 6.16 6.16 -1.70 -1.70 -1.32 -1.32 -1.20 -1.20 -1.13 -1.13 -1.01 -1.01 6 6 6 6 6 6 7 7 7 7 7 7 5 5 5 5 5 5 4 4 4 4 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2.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.80 0.00 0.00 2.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 13 9 13 9 3 10 10 3 4 7 11 2 4 5 7 11 12 2 13 9 8 6 8 10 3 6 9 13 3 10 37 W W W W W W W W W W W W W W W W W W W W W W W W W W W W W W O 10.802 0.00 665 A 12.88 12.65 9.61 9.44 7.24 7.12 6.66 6.54 6.14 6.05 5.53 5.42 4.21 4.16 3.35 3.28 -1.46 -1.43 1.32 -1.28 1.27 -1.26 1.25 -1.23 -1.23 -1.06 1.05 -1.04 6 6 6 6 7 7 7 7 6 6 6 6 7 7 7 7 5 5 3 5 3 5 3 4 4 5 3 5 S S S S S S S S S S S S S S S S P:z P:z D:yz P:y D:z2 P:y D:z2 D:z2 D:z2 P:z D:xy P:z -6.463 -6.463 -6.463 -6.463 1.678 1.678 1.678 1.678 -6.463 -6.463 -6.463 -6.463 1.678 1.678 1.678 1.678 0.094 0.094 -4.382 0.094 -4.382 0.094 -4.382 4.723 4.723 0.094 -4.382 0.094 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 2.00 2.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.80 0.00 0.80 0.00 0.00 0.00 0.80 0.00 7 4 2 11 7 4 2 11 6 8 12 5 12 5 6 8 7 4 13 6 2 8 11 6 8 2 9 11 W W W W W W W W W W W W W W W W W W W W W W W W W W W W 10.909 0.00 666 A 5.97 4.58 4.58 3.42 3.25 3.24 3.06 3.05 2.45 2.34 2.14 2.08 1.99 1.90 1.90 1.64 1.64 1.44 1.44 1.26 1.26 1.18 1.18 1.09 1.08 1.04 3 3 3 3 3 3 3 3 7 1 6 6 5 3 3 3 3 3 3 3 3 3 3 3 3 2 D:z2 D:z2 D:z2 D:xz D:x2-y2 D:x2-y2 D:z2 D:z2 S P:z S S P:z D:xy D:xy D:xy D:xy D:z2 D:z2 D:yz D:yz D:yz D:yz D:xz D:xz S -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.678 -9.955 -6.463 -6.463 0.094 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -27.198 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 1.33 2.00 2.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 2.00 9 12 5 9 4 7 10 3 13 49 9 13 9 4 7 10 3 2 11 7 4 2 11 4 7 15 W W W W W W W W W O W W W W W W W W W W W W W W W O 10.911 0.00 667 A 6.87 4.83 4.83 4.44 4.43 2.97 2.22 2.21 1.91 1.90 1.79 1.79 1.74 1.74 1.55 1.55 1.49 1.49 1.48 1.47 1.44 1.43 1.36 1.36 1.34 1.33 1.32 1.31 1.25 1.25 1.17 1.17 1.03 3 3 3 3 3 3 3 3 3 3 7 7 1 1 6 6 5 5 6 6 3 3 5 5 3 3 3 3 3 3 1 1 1 D:xy D:z2 D:z2 D:z2 D:z2 D:yz D:z2 D:z2 D:x2-y2 D:x2-y2 S S P:z P:z S S P:z P:z S S D:yz D:yz P:y P:y D:x2-y2 D:x2-y2 D:xz D:xz D:xz D:xz P:y P:y P:y -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.678 1.678 -9.955 -9.955 -6.463 -6.463 0.094 0.094 -6.463 -6.463 -4.382 -4.382 0.094 0.094 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 1.33 1.33 2.00 2.00 0.00 0.00 2.00 2.00 0.80 0.80 0.00 0.00 0.80 0.80 0.80 0.80 0.80 0.80 1.33 1.33 1.33 13 6 8 11 2 13 3 10 7 4 4 7 51 42 11 2 11 2 4 7 11 2 8 6 8 6 7 4 2 11 48 46 25 W W W W W W W W W W W W O O W W W W W W W W W W W W W W W W O O O 11.029 0.00 668 A 6.17 6.17 5.95 5.95 5.89 5.89 2.86 2.86 2.85 2.85 2.83 2.83 1.75 1.69 1.43 1.43 1.43 1.24 1.24 1.15 1.05 1.05 1.02 3 3 3 3 3 3 7 7 7 7 7 7 3 3 3 3 1 3 3 1 1 1 3 D:z2 D:z2 D:z2 D:z2 D:z2 D:z2 S S S S S S D:xy D:xy D:x2-y2 D:x2-y2 P:y D:x2-y2 D:x2-y2 P:y P:x P:x D:yz -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.678 1.678 1.678 1.678 1.678 1.678 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -4.382 -9.955 -9.955 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.80 0.80 0.80 1.33 0.80 0.80 1.33 1.33 1.33 0.80 6 8 5 12 10 3 6 8 5 12 3 10 9 13 4 7 41 11 2 15 32 35 13 W W W W W W W W W W W W W W W W O W W O O O W 11.136 0.00 669 A 7.36 5.38 5.38 4.26 3.21 3.21 2.97 2.97 2.91 2.21 1.80 1.80 1.65 1.65 1.58 -1.56 1.54 1.54 1.51 1.48 1.38 1.38 1.36 -1.35 1.32 1.17 1.09 1.09 1.09 1.09 1.07 1.01 1.01 1.01 1.01 1.00 1.00 3 3 3 3 3 3 3 3 3 3 3 3 3 3 1 2 1 1 1 2 1 1 1 3 5 1 3 3 5 5 5 1 1 1 1 1 1 D:xz D:yz D:yz D:xz D:yz D:yz D:z2 D:z2 D:z2 D:x2-y2 D:xz D:xz D:xy D:xy P:z P:z P:z P:z P:z S P:z P:z P:z S P:x P:x D:xz D:xz P:z P:z P:z P:z P:z P:z P:z P:z P:z -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -3.913 -9.955 -9.955 -9.955 -27.198 -9.955 -9.955 -9.955 23.286 0.094 -9.955 -4.382 -4.382 0.094 0.094 0.094 -9.955 -9.955 -9.955 -9.955 -9.955 -9.955 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 1.33 0.67 1.33 1.33 1.33 2.00 1.33 1.33 1.33 0.00 0.00 1.33 0.80 0.80 0.00 0.00 0.00 1.33 1.33 1.33 1.33 1.33 1.33 13 7 4 9 11 2 11 2 9 13 4 7 7 4 53 1 47 44 16 16 51 42 49 16 13 53 11 2 11 2 9 28 21 24 22 26 19 W W W W W W W W W W W W W W O Si O O O O O O O O W O W W W W W O O O O O O 11.201 0.00 670 A 9.68 9.65 4.56 4.54 3.63 3.49 3.47 3.25 3.23 3.01 2.98 2.18 2.02 2.01 1.53 1.30 1.22 1.15 1.15 1.02 3 3 3 3 3 3 3 3 3 3 3 7 1 1 2 2 2 1 1 3 D:xy D:xy D:z2 D:z2 D:xz D:xy D:xy D:z2 D:z2 D:x2-y2 D:x2-y2 S P:x P:x S P:x S P:y P:y D:z2 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.678 -9.955 -9.955 -27.198 -3.913 -27.198 -9.955 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.80 0.00 1.33 1.33 2.00 0.67 2.00 1.33 1.33 0.80 10 3 12 5 13 12 5 10 3 12 5 9 29 20 37 1 23 30 39 9 W W W W W W W W W W W W O O O Si O O O W 11.202 0.00 671 A 10.12 10.11 5.09 5.08 3.07 3.07 3.04 2.48 2.00 1.98 1.89 1.87 1.86 1.85 1.66 1.66 1.27 1.16 1.16 1.14 1.13 1.02 3 3 3 3 3 1 3 1 3 3 3 3 3 3 7 7 2 2 2 1 1 3 D:x2-y2 D:x2-y2 D:z2 D:z2 D:x2-y2 P:y D:x2-y2 P:y D:z2 D:z2 D:xy D:xy D:yz D:yz S S P:y S S P:x P:x D:xy -4.382 -4.382 -4.382 -4.382 -4.382 -9.955 -4.382 -9.955 -4.382 -4.382 -4.382 -4.382 -4.382 -4.382 1.678 1.678 -3.913 -27.198 -27.198 -9.955 -9.955 -4.382 0.80 0.80 0.80 0.80 0.80 1.33 0.80 1.33 0.80 0.80 0.80 0.80 0.80 0.80 0.00 0.00 0.67 2.00 2.00 1.33 1.33 0.80 8 6 6 8 5 23 12 37 3 10 5 12 4 7 11 2 1 39 30 30 39 3 W W W W W O W O W W W W W W W W Si O O O O W