KH2PO4-mp-696752-122-refined            
   1.00000000000000     
     7.5360377641278387   -0.1620039229532555    0.1692214628790872
    -0.1586930277026136    7.5466905418329047    0.0771776786285246
     0.3161990306929831    0.1499540244212045   14.2539940092342530
   K    Y    P    H    O 
     8     1     7    16    31
Direct
  0.0250065031758967 -0.0331783758548814  0.2470054302788926
  0.1322428887967814  0.5135181955263557  0.3828200570262735
  0.4383048527580996  0.4790039295883642 -0.0139770533735808
  0.4505367565363761 -0.0264909233141680  0.0975416713673428
 -0.0241661347854805 -0.0016959976260345  0.7456916500911550
 -0.0305585087794578  0.4792549460218822  0.8762147211453771
  0.5279334658421821  0.5207043653623979  0.5156069168943817
  0.4804063630838029  0.0147606237253599  0.6145287462955148
  0.6335550665650519  0.4958529133594284  0.2301798433066863
  0.0072896487142635  0.4515585080347411  0.1617235438722168
 -0.0334774741368420 -0.0271246031767985  0.0020780898283482
  0.5092370327106215  0.0993522078757558  0.3711335592839403
  0.4833043389358485  0.5034332617945351  0.7550176945047569
  0.0008747158350132  0.5039469292673505  0.6349899705021685
 -0.0130874172803569  0.0039301667952961  0.5047382197705053
  0.4684765031571702 -0.0077118595985106  0.8614754991420118
  0.6971518914243546  0.7037555617223044  0.0713846046968475
  0.7676090113109678  0.8802123404037286  0.4322166980006273
  0.4921405563214734  0.7400979422893353  0.3560584325334083
  0.1086431562341253  0.6899869947698624  0.0738014084507285
  0.2071815125268565  0.1695330056749898  0.4317986102313526
  0.3100247758457000  0.2977238308714816  0.1896894910460196
  0.8348960150505259  0.1909927449051129  0.0853220338356312
  0.7850416998389588  0.2188815394585246  0.3814098453719351
  0.7231766120714073  0.6495796150610649  0.6923794204317547
  0.7295639456190179  0.8429337397882365  0.9319084329014915
  0.3251387723189480  0.7636808944932149  0.8008542645419232
  0.1461863291097617  0.7362271163084105  0.5666417005884297
  0.2200579080765984  0.1219714372760160  0.9265352337626560
  0.2644497023727800  0.3557154856070358  0.6883507569254899
  0.8577374008450545  0.2842203024164019  0.5655984719411637
  0.6195700469811802  0.2355696296735581  0.8052929466785395
  0.5957691910903575  0.6741665413970019  0.1143566046529392
  0.9342366078599688  0.5865470156219952  0.2337038654782559
  0.8979983186940558  0.8520129610235069  0.4427380709555750
  0.1143440483045887  0.3116072566677099  0.2089001680010164
  0.4741148019329461  0.6149507429293628  0.3404687365227888
  0.6882385598712476  0.2286139071831772  0.3380960911016302
  0.1031521675173177  0.8841959064627322  0.0611257296199208
  0.4247420018343715  0.0483277110525085  0.2789831695854076
  0.0671244218917711  0.1479570795130339  0.4290753496337674
  0.3947255566410374  0.2149041796830756  0.4345032000585224
  0.4436043282266532  0.2914256970445375  0.1733151018443481
  0.5761718948153428  0.9370440813128050  0.4223324298100011
  0.8169668817876815  0.0553372765507424  0.0660691695418851
  0.1276727750853438  0.5538968494853745  0.0817461526015853
  0.8401619814286394  0.3662971318998609  0.1167330889059423
  0.5817578358660872  0.6549512065091052  0.6908024273549211
  0.9105588320687843  0.6446841336017585  0.6933500537070418
  0.8671978800901687  0.8232093843996170  0.9452477861697591
  0.0755322252781430  0.3512483356265578  0.6906241902131517
  0.3272971348965897  0.5820233154705902  0.8099098037723207
  0.6197591886801886  0.0924980416084546  0.7989627933454003
  0.1368294099654358  0.9265727392803936  0.5579525356147961
  0.3271015347609699  0.9077735485317301  0.7954387627316656
  0.0506511771750129  0.1185966121675459  0.9340361534274499
  0.3728027305396491  0.1338011918037105  0.9210525056215630
  0.4062781673856042  0.3590027961785455  0.6863654874170111
  0.5480240607514446  0.8483321441469182  0.9204215536241438
  0.8405541340134532  0.0889017176921622  0.5634156340426579
  0.1586142946791562  0.5978225100686130  0.5714782770390782
  0.6203529434662155  0.4167277942238253  0.8154117831178438
  0.8631818621352109  0.4233046349923680  0.5635798475832247
 
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