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789 lines
54 KiB
789 lines
54 KiB
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$orca_opt_file |
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|
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$trust |
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0.300000000000 |
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|
|
$epredict |
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0.000000000000 |
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|
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$ediffsc |
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1000.000000000000 |
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|
|
$ctyp |
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3 |
|
|
|
$coordinates |
|
3 36 |
|
2.61288653 -0.41908456 0.01052577 0.95684393 -2.46996654 -0.01536347 |
|
-1.64670735 -2.06091642 -0.02753331 -2.59502862 0.39856214 -0.00842818 |
|
-0.93887264 2.44900948 0.01999330 1.66482983 2.04001605 0.02668293 |
|
4.64154533 -0.73782467 0.01814137 1.69553788 -4.38584649 -0.02672073 |
|
-2.93691787 -3.65837751 -0.05119268 -4.62334727 0.71699989 -0.01574142 |
|
-1.67749099 4.36532406 0.03615046 2.95509704 3.63745825 0.04484320 |
|
|
|
2.59550649 -0.41643815 0.01036785 0.95059732 -2.45337629 -0.01616171 |
|
-1.63568287 -2.04709654 -0.02637120 -2.57753162 0.39582279 -0.00841789 |
|
-0.93258418 2.43251905 0.01884428 1.65382183 2.02632143 0.02742870 |
|
4.61219663 -0.73330531 0.01783196 1.68493943 -4.35810299 -0.02863830 |
|
-2.91832796 -3.63515895 -0.04859871 -4.59420509 0.71241063 -0.01568095 |
|
-1.66681407 4.33733453 0.03371620 2.93645989 3.61442347 0.04703701 |
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|
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2.59388908 -0.41622532 0.01034226 0.95003032 -2.45180768 -0.01642596 |
|
-1.63471042 -2.04583567 -0.02605385 -2.57586432 0.39554159 -0.00842982 |
|
-0.93199846 2.43099668 0.01854548 1.65282602 2.02508075 0.02770048 |
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4.61075286 -0.73308274 0.01772377 1.68439784 -4.35672268 -0.02958857 |
|
-2.91745011 -3.63404503 -0.04754841 -4.59274904 0.71216783 -0.01572644 |
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-1.66627328 4.33595684 0.03269999 2.93552530 3.61332910 0.04811831 |
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# redundant internal coordinates |
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# nbonds nangles ndihedrals nimpropers ncartesians |
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# bond definitions A B |
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# angle definitions A B C |
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# dihedral definitions A B C D |
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# improper torsion definitions A B C D |
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# cartesian definitions A x/y/z |
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$redundant_internals |
|
12 18 24 0 0 |
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1 0 0 |
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2 1 0 |
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3 2 0 |
|
4 3 0 |
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5 4 0 |
|
5 0 0 |
|
6 0 0 |
|
7 1 0 |
|
8 2 0 |
|
9 3 0 |
|
10 4 0 |
|
11 5 0 |
|
1 0 5 0 0 |
|
1 0 6 0 0 |
|
5 0 6 0 0 |
|
2 1 7 0 0 |
|
0 1 2 0 0 |
|
0 1 7 0 0 |
|
3 2 8 0 0 |
|
1 2 8 0 0 |
|
1 2 3 0 0 |
|
4 3 9 0 0 |
|
2 3 9 0 0 |
|
2 3 4 0 0 |
|
3 4 10 0 0 |
|
3 4 5 0 0 |
|
5 4 10 0 0 |
|
0 5 4 0 0 |
|
4 5 11 0 0 |
|
0 5 11 0 0 |
|
7 1 0 5 0 |
|
7 1 0 6 0 |
|
2 1 0 6 0 |
|
2 1 0 5 0 |
|
8 2 1 0 0 |
|
3 2 1 0 0 |
|
3 2 1 7 0 |
|
8 2 1 7 0 |
|
9 3 2 8 0 |
|
9 3 2 1 0 |
|
4 3 2 8 0 |
|
4 3 2 1 0 |
|
10 4 3 2 0 |
|
5 4 3 9 0 |
|
5 4 3 2 0 |
|
10 4 3 9 0 |
|
11 5 4 10 0 |
|
0 5 4 10 0 |
|
0 5 4 3 0 |
|
11 5 0 6 0 |
|
11 5 0 1 0 |
|
11 5 4 3 0 |
|
4 5 0 6 0 |
|
4 5 0 1 0 |
|
$energies |
|
3 |
|
-15.8788484754799999 |
|
-15.8796359048200006 |
|
-15.8796406113999993 |
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|
|
$gradients |
|
3 36 |
|
0.0064018160793736 -0.0008229451415805 0.0000260966823487 0.0021803146107729 |
|
-0.0061542978497816 0.0000049452388562 -0.0039050482885651 -0.0050614621002014 |
|
-0.0001218965954347 -0.0065626845075318 0.0010371472824853 -0.0000251452776693 |
|
-0.0021547143969915 0.0059717090910768 0.0001045708426146 0.0039680418697520 |
|
0.0049535638574042 0.0000176960611633 0.0043782680781490 -0.0006979952561195 |
|
0.0000224205130562 0.0015811699369878 -0.0040851994213401 0.0000094067688575 |
|
-0.0027764670085239 -0.0034396855777557 -0.0000856428740190 -0.0042656113389818 |
|
0.0006730817772657 -0.0000155060301103 -0.0016234011707950 0.0042026080424502 |
|
0.0000707744157942 0.0027783161363538 0.0034234752960966 -0.0000077197454574 |
|
|
|
0.0010040025823895 -0.0000670205344290 0.0000018036084095 0.0002867953631190 |
|
-0.0009842350184835 -0.0000137658828775 -0.0005390260895022 -0.0007728409062354 |
|
-0.0000030723682150 -0.0010444805899158 0.0001789077900104 -0.0000040206256170 |
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-0.0003098934823978 0.0009135483550405 -0.0000006879957278 0.0005877852508803 |
|
0.0007306345414987 0.0000200289790264 -0.0000661848886922 -0.0000012381340454 |
|
0.0000029372635074 -0.0000171236024680 0.0000701496281870 0.0000220386669648 |
|
0.0000365685375400 0.0000528706378343 -0.0000223758573212 0.0000796162050068 |
|
-0.0000114134291758 0.0000011533483257 0.0000140486721613 -0.0000560579426239 |
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0.0000228663559333 -0.0000321079581210 -0.0000533049875778 -0.0000269054924086 |
|
|
|
0.0000831512555905 0.0000326279035727 -0.0000008012802187 -0.0000117734440296 |
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-0.0000927190185813 -0.0000087986377071 0.0000040924975157 -0.0000453490952724 |
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0.0000082655018806 -0.0000957196433499 0.0000239860337539 -0.0000003463606999 |
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-0.0000105420939887 0.0000566602506760 -0.0000088271019431 0.0000278083088741 |
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0.0000319095541218 0.0000105376222142 -0.0000558443048920 -0.0000006297393995 |
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0.0000010359767700 -0.0000129312894485 0.0000550539357266 0.0000102156181436 |
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0.0000288231670055 0.0000437892334748 -0.0000101121807344 0.0000568855589559 |
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-0.0000094171283497 0.0000006829462579 0.0000148170145674 -0.0000520344773025 |
|
0.0000102008661905 -0.0000287670268006 -0.0000438774524204 -0.0000120529701534 |
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|
|
|
|
$redundant_coords |
|
3 54 |
|
2.6361457162075697 2.6355169116962252 2.6360411666939112 2.6359049155609657 |
|
2.6356378515282941 2.6355736411282118 2.0535602686671370 2.0533859089446578 |
|
2.0535542068948041 2.0531762283892818 2.0537964121469758 2.0535191323951199 |
|
2.0943690206252423 2.0942462591680893 2.0945700271643926 2.0945900542236648 |
|
2.0942604979360615 2.0943346923528616 2.0942271368555865 2.0943710175086663 |
|
2.0945870837148055 2.0944999558542530 2.0944847709909471 2.0942005798926995 |
|
2.0943285783333003 2.0944055189977058 2.0944511278140747 2.0945441592971261 |
|
2.0944129513777892 2.0942281790264974 -3.1409007959481121 0.0006692243952694 |
|
-3.1405430469509117 0.0010722398852930 3.1396291757999273 -0.0023629922223151 |
|
3.1396100997049299 -0.0015830394524139 0.0008209980596377 -3.1403721742764490 |
|
-3.1407397195227502 0.0012524153207496 -3.1408787397940499 -3.1404115583924921 |
|
0.0011491589098491 0.0007458500831950 -0.0018037440807685 3.1395879819330403 |
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-0.0024399475668991 0.0011509374980560 -3.1404643535694485 3.1393536335988785 |
|
-3.1402408099455466 0.0013292061665352 |
|
2.6183099456077135 2.6180169377554821 2.6182544247495159 2.6181533497651932 |
|
2.6181226548841052 2.6180403867283126 2.0414454841106418 2.0414205375805325 |
|
2.0414736518395489 2.0413849532549797 2.0414790522876323 2.0414732306742209 |
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2.0943608165681371 2.0942790631824955 2.0945454264101362 2.0945468210268277 |
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2.0943126044524494 2.0943258734460830 2.0942441108886349 2.0943956663214847 |
|
2.0945455202094738 2.0944809139534084 2.0944462916952289 2.0942581015276747 |
|
2.0943332811323501 2.0944138839157489 2.0944381289198617 2.0944793524103975 |
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2.0944154489622711 2.0942904847212875 -3.1411253975873739 0.0004187539214947 |
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-3.1413119539406944 0.0003292017300233 3.1407199235972292 -0.0007225845047829 |
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3.1407319971990377 -0.0010108018785364 0.0005460048386643 -3.1411967811039503 |
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-3.1410438987331459 0.0003986225038258 -3.1410992488504452 -3.1412711682630610 |
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0.0003187352537693 0.0004961548123106 -0.0011074641467900 3.1407058726038941 |
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-0.0007121009268049 0.0006572845276977 -3.1409838786027757 3.1406598695020973 |
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-3.1411560363032307 0.0003881077458822 |
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2.6165977391000435 2.6164461868950983 2.6165634412521643 2.6165053146676804 |
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2.6165185233609063 2.6164625617551622 2.0416152009758148 2.0416096761879330 |
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2.0416395630546611 2.0415997092124565 2.0416251003786470 2.0416334450442490 |
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2.0943705574396407 2.0943096262458902 2.0945051232482492 2.0944997666859844 |
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2.0943484464611308 2.0943370879888095 2.0942874284472723 2.0944097841379832 |
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2.0944880873481719 2.0944552026762593 2.0944138758888133 2.0943162286145096 |
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2.0943587676374560 2.0944053457891552 2.0944211851011794 2.0944419201407469 |
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2.0944076947130323 2.0943356821471806 -3.1413769608959234 0.0001918685321195 |
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-3.1415189186754549 0.0000975590760885 3.1412484973407353 -0.0002147871306387 |
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3.1412597217448388 -0.0004623009633733 0.0002523684114255 -3.1414696451591859 |
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-3.1413403851485695 0.0001229084604057 -3.1413651052013871 -3.1415065553248844 |
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0.0000861982374957 0.0002274484158186 -0.0004981002326044 3.1412478770184191 |
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-0.0002034213266339 0.0002886820965801 -3.1413277983442303 3.1412359086019288 |
|
-3.1414572887802632 0.0001115379585127 |
|
|
|
$redundant_gradients |
|
3 54 |
|
0.0109681386563687 0.0107726995773907 0.0109375891043020 0.0109203838675071 |
|
0.0107826312271991 0.0107956272333480 0.0044335985797422 0.0043803969932892 |
|
0.0044211236477842 0.0043184150247137 0.0045056737036669 0.0044087409547110 |
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0.0000062275084563 -0.0000132886931820 0.0000070611983976 0.0000171274744660 |
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-0.0000220569950119 0.0000049248226618 -0.0000053593123001 -0.0000080814166935 |
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0.0000134355002122 0.0000095099474504 0.0000164007144786 -0.0000259106845311 |
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-0.0000020573908196 -0.0000021666653359 0.0000042177263341 0.0000303264381640 |
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-0.0000045620118463 -0.0000257664471849 0.0000062098463209 0.0000069073082963 |
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0.0000211613831226 0.0000204639211472 -0.0000300012136374 -0.0000451179173257 |
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-0.0000308590583824 -0.0000157423546940 0.0000075836580391 0.0000226997345240 |
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0.0000084006000925 0.0000235166765774 0.0000060709985179 0.0000236786195382 |
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0.0000228617973961 0.0000068878206600 -0.0000191514331958 -0.0000307702801217 |
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0.0000252364086618 0.0000259337350825 |
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0.0009650443225666 0.0008844860847003 0.0009522902879973 0.0009284897855190 |
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0.0009046710773773 0.0008897294550904 -0.0000651793868429 -0.0000717468140807 |
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0.0000204948673824 0.0000103353131635 0.0000125412841154 -0.0000228765974576 |
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0.0000072549318011 0.0000067720140568 0.0000064970246083 0.0000057906599196 |
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0.0000074034731301 0.0000067978544827 |
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0.0000297739845499 -0.0000059846176034 0.0000223549109037 0.0000086472979512 |
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0.0000103450430747 -0.0000028354411378 -0.0000550657985006 -0.0000560850845138 |
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0.0000147907340879 0.0000072266806960 0.0000062545896901 -0.0000134812703854 |
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0.0000012741174274 -0.0000093611113547 0.0000030931987400 0.0000027402575343 |
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0.0000011098056051 0.0000014627468108 -0.0000050006333964 -0.0000032151178689 |
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0.0000036200903030 0.0000018354740148 0.0000032748986633 0.0000013049254401 |
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0.0000012968717458 0.0000032829523576 -0.0000071790714814 -0.0000050274114227 |
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0.0000020212191357 0.0000016679775318 |
|
|
|
$hessian_approx |
|
36 36 |
|
0 1 2 3 4 5 |
|
0 1.086610 0.027594 0.005185 -0.458925 -0.106969 -0.002254 |
|
1 0.027594 1.296324 0.009905 -0.125487 -0.508760 -0.004413 |
|
2 0.005185 0.009905 0.138666 -0.003121 -0.004418 -0.063232 |
|
3 -0.458925 -0.125487 -0.003121 1.275625 0.068797 0.007383 |
|
4 -0.106969 -0.508760 -0.004418 0.068797 1.106098 0.007657 |
|
5 -0.002254 -0.004413 -0.063232 0.007383 0.007657 0.138658 |
|
6 -0.000411 0.007795 -0.000077 -0.607927 0.034941 -0.003440 |
|
7 -0.032716 0.040551 -0.000076 0.038970 -0.375643 -0.003164 |
|
8 -0.001116 0.000377 0.007158 -0.003231 -0.001787 -0.063277 |
|
9 0.023735 0.002221 0.000008 0.012250 0.033013 -0.000391 |
|
10 -0.004818 -0.000297 0.000109 0.002674 0.027022 0.000347 |
|
11 0.000135 0.000089 -0.010005 0.000058 0.000424 0.007162 |
|
12 0.014395 0.004324 0.000017 0.000413 -0.005625 -0.000241 |
|
13 0.039249 0.019892 0.000386 -0.001976 0.018790 0.000940 |
|
14 0.001229 0.000046 0.007176 0.000308 -0.000639 -0.009999 |
|
15 -0.398289 0.083314 -0.000727 0.044178 -0.025151 0.000427 |
|
16 0.076778 -0.582341 -0.003840 0.016266 -0.000291 0.000583 |
|
17 -0.001897 -0.003872 -0.063287 0.000032 0.000807 0.007182 |
|
18 -0.356756 0.019862 -0.001424 -0.006519 0.001907 -0.000061 |
|
19 0.020569 -0.235820 -0.001517 -0.050027 0.040113 0.000010 |
|
20 -0.001578 -0.001514 -0.045777 -0.000541 0.000446 0.008223 |
|
21 0.048181 -0.038300 -0.000088 -0.249513 0.043456 -0.000822 |
|
22 0.013624 -0.014394 -0.000094 0.042938 -0.343013 -0.002166 |
|
23 -0.000877 -0.000362 0.008217 -0.001127 -0.000994 -0.045772 |
|
24 -0.002150 0.000174 -0.000046 -0.008514 -0.048036 -0.000578 |
|
25 -0.003564 0.000280 -0.000072 0.005306 0.043971 0.000382 |
|
26 0.001231 -0.000088 0.006422 0.000281 -0.001254 0.008225 |
|
27 -0.004859 0.000333 -0.000011 -0.001392 0.004760 0.000013 |
|
28 0.000801 -0.000061 0.000002 0.000235 -0.000782 -0.000069 |
|
29 -0.000075 0.000003 -0.000000 -0.000060 0.000009 0.006412 |
|
30 -0.000978 0.000103 -0.000030 -0.000313 0.000947 0.000001 |
|
31 0.004117 -0.000353 -0.000053 0.001246 -0.004012 -0.000024 |
|
32 -0.001301 -0.000015 0.006419 -0.000320 0.001265 0.000025 |
|
33 0.049449 0.018067 0.000311 0.000640 -0.002040 -0.000036 |
|
34 -0.034666 -0.015022 -0.000331 0.001057 -0.003495 -0.000079 |
|
35 0.001320 -0.000157 0.008242 0.000337 -0.001516 0.006391 |
|
6 7 8 9 10 11 |
|
0 -0.000411 -0.032716 -0.001116 0.023735 -0.004818 0.000135 |
|
1 0.007795 0.040551 0.000377 0.002221 -0.000297 0.000089 |
|
2 -0.000077 -0.000076 0.007158 0.000008 0.000109 -0.010005 |
|
3 -0.607927 0.038970 -0.003231 0.012250 0.002674 0.000058 |
|
4 0.034941 -0.375643 -0.001787 0.033013 0.027022 0.000424 |
|
5 -0.003440 -0.003164 -0.063277 -0.000391 0.000347 0.007162 |
|
6 1.222225 -0.100565 0.005992 -0.395102 0.086511 -0.000996 |
|
7 -0.100565 1.171119 0.010165 0.073444 -0.576478 -0.004707 |
|
8 0.005992 0.010165 0.138715 -0.000256 -0.004759 -0.063233 |
|
9 -0.395102 0.073444 -0.000256 1.083299 0.035208 0.005193 |
|
10 0.086511 -0.576478 -0.004759 0.035208 1.294485 0.011531 |
|
11 -0.000996 -0.004707 -0.063233 0.005193 0.011531 0.138648 |
|
12 0.043824 0.013861 0.000586 -0.462139 -0.123312 -0.003151 |
|
13 -0.031126 -0.001769 -0.001013 -0.110023 -0.515065 -0.005052 |
|
14 -0.000617 -0.000720 0.007143 -0.003945 -0.004952 -0.063259 |
|
15 0.002981 0.007294 -0.000364 0.004349 0.003578 0.000044 |
|
16 0.003515 0.008808 -0.000417 -0.033435 0.035602 0.000178 |
|
17 0.000649 0.000984 -0.009987 0.000680 0.000134 0.007166 |
|
18 -0.002514 -0.003525 -0.000079 -0.004728 0.000797 -0.000019 |
|
19 -0.000174 -0.000270 -0.000051 -0.000375 0.000068 -0.000001 |
|
20 0.000029 0.000055 0.006404 0.000149 -0.000027 0.000000 |
|
21 0.008978 0.059489 0.000490 -0.000866 0.000144 -0.000042 |
|
22 0.006162 0.026750 0.000186 0.004805 -0.000814 -0.000035 |
|
23 0.000650 0.001420 0.008249 0.001266 -0.000298 0.006429 |
|
24 -0.283492 -0.062758 -0.002061 0.049566 0.017873 0.000423 |
|
25 -0.062475 -0.309671 -0.003000 -0.034531 -0.015361 -0.000442 |
|
26 -0.002693 -0.003970 -0.045810 -0.001482 0.000114 0.008220 |
|
27 0.012049 0.007370 0.000079 -0.356532 0.019374 -0.001405 |
|
28 0.059686 0.022560 0.000447 0.019409 -0.235771 -0.001750 |
|
29 0.000634 0.000222 0.008229 -0.001348 -0.001761 -0.045779 |
|
30 0.000570 0.000766 -0.000012 0.048341 -0.038392 -0.000207 |
|
31 -0.002303 -0.003194 -0.000112 0.013977 -0.014017 -0.000168 |
|
32 0.000591 0.000897 0.006405 0.001700 -0.000647 0.008237 |
|
33 -0.001181 -0.001629 -0.000028 -0.002169 0.000361 -0.000034 |
|
34 -0.001967 -0.002764 -0.000035 -0.003712 0.000628 -0.000067 |
|
35 -0.000722 -0.001107 0.000005 -0.001574 0.000210 0.006414 |
|
12 13 14 15 16 17 |
|
0 0.014395 0.039249 0.001229 -0.398289 0.076778 -0.001897 |
|
1 0.004324 0.019892 0.000046 0.083314 -0.582341 -0.003872 |
|
2 0.000017 0.000386 0.007176 -0.000727 -0.003840 -0.063287 |
|
3 0.000413 -0.001976 0.000308 0.044178 0.016266 0.000032 |
|
4 -0.005625 0.018790 -0.000639 -0.025151 -0.000291 0.000807 |
|
5 -0.000241 0.000940 -0.009999 0.000427 0.000583 0.007182 |
|
6 0.043824 -0.031126 -0.000617 0.002981 0.003515 0.000649 |
|
7 0.013861 -0.001769 -0.000720 0.007294 0.008808 0.000984 |
|
8 0.000586 -0.001013 0.007143 -0.000364 -0.000417 -0.009987 |
|
9 -0.462139 -0.110023 -0.003945 0.004349 -0.033435 0.000680 |
|
10 -0.123312 -0.515065 -0.004952 0.003578 0.035602 0.000134 |
|
11 -0.003151 -0.005052 -0.063259 0.000044 0.000178 0.007166 |
|
12 1.274017 0.070162 0.005344 -0.605276 0.040370 -0.001467 |
|
13 0.070162 1.114358 0.010883 0.033707 -0.370548 -0.003623 |
|
14 0.005344 0.010883 0.138715 -0.001323 -0.001999 -0.063285 |
|
15 -0.605276 0.033707 -0.001323 1.218166 -0.102481 0.002914 |
|
16 0.040370 -0.370548 -0.001999 -0.102481 1.174360 0.007516 |
|
17 -0.001467 -0.003623 -0.063285 0.002914 0.007516 0.138731 |
|
18 -0.001438 0.004164 -0.000001 0.012148 0.007002 0.000095 |
|
19 -0.000104 0.000320 -0.000061 0.060328 0.023427 0.000447 |
|
20 0.000016 -0.000177 0.006425 0.000440 0.000049 0.008242 |
|
21 -0.000268 0.000765 0.000010 0.000500 0.000621 -0.000029 |
|
22 0.001449 -0.004215 -0.000025 -0.002730 -0.003392 -0.000118 |
|
23 0.000369 -0.001111 0.000009 -0.000739 -0.000928 0.006375 |
|
24 0.000680 -0.001963 -0.000057 -0.001277 -0.001587 -0.000025 |
|
25 0.001122 -0.003253 -0.000088 -0.002112 -0.002625 -0.000047 |
|
26 -0.000407 0.001068 0.006398 0.000718 0.000887 0.000033 |
|
27 -0.006358 0.001943 -0.000042 -0.002853 -0.003542 -0.000107 |
|
28 -0.050388 0.041225 0.000061 0.000474 0.000590 -0.000051 |
|
29 -0.000549 0.000281 0.008233 -0.000070 -0.000120 0.006412 |
|
30 -0.249308 0.043303 -0.000454 0.008847 0.059374 0.000603 |
|
31 0.042906 -0.343492 -0.002820 0.006094 0.026221 0.000211 |
|
32 -0.000072 -0.003969 -0.045788 -0.000680 -0.000492 0.008209 |
|
33 -0.008542 -0.048208 -0.000455 -0.283475 -0.062882 -0.001449 |
|
34 0.005234 0.043756 0.000315 -0.062315 -0.309812 -0.002389 |
|
35 -0.000445 0.001386 0.008231 -0.000643 -0.001415 -0.045792 |
|
18 19 20 21 22 23 |
|
0 -0.356756 0.020569 -0.001578 0.048181 0.013624 -0.000877 |
|
1 0.019862 -0.235820 -0.001514 -0.038300 -0.014394 -0.000362 |
|
2 -0.001424 -0.001517 -0.045777 -0.000088 -0.000094 0.008217 |
|
3 -0.006519 -0.050027 -0.000541 -0.249513 0.042938 -0.001127 |
|
4 0.001907 0.040113 0.000446 0.043456 -0.343013 -0.000994 |
|
5 -0.000061 0.000010 0.008223 -0.000822 -0.002166 -0.045772 |
|
6 -0.002514 -0.000174 0.000029 0.008978 0.006162 0.000650 |
|
7 -0.003525 -0.000270 0.000055 0.059489 0.026750 0.001420 |
|
8 -0.000079 -0.000051 0.006404 0.000490 0.000186 0.008249 |
|
9 -0.004728 -0.000375 0.000149 -0.000866 0.004805 0.001266 |
|
10 0.000797 0.000068 -0.000027 0.000144 -0.000814 -0.000298 |
|
11 -0.000019 -0.000001 0.000000 -0.000042 -0.000035 0.006429 |
|
12 -0.001438 -0.000104 0.000016 -0.000268 0.001449 0.000369 |
|
13 0.004164 0.000320 -0.000177 0.000765 -0.004215 -0.001111 |
|
14 -0.000001 -0.000061 0.006425 0.000010 -0.000025 0.000009 |
|
15 0.012148 0.060328 0.000440 0.000500 -0.002730 -0.000739 |
|
16 0.007002 0.023427 0.000049 0.000621 -0.003392 -0.000928 |
|
17 0.000095 0.000447 0.008242 -0.000029 -0.000118 0.006375 |
|
18 0.360650 -0.030410 0.001424 0.000356 -0.000822 0.000122 |
|
19 -0.030410 0.172190 0.001034 -0.000064 0.000179 0.000082 |
|
20 0.001424 0.001034 0.032946 0.000050 0.000050 -0.008226 |
|
21 0.000356 -0.000064 0.000050 0.193111 -0.066510 0.000398 |
|
22 -0.000822 0.000179 0.000050 -0.066510 0.339829 0.002028 |
|
23 0.000122 0.000082 -0.008226 0.000398 0.002028 0.032926 |
|
24 -0.000599 0.000116 -0.000008 -0.000230 0.000548 0.000015 |
|
25 -0.000713 0.000149 -0.000013 -0.000279 0.000644 0.000018 |
|
26 -0.000101 -0.000010 0.000004 0.000030 0.000174 -0.008208 |
|
27 -0.000840 0.000192 -0.000018 -0.000341 0.000752 -0.000096 |
|
28 0.000135 -0.000029 0.000003 0.000054 -0.000121 0.000014 |
|
29 -0.000000 0.000001 -0.000000 -0.000001 -0.000001 -0.000002 |
|
30 -0.000373 0.000064 -0.000004 -0.000136 0.000345 -0.000011 |
|
31 0.000896 -0.000176 0.000015 0.000344 -0.000814 0.000066 |
|
32 0.000099 0.000010 -0.000004 0.000018 -0.000104 -0.000038 |
|
33 0.000613 -0.000114 0.000040 0.000231 -0.000561 0.000031 |
|
34 0.000707 -0.000149 0.000080 0.000278 -0.000639 0.000064 |
|
35 -0.000055 0.000056 -0.008237 -0.000015 0.000105 0.000043 |
|
24 25 26 27 28 29 |
|
0 -0.002150 -0.003564 0.001231 -0.004859 0.000801 -0.000075 |
|
1 0.000174 0.000280 -0.000088 0.000333 -0.000061 0.000003 |
|
2 -0.000046 -0.000072 0.006422 -0.000011 0.000002 -0.000000 |
|
3 -0.008514 0.005306 0.000281 -0.001392 0.000235 -0.000060 |
|
4 -0.048036 0.043971 -0.001254 0.004760 -0.000782 0.000009 |
|
5 -0.000578 0.000382 0.008225 0.000013 -0.000069 0.006412 |
|
6 -0.283492 -0.062475 -0.002693 0.012049 0.059686 0.000634 |
|
7 -0.062758 -0.309671 -0.003970 0.007370 0.022560 0.000222 |
|
8 -0.002061 -0.003000 -0.045810 0.000079 0.000447 0.008229 |
|
9 0.049566 -0.034531 -0.001482 -0.356532 0.019409 -0.001348 |
|
10 0.017873 -0.015361 0.000114 0.019374 -0.235771 -0.001761 |
|
11 0.000423 -0.000442 0.008220 -0.001405 -0.001750 -0.045779 |
|
12 0.000680 0.001122 -0.000407 -0.006358 -0.050388 -0.000549 |
|
13 -0.001963 -0.003253 0.001068 0.001943 0.041225 0.000281 |
|
14 -0.000057 -0.000088 0.006398 -0.000042 0.000061 0.008233 |
|
15 -0.001277 -0.002112 0.000718 -0.002853 0.000474 -0.000070 |
|
16 -0.001587 -0.002625 0.000887 -0.003542 0.000590 -0.000120 |
|
17 -0.000025 -0.000047 0.000033 -0.000107 -0.000051 0.006412 |
|
18 -0.000599 -0.000713 -0.000101 -0.000840 0.000135 -0.000000 |
|
19 0.000116 0.000149 -0.000010 0.000192 -0.000029 0.000001 |
|
20 -0.000008 -0.000013 0.000004 -0.000018 0.000003 -0.000000 |
|
21 -0.000230 -0.000279 0.000030 -0.000341 0.000054 -0.000001 |
|
22 0.000548 0.000644 0.000174 0.000752 -0.000121 -0.000001 |
|
23 0.000015 0.000018 -0.008208 -0.000096 0.000014 -0.000002 |
|
24 0.245610 0.096776 0.002290 0.000565 -0.000090 0.000050 |
|
25 0.096776 0.287230 0.003180 0.000658 -0.000107 0.000083 |
|
26 0.002290 0.003180 0.032944 0.000160 0.000062 -0.008225 |
|
27 0.000565 0.000658 0.000160 0.360784 -0.030354 0.001384 |
|
28 -0.000090 -0.000107 0.000062 -0.030354 0.172259 0.001201 |
|
29 0.000050 0.000083 -0.008225 0.001384 0.001201 0.032950 |
|
30 0.000239 0.000293 0.000018 0.000358 -0.000056 0.000038 |
|
31 -0.000585 -0.000702 -0.000086 -0.000833 0.000134 0.000084 |
|
32 -0.000048 -0.000077 0.000039 -0.000073 0.000097 -0.008233 |
|
33 -0.000397 -0.000480 -0.000044 -0.000580 0.000092 -0.000001 |
|
34 -0.000467 -0.000555 -0.000080 -0.000653 0.000105 0.000000 |
|
35 0.000043 0.000076 -0.000044 0.000117 -0.000018 0.000003 |
|
30 31 32 33 34 35 |
|
0 -0.000978 0.004117 -0.001301 0.049449 -0.034666 0.001320 |
|
1 0.000103 -0.000353 -0.000015 0.018067 -0.015022 -0.000157 |
|
2 -0.000030 -0.000053 0.006419 0.000311 -0.000331 0.008242 |
|
3 -0.000313 0.001246 -0.000320 0.000640 0.001057 0.000337 |
|
4 0.000947 -0.004012 0.001265 -0.002040 -0.003495 -0.001516 |
|
5 0.000001 -0.000024 0.000025 -0.000036 -0.000079 0.006391 |
|
6 0.000570 -0.002303 0.000591 -0.001181 -0.001967 -0.000722 |
|
7 0.000766 -0.003194 0.000897 -0.001629 -0.002764 -0.001107 |
|
8 -0.000012 -0.000112 0.006405 -0.000028 -0.000035 0.000005 |
|
9 0.048341 0.013977 0.001700 -0.002169 -0.003712 -0.001574 |
|
10 -0.038392 -0.014017 -0.000647 0.000361 0.000628 0.000210 |
|
11 -0.000207 -0.000168 0.008237 -0.000034 -0.000067 0.006414 |
|
12 -0.249308 0.042906 -0.000072 -0.008542 0.005234 -0.000445 |
|
13 0.043303 -0.343492 -0.003969 -0.048208 0.043756 0.001386 |
|
14 -0.000454 -0.002820 -0.045788 -0.000455 0.000315 0.008231 |
|
15 0.008847 0.006094 -0.000680 -0.283475 -0.062315 -0.000643 |
|
16 0.059374 0.026221 -0.000492 -0.062882 -0.309812 -0.001415 |
|
17 0.000603 0.000211 0.008209 -0.001449 -0.002389 -0.045792 |
|
18 -0.000373 0.000896 0.000099 0.000613 0.000707 -0.000055 |
|
19 0.000064 -0.000176 0.000010 -0.000114 -0.000149 0.000056 |
|
20 -0.000004 0.000015 -0.000004 0.000040 0.000080 -0.008237 |
|
21 -0.000136 0.000344 0.000018 0.000231 0.000278 -0.000015 |
|
22 0.000345 -0.000814 -0.000104 -0.000561 -0.000639 0.000105 |
|
23 -0.000011 0.000066 -0.000038 0.000031 0.000064 0.000043 |
|
24 0.000239 -0.000585 -0.000048 -0.000397 -0.000467 0.000043 |
|
25 0.000293 -0.000702 -0.000077 -0.000480 -0.000555 0.000076 |
|
26 0.000018 -0.000086 0.000039 -0.000044 -0.000080 -0.000044 |
|
27 0.000358 -0.000833 -0.000073 -0.000580 -0.000653 0.000117 |
|
28 -0.000056 0.000134 0.000097 0.000092 0.000105 -0.000018 |
|
29 0.000038 0.000084 -0.008233 -0.000001 0.000000 0.000003 |
|
30 0.192995 -0.066455 0.000010 -0.000240 -0.000291 0.000048 |
|
31 -0.066455 0.339711 0.002887 0.000597 0.000696 0.000002 |
|
32 0.000010 0.002887 0.032924 0.000074 0.000146 -0.008194 |
|
33 -0.000240 0.000597 0.000074 0.245653 0.096798 0.001587 |
|
34 -0.000291 0.000696 0.000146 0.096798 0.287249 0.002378 |
|
35 0.000048 0.000002 -0.008194 0.001587 0.002378 0.032938 |
|
|
|
$bmatrix |
|
54 36 |
|
0 1 2 3 4 5 |
|
0 0.628243 0.777950 0.010230 -0.628243 -0.777950 -0.010230 |
|
1 0.000000 0.000000 0.000000 0.987882 -0.155162 0.003680 |
|
2 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
3 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
4 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
5 0.359670 -0.933056 -0.006634 0.000000 0.000000 0.000000 |
|
6 -0.987877 0.155199 -0.003616 0.000000 0.000000 0.000000 |
|
7 0.000000 0.000000 0.000000 -0.359700 0.933046 0.006447 |
|
8 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
9 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
10 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
11 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
12 -0.653946 0.102662 -0.002380 0.297333 -0.240106 -0.000670 |
|
13 0.221335 -0.723959 -0.005425 -0.297333 0.240106 0.000661 |
|
14 0.432611 0.621297 0.007835 0.000000 0.000000 0.000000 |
|
15 0.000000 0.000000 0.000000 -0.516306 -0.553713 -0.007563 |
|
16 0.297333 -0.240106 -0.000633 -0.238046 0.617660 0.004336 |
|
17 -0.297333 0.240107 0.000588 0.754351 -0.063948 0.003375 |
|
18 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
19 0.000000 0.000000 0.000000 0.059286 0.377552 0.003834 |
|
20 0.000000 0.000000 0.000000 -0.059286 -0.377553 -0.003785 |
|
21 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
22 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
23 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
24 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
25 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
26 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
27 0.356614 0.137444 0.003008 0.000000 0.000000 0.000000 |
|
28 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
29 -0.356614 -0.137445 -0.002950 0.000000 0.000000 0.000000 |
|
30 0.002197 0.004029 -0.441308 0.002995 0.005018 -0.565517 |
|
31 -0.005148 -0.009081 1.006725 0.005233 0.009013 -1.006736 |
|
32 -0.002861 -0.005126 0.565504 -0.002280 -0.003962 0.441308 |
|
33 0.004485 0.007984 -0.882530 -0.004518 -0.007957 0.882527 |
|
34 -0.002267 -0.003972 0.441263 0.002256 0.003896 -0.441232 |
|
35 -0.002267 -0.003972 0.441263 0.004543 0.007991 -0.882586 |
|
36 0.000000 0.000000 0.000000 -0.002885 -0.004952 0.565595 |
|
37 0.000000 0.000000 0.000000 -0.005172 -0.009046 1.006948 |
|
38 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
39 0.000000 0.000000 0.000000 -0.002282 -0.004066 0.441323 |
|
40 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
41 0.000000 0.000000 0.000000 -0.002282 -0.004066 0.441323 |
|
42 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
43 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
44 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
45 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
46 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
47 0.002188 0.003981 -0.441310 0.000000 0.000000 0.000000 |
|
48 0.002188 0.003981 -0.441310 0.000000 0.000000 0.000000 |
|
49 0.005061 0.009110 -1.006911 0.000000 0.000000 0.000000 |
|
50 -0.002289 -0.004020 0.441286 0.002234 0.003999 -0.441268 |
|
51 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
52 0.002904 0.005141 -0.565619 0.000000 0.000000 0.000000 |
|
53 -0.004445 -0.007989 0.882577 0.002234 0.003999 -0.441268 |
|
6 7 8 9 10 11 |
|
0 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
1 -0.987882 0.155162 -0.003680 0.000000 0.000000 0.000000 |
|
2 0.359691 -0.933047 -0.006736 -0.359691 0.933047 0.006736 |
|
3 0.000000 0.000000 0.000000 -0.628268 -0.777929 -0.010310 |
|
4 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
5 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
6 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
7 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
8 0.628289 0.777909 0.010528 0.000000 0.000000 0.000000 |
|
9 0.000000 0.000000 0.000000 0.987894 -0.155087 0.003574 |
|
10 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
11 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
12 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
13 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
14 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
15 0.059287 0.377554 0.003658 0.000000 0.000000 0.000000 |
|
16 -0.059287 -0.377553 -0.003703 0.000000 0.000000 0.000000 |
|
17 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
18 -0.737644 0.170302 -0.002327 0.356596 0.137445 0.003160 |
|
19 0.321762 -0.685299 -0.004730 0.000000 0.000000 0.000000 |
|
20 0.415883 0.514999 0.006895 -0.356596 -0.137446 -0.003111 |
|
21 0.000000 0.000000 0.000000 -0.221392 0.723989 0.005518 |
|
22 0.356597 0.137446 0.003064 -0.432540 -0.621311 -0.007884 |
|
23 -0.356597 -0.137446 -0.003064 0.653933 -0.102678 0.002366 |
|
24 0.000000 0.000000 0.000000 0.297336 -0.240123 -0.000785 |
|
25 0.000000 0.000000 0.000000 -0.297336 0.240124 0.000731 |
|
26 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
27 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
28 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
29 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
|
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49 0.000000 0.000000 0.000000 -0.004908 -0.009051 1.006852 |
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18 19 20 21 22 23 |
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30 0.000000 0.000000 0.000000 -0.002958 -0.005048 0.565534 |
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31 0.002874 0.005116 -0.565524 -0.002958 -0.005048 0.565534 |
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32 0.002874 0.005116 -0.565524 0.000000 0.000000 0.000000 |
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52 -0.002876 -0.005130 0.565587 0.000000 0.000000 0.000000 |
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53 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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24 25 26 27 28 29 |
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37 -0.002936 -0.005282 0.565548 0.000000 0.000000 0.000000 |
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38 0.002993 0.005236 -0.565508 -0.002860 -0.005185 0.565561 |
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39 0.000000 0.000000 0.000000 -0.002860 -0.005185 0.565561 |
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40 0.002993 0.005236 -0.565508 0.000000 0.000000 0.000000 |
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50 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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52 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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53 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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30 31 32 33 34 35 |
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1 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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2 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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10 -0.359652 0.933061 0.006933 0.000000 0.000000 0.000000 |
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11 0.000000 0.000000 0.000000 0.628271 0.777930 0.010001 |
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12 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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22 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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23 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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24 0.457025 0.176133 0.003870 0.000000 0.000000 0.000000 |
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25 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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26 -0.457025 -0.176133 -0.003940 0.000000 0.000000 0.000000 |
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27 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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28 0.000000 0.000000 0.000000 0.381057 -0.307738 -0.000849 |
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29 0.000000 0.000000 0.000000 -0.381057 0.307737 0.000924 |
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30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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31 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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32 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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33 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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35 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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36 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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37 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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38 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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39 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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40 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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42 -0.002760 -0.005266 0.565536 0.000000 0.000000 0.000000 |
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45 -0.002760 -0.005266 0.565536 0.000000 0.000000 0.000000 |
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46 0.002835 0.005295 -0.565556 -0.002791 -0.005017 0.565552 |
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47 0.002835 0.005295 -0.565556 0.000000 0.000000 0.000000 |
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48 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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49 0.000000 0.000000 0.000000 0.002723 0.005071 -0.565528 |
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50 0.000000 0.000000 0.000000 0.002723 0.005071 -0.565528 |
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51 0.000000 0.000000 0.000000 -0.002791 -0.005017 0.565552 |
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52 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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53 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 |
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