C1.25SH                                 
   1.00000000000000     
    10.9259786627586291   -0.0078362265036608    0.1536583344917454
    -0.0301843644606177   29.3162005332032045    0.4637884914274896
     0.2888470175232776    0.3027948858039971   20.6660336030806171
   Ca   H    O    Si
    96    64   280    76
Direct
  0.3889769352920851  0.0980801139552483  0.0323264151744667
  0.8895301001312745  0.2175307449095456  0.0142760975045206
  0.3535453099123984  0.2244244887611231  0.0490877009221506
  0.8418867812789017  0.0899390540535663  0.0243586320554030
  0.4445336615169495  0.0892613160335927  0.4558555546005252
  0.9298243388866823  0.2135078391203749  0.4394215088252835
  0.4381874530104994  0.2190026674959853  0.4381060779402119
  0.9480738631111123  0.0961177844731154  0.4225614364179151
  0.1823383331900104  0.0262149903259896  0.5302171418779622
  0.6681635805275405  0.1594868127055804  0.5394049803361227
  0.1992203045895096  0.1537770465881891  0.5276213497220112
  0.7179911190658856  0.0358889032393606  0.5503433374888047
  0.1140917738773553  0.0345341154518266  0.9220440133506571
  0.6329177939374375  0.1619685676952685  0.9301599319143889
  0.1136147815729487  0.1576734081001945  0.9121968636234357
  0.6103459684061789  0.0287168001759355  0.9088830560024377
  0.2873596970207046  0.2571712384099172  0.2286790457832453
  0.6521864520993716  0.0954514369951838  0.2109152568915675
  0.3283123569587261  0.1458375683796262  0.1853754917623931
  0.8087791604767958  0.1838814545351397  0.2760669654624053
  0.3092713803691964  0.1475166760644555  0.7507565989685219
  0.7826070440317352  0.0163432101289800  0.7522538286959204
  0.3336273769547375  0.0227542774264009  0.7515398233387387
  0.8444536215780190  0.1615395862572768  0.7204169471336570
  0.4099663292527467  0.3462613338606957  0.0498891518748295
  0.8806433955988737  0.4721564243456271  0.0017360455023692
  0.3910429765716685  0.4667746929123666  0.0372605715509451
  0.8750277274940501  0.3476145874743324  0.0213868043228018
  0.4303535061275667  0.3380537359249800  0.4456965351934414
  0.9372913758728600  0.4629220509864780  0.4188964017009482
  0.4194961366283323  0.4614087209235649  0.4260727835094045
  0.9258300771876478  0.3371493254455373  0.3998131782168102
  0.1658095383915992  0.2797343003708335  0.5197558994285032
  0.6862202398703445  0.4018759247404518  0.5018570551899515
  0.1681536352193618  0.3988111116288593  0.5271117758601775
  0.7040157349022920  0.2790226387688577  0.5207846397756413
  0.1481874946129409  0.2862939779096720  0.9343128250076518
  0.6500899921761132  0.4094283071455962  0.9168594979637987
  0.1532670648784418  0.4103832433217676  0.9194904470515439
  0.6238865041501853  0.2838668932690851  0.9408489205204802
  0.2887862108554842  0.4640079136733419  0.2410682550197123
  0.8006734160909019  0.2964815140966692  0.2308435427034041
  0.1220408523484195  0.3653830057630358  0.2334866498005468
  0.8639663538055871  0.4984740655683098  0.1904565121021946
  0.2665866743913483  0.3419042378137505  0.7656285345656713
  0.9010734983785014  0.2823277720246793  0.7224227625384501
  0.5034221303810540  0.2528020739382697  0.7822739110924033
  0.6327044103245143  0.3420252588346528  0.6742914670719315
  0.3524373219372237  0.5903186842180972  0.0616214285179737
  0.8551892159204328  0.7163810452198405  0.0355239237997296
  0.3653917154225397  0.7181425182226704  0.0366248687173325
  0.8512942771259731  0.5925359475918270  0.0167223524516729
  0.4424896010520811  0.5946368505830790  0.4175667086831680
  0.9198269134033339  0.7125982176021921  0.4372636178861669
  0.4219328491058647  0.7181102704631925  0.4240997019989337
  0.9210751772317423  0.5878055332071099  0.4332855284109840
  0.1642102467843287  0.5224820095215819  0.5192342157760876
  0.6707577314116762  0.6525723256815041  0.5223422682274190
  0.1660523707471384  0.6456394738737146  0.5214675223766392
  0.6516248276397718  0.5236794229073141  0.5181748619357762
  0.1628202364960742  0.5352474839094654  0.9325305525437031
  0.6251299764528611  0.6561165444634796  0.9409176792628244
  0.1260528781998502  0.6599973738302936  0.9520577582965615
  0.6273724807725429  0.5343679865513167  0.9089742331258677
  0.2163965824751841  0.7104461099029749  0.2424277540173208
  0.7054530174666951  0.5962469800403269  0.2251416401595634
  0.1199134186184025  0.5811939334432736  0.2352574890812988
  0.6306540056633665  0.7167349250048503  0.2220296861575122
  0.1470943457706611  0.6232224016704890  0.7818966989414164
  0.7839539332023620  0.5231918967778881  0.7301157278353045
  0.3729563352956404  0.5434511983310841  0.7496255413325557
  0.8141205631404560  0.6396580813426809  0.6982788263439517
  0.3617849826994046  0.8452343976526393  0.0480792388343403
  0.8709032846822424  0.9663593489888314  0.0309529304275884
  0.3545430548380608  0.9719855974827780  0.0445759846839522
  0.8562721024014337  0.8420321699889826  0.0272368605460969
  0.3927993650858710  0.8449765280216823  0.4132360544682214
  0.9285026518696569  0.9668646590714189  0.4405414214812708
  0.4238487173504950  0.9637906208756704  0.4458186973334506
  0.9201198087786580  0.8394548503044774  0.4324285115458153
  0.1696563165841880  0.7755340903037293  0.5117891891659951
  0.6688571373586711  0.8982600257285469  0.5381441520254526
  0.2048512807405700  0.8968120581800676  0.5474960949807439
  0.6667982539623054  0.7762435641032397  0.5216126775069370
  0.1227220104104134  0.7830419093906613  0.9562440420920026
  0.6142393862693396  0.9060122386251876  0.9417156944087992
  0.1195201079782038  0.9093317080807495  0.9504839860572005
  0.6132981437383123  0.7831185017217592  0.9366055341798685
  0.2165516968188612  0.0058719186714029  0.2061008779229496
  0.7637834367619831  0.8689495250088939  0.2525051002419900
  0.2268550104517573  0.8498919733701698  0.2314255153903844
  0.8232008016741190  0.9985637595382428  0.1921901616190809
  0.2678556844539628  0.8882576265537523  0.7345919878883294
  0.8309576892144648  0.7656055532431907  0.7284179206376251
  0.2891981178859169  0.7399177651793210  0.7083139148438704
  0.8339388784886239  0.8902597868251974  0.7121244609545627
  0.4899582282828518  0.2162357691087422  0.1611006907500041
  0.8992627959552806  0.0753560594398479  0.2810764233076384
  0.7908835470972235  0.0384614729156283  0.3043144744241104
  0.4491102771935260  0.0396314918426555  0.1483480067652678
  0.8460342839943706  0.1532371128246766  0.1503469851497101
  0.4910867231779648  0.0208180694941049  0.2158308849120303
  0.0900294893639710  0.2132002566579914  0.7109245646042979
  0.5250482318192269  0.0718591526962484  0.7971795320819339
  0.6730814415511333  0.0860057771769291  0.7925228146708321
  0.1764622904535500  0.0706036448572505  0.6723455412044785
  0.6833433872461399  0.2508464512884601  0.6903296829912051
  0.3762433474733911  0.3533041301770510  0.1959007711265031
  0.0144151078821793  0.3022235951832855  0.2918410323103586
  0.3627360359060035  0.3775647238630313  0.2715757427350738
  0.8363056790185084  0.3991022676584706  0.1772525918397534
  0.4792970925662274  0.3116922593203029  0.1688506892896271
  0.8629408450279357  0.4114498510201230  0.2506118908529160
  0.2299093302961808  0.4499864351024456  0.7650052583973022
  0.3298524340835129  0.4552811148769180  0.7060101986735248
  0.7825184858000611  0.3935499576511177  0.7579820960204984
  0.1087646150596271  0.3168756088139304  0.6629048120687315
  0.5518109137116340  0.4698758212064433  0.6997947184941609
  0.0410725112987507  0.3717041226695059  0.6937400875607977
  0.5474820456585334  0.4915241220662239  0.7724718072206329
  0.4457808803840493  0.6337391568517248  0.1978748021318921
  0.0320910794040827  0.4979110869975045  0.2949515017667537
  0.8971029532172068  0.5111012779429061  0.3235580830697415
  0.4271119400107111  0.5283284909608383  0.1488003261478141
  0.9184289971853303  0.5893847024537138  0.1807619839472352
  0.3719183754460005  0.5643003879993316  0.1994609654425332
  0.0639662768970126  0.6982860896416412  0.7076270878690636
  0.5717481903120003  0.6256554268076329  0.7598293288307403
  0.7009400121937759  0.5971545611839701  0.8095160631675782
  0.1989026156466096  0.5789377729399519  0.6625418359425339
  0.5618782844230168  0.7597813478630115  0.7108663973475018
  0.3964741875944640  0.9614921767330102  0.2774166810946639
  0.0030588165970329  0.8019263659641567  0.2739071364101591
  0.3017436468787551  0.9241759651574739  0.2732409969993554
  0.0252204072568674  0.9213452774334669  0.2023839275404029
  0.4222673840501230  0.7546927340849550  0.2669618503275615
  0.9337319306505734  0.9306232077929764  0.2811726901024798
  0.0745599906070851  0.0160708391553186  0.7833248860384145
  0.1456870727323505  0.9735288779281603  0.8220927537082545
  0.6446505187810772  0.8185342758494087  0.7829756523001805
  0.2094518672151651  0.8226401005671207  0.6619375945696859
  0.6064718826345725  0.9509798706082151  0.6515523228607094
  0.0682720662050826  0.8074595538291121  0.6779701659467605
  0.6206808369621939  0.9435115299053507  0.7454505914087051
  0.8033672096877709  0.4081851617333001  0.6854974248539492
  0.8973419136214247  0.6733541043363189  0.8068695783522273
  0.1886912773416256  0.2261267090400239  0.7667701822148203
  0.1074119947822822  0.0823408301253963  0.7356928880723075
  0.8833527425996763  0.5175024839070019  0.6314300625757454
  0.4244422260446683  0.4045315221537109  0.6550413139048956
  0.6013315273225857  0.7095035880404197  0.7293881856327218
  0.1044830658909746  0.0957964592032710  0.1767924343828184
  0.3340112857948938  0.6296287798484244  0.2552295206887223
  0.5306113703342490  0.4380658720562707  0.1717380698362518
  0.8675662430724742  0.7834815341638972  0.2788805115038784
  0.6825743414027983  0.3354808239275755  0.1380709095499313
  0.5936568503368349  0.8055525238355230  0.2766221068581132
  0.1114613405771010  0.4623573493652842  0.1482893486603416
  0.8724314794564734  0.6896100490594321  0.2785842289245508
  0.6217868843574550  0.8304580773657193  0.7081913301774563
  0.0049711153500382  0.0322256205894149  0.0238116500619512
  0.5014068858835969  0.1720576928017579  0.0222560366075015
  0.2266505922722857  0.0322955697477099  0.0876234275527139
  0.7312167766322162  0.1548857913264285  0.0401855569856195
  0.0173206559269659  0.1480992753904005  0.0071754885015594
  0.4988963142951377  0.0320382939327928  0.0723475673675651
  0.2367976841768353  0.1504634249062562  0.0785094338398551
  0.7176816763126865  0.0214307943683636  0.0056939532755678
  0.0659646587604499  0.0276464150869984  0.4231408503829996
  0.5725615868886962  0.1586642527061386  0.4349724081701467
  0.3035730260217946  0.0293656558022235  0.4293107514682575
  0.8032482085750061  0.1543416152311679  0.3871616733792962
  0.0795118559008117  0.1622380526929561  0.4122349657554452
  0.5783154355029012  0.0143484143660189  0.4680707402680397
  0.3143461124317639  0.1523786063796209  0.4307511485303834
  0.8145460382715513  0.0354036635850719  0.4467918631975962
  0.9294713338428338  0.2357436602109644  0.2141002370046650
  0.9973976499651016  0.1020979404121931  0.3089234852075151
  0.5634840013095186  0.0891381066397159  0.5596382575068830
  0.0575805731991395  0.2130092454417891  0.5391176352875178
  0.3262349708710417  0.0914429460926556  0.5610167794645378
  0.8227258183368633  0.2148024168908051  0.5460065880014753
  0.5490679784197496  0.2280809372582766  0.5383777247268853
  0.0599583891585382  0.0943474099983845  0.5280229308845321
  0.3103237150053602  0.2218316420011561  0.5395820214637510
  0.8204414441195453  0.1083867250333697  0.5244194564477311
  0.4933312455706229  0.1002520234008344  0.9243673865447661
  0.0055171930451294  0.2261290107654688  0.9099140070620493
  0.2557842698532440  0.0913739593112695  0.9375281343578337
  0.7665173981854281  0.2272837228494495  0.9131629775873549
  0.4962190636816075  0.2266440403634533  0.8903340432797435
  0.0105567027152276  0.0980537628968392  0.8715742067412009
  0.2645043326739867  0.2213391251840591  0.9486857041815000
  0.7760677838625227  0.1035778101366844  0.9183560153001267
  0.6730801939908488  0.1598072366872572  0.6551507947874100
  0.1388518300595010  0.0279510987216369  0.6361388407678348
  0.0204912871931953  0.0099426140152872  0.1518530937836715
  0.5323039406058143  0.1307808226085498  0.1326966997971439
  0.0449999745843712  0.0957387826038385  0.1093873413588753
  0.6326794487929774  0.2156758074116425  0.1158654027795478
  0.0163362574495380  0.1884386715039383  0.1130636568770100
  0.7294857956207821  0.0523599803383377  0.1214455634925642
  0.2440748693228159  0.2195764921033714  0.3485195903970464
  0.6324914745325714  0.0821660436108544  0.3896220451720822
  0.1969203591201563  0.0459055312332737  0.3109591198336403
  0.6264055194069797  0.1458717478609159  0.3011275157509132
  0.2345250637326473  0.1337316695183475  0.3137508785898504
  0.7079164020817430  0.0004162856492229  0.3530247565939604
  0.1594291217902111  0.1934542430103576  0.2160936357123049
  0.1703613881343600  0.0908384601492287  0.2099414735993292
  0.4604405219056389  0.1074211788660833  0.6755533978988595
  0.9504154645748173  0.2254852912250840  0.6607062788531550
  0.4342731687973398  0.0269686352644243  0.6373155980441041
  0.9484140857376318  0.1479373136247659  0.6154876391133044
  0.4326351892693054  0.1870122725379062  0.6385826933465211
  0.9021552539211228  0.0579339494230737  0.6200235584400176
  0.3263913357304418  0.1610439643454527  0.8651063182012919
  0.8524975035652460  0.0292493400070271  0.8603138557904160
  0.3696960485641085  0.0863816843860477  0.8127616846776249
  0.8812860858105793  0.2113307478538147  0.7956021867397709
  0.2976118813602255  0.2457746893222676  0.8210474593631432
  0.8109873559010055  0.1022767244082274  0.7890923964092451
  0.5098739633018070  0.1757960594141750  0.7547019423509553
  0.9822960801252947  0.0376903500570194  0.7367967309208439
  0.4001509470601476  0.2152029686729122  0.1637131676791910
  0.8261030087736856  0.0556992040834103  0.2661868761760218
  0.4251939626062295  0.0408709556064579  0.1959860184723468
  0.8010749548423419  0.1431134622523302  0.1891180147952909
  0.1573273713192620  0.2018988655537512  0.7383128729274304
  0.6108948047392246  0.0597371358013703  0.7938994908095225
  0.1840744048981406  0.0915276427873124  0.7116080832448972
  0.6732264963943493  0.2738456665477216  0.7233122595957298
  0.0101420732698898  0.2855261920491330  0.0367672106585744
  0.5288541045943020  0.4107395404353511  0.0848247942105829
  0.2481375944279307  0.2953728945441441  0.0381734572944339
  0.7430208882488429  0.4107809771879118  0.0108112142155861
  0.0156083549847992  0.4160372360515225  0.0371565525850812
  0.5166507023849789  0.2783400276170056  0.0438265040921522
  0.2579918925526243  0.4026911193733156  0.0324569810795694
  0.7547452805541326  0.2785314714884137  0.0363732068054858
  0.0649051357386483  0.2730768962603065  0.4107883154010921
  0.5690844243108515  0.3928462337178047  0.4110370510574555
  0.2971213626018212  0.2831465351068303  0.4267797603145596
  0.8043301985066904  0.4060148610491581  0.3901781165489027
  0.0604416891683428  0.3928999392496593  0.4261886433887980
  0.5597473930500598  0.2805824983226302  0.4096654680626557
  0.3013932655255473  0.3918327723254222  0.4166007619187369
  0.7966549704547035  0.2717235660036152  0.4156720205322344
  0.4381482997946691  0.4660353799829764  0.3170712271531144
  0.5545203418063593  0.3393693752011728  0.5645598188089025
  0.0327440675601238  0.4599192465337509  0.5406743881231932
  0.3107584029659805  0.3385930365517780  0.5472825669274215
  0.8030698081431780  0.4689207012024355  0.5091906508480690
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