Mg Ni  H  C  N  O                       
   1.00000000000000     
    19.0886999999999993    0.0000000000000000    0.0000000000000000
    -0.0001328190000000   19.0248999999999988    0.0000000000000000
    -0.0000678840000000    0.0004073010000000   19.4471999959999984
   Mg   Ni   H    C    N    O 
    11     1    76   121    48     1
Direct
  0.0001025990611225  0.1371874979874335  0.0038535110460813
  0.0000568323854893  0.8628039276106136  0.0038242009140319
  0.5000809528657442  0.4999950983125103  0.8673048049831991
  0.3638113985782994  0.9999956398073522  0.4982856144839971
  0.6362713969643394  0.0000145662633173  0.4981040973503852
  0.3767928916604220  0.5000330964760735  0.0008417664241307
  0.6244294481215817  0.4999700390001252  0.0000123411082313
  0.0002463345729282  0.9999844236462891  0.1383217121515301
  0.0000446392308362  0.9999996997128520  0.8733416637610247
  0.5000776476202944  0.1364483170110091  0.5018737917030478
  0.5000161749985494  0.8635449129492230  0.5018048871820753
  0.5010318242993179  0.4999858784626596  0.1440233041556667
  0.7626141467984695  0.1107654856219114  0.2644545230705617
  0.2314928981121653  0.8931243181469597  0.7344928834453270
  0.2373134900002114  0.8889987520009157  0.2642838044066593
  0.7687084001673128  0.1067617097835765  0.7344630591004275
  0.2315429579077772  0.1069546159059342  0.7344147230931810
  0.7627012864444183  0.8891737836477631  0.2643830474853743
  0.2372865978601482  0.1109909837961638  0.2642575795516606
  0.7686028111441559  0.8931842431080526  0.7343298779740692
  0.5989110364514545  0.2658433550774220  0.2621009708877580
  0.3894208004807567  0.7317742620736851  0.7312564278109477
  0.7576934370929962  0.2677810197655006  0.1052711958750407
  0.2334086566375717  0.7331826891324127  0.8903919332120580
  0.4011648443080631  0.7341469795654518  0.2630203834511917
  0.6107155139428144  0.2680514604625515  0.7310805670186085
  0.2432246718558702  0.2683292460784727  0.1053920358931677
  0.7666073558232540  0.7332967520722207  0.8903034886030525
  0.3894757257020842  0.2683016522704946  0.7313896089373060
  0.5990295461232620  0.7340376655425587  0.2622552347406852
  0.2431545538737225  0.7316488952051259  0.1054100333426717
  0.7665590567611957  0.2667371375642276  0.8903281708195152
  0.4011364405275941  0.2658627817632606  0.2631057427831465
  0.6105573903354440  0.7319398343180765  0.7312677404934931
  0.2333624542209378  0.2667860187891478  0.8904253570468583
  0.7575997522672111  0.7321918721071086  0.1052105187595558
  0.5670541327261986  0.3805783971911438  0.2309134477417629
  0.4441422611301178  0.6394414321223536  0.7873735038025771
  0.4349011789077437  0.6204834543019189  0.2315983792487586
  0.5557529452697381  0.3600433877578553  0.7870156116637901
  0.4349351251873799  0.3794824503984913  0.2315963223973796
  0.5553960458998972  0.6402440598164034  0.7875905016223612
  0.5670631285290355  0.6193749212834447  0.2309350446811749
  0.4445044104035745  0.3602441564871128  0.7879854170858493
  0.7102055917195216  0.0557898117103051  0.3545564400745747
  0.2764540160743323  0.9391025301592961  0.6341108232823487
  0.8565283315041654  0.2151452718776667  0.0557746102381387
  0.1384068548151305  0.7767671547488106  0.9392503807106962
  0.7238581534476651  0.0610064608226821  0.6338886833341348
  0.2895597649831174  0.9441061691514250  0.3548788515271895
  0.1387812344135781  0.2225387387556879  0.9397203712492725
  0.8567874172868599  0.7842567977339243  0.0560980501164394
  0.2883822179343483  0.0565976821771059  0.3554038628399780
  0.7223969121941565  0.9400439166175758  0.6346430335749389
  0.1435701743617770  0.7845968878876164  0.0556532560071687
  0.8616989848906229  0.2232693707727691  0.9392267269199124
  0.2773667711523871  0.0603042093358113  0.6345376199421082
  0.7120295976388533  0.9430412375958852  0.3554100333940937
  0.1433362399836042  0.2159457965795752  0.0560142334230136
  0.8612942235923455  0.7774383717663653  0.9396514667283000
  0.8575514759467637  0.0606269237509096  0.2181146900773641
  0.1386909213413574  0.9459938047941989  0.7917072896441013
  0.1428494098820678  0.9390809510124285  0.2180576124517799
  0.8613834842794077  0.0539623076866462  0.7917792794421388
  0.1382912890112493  0.0545168634962891  0.7908737506254653
  0.8573155625656312  0.9396828037022615  0.2175979061700630
  0.1430685597131571  0.0605643851205357  0.2176020198728068
  0.8617862542239507  0.9455244378685848  0.7908696369227215
  0.5585086713335201  0.2233510371018994  0.3654649513277946
  0.4439939969970226  0.7872455627139630  0.6429984780622391
  0.6805753457351713  0.3449349679009117  0.0410732650543153
  0.2775672598648242  0.6363696111083001  0.9373549921710804
  0.5560489652641323  0.2125208575788164  0.6431033774822268
  0.4414568816506801  0.7767174133627819  0.3655343700616100
  0.3195900673356959  0.3466505863750626  0.0423747377601629
  0.7229946534018126  0.6359880255992749  0.9364371222461685
  0.4434053666429350  0.2138528082041162  0.6425449423346379
  0.5573002935852003  0.7781928666602624  0.3646715209109104
  0.3195660078180680  0.6533407658337111  0.0423865646555583
  0.7226595789264039  0.3638236476120156  0.9366206962311523
  0.4424101313241451  0.2220858633467557  0.3649841623195087
  0.5568277566986524  0.7859861744109935  0.6423515983056376
  0.6805298312264014  0.6550411973589974  0.0410614381589269
  0.2771834618490772  0.3638798781906658  0.9371580486521793
  0.4152130468650910  0.5009947765563325  0.3056105763926169
  0.3312238298201535  0.4596834888709012  0.3132636061362604
  0.3403493025788862  0.5517708540956789  0.3306594266178493
  0.3769246344835224  0.4884804470183468  0.3887629068223220
  0.6746419953771365  0.2741284587259187  0.1804208318278029
  0.3147695530774826  0.7249745511320285  0.8142925461381196
  0.3258581592036762  0.7254706346262552  0.1810044634047046
  0.6852856278572474  0.2748034633715690  0.8141146284944085
  0.3258880252686751  0.2745037434489745  0.1810240034927446
  0.6852337556456121  0.7252074061899592  0.8141840472282240
  0.3147779479275101  0.2750483999779334  0.8143737917673235
  0.6746393757968363  0.7258259704272092  0.1804444856185867
  0.6778477841833705  0.1850853097909493  0.2712729853698761
  0.3139432034702239  0.8160591941445503  0.7253537785851663
  0.7673333870426404  0.1848727918051125  0.1807586696657140
  0.2246985790938396  0.8160893226751185  0.8157236004804247
  0.3221060970321972  0.8147763920450402  0.2715902546940612
  0.6862051182108360  0.1837546898492874  0.7252648197633107
  0.2247167068535276  0.1839267362009167  0.8157025177538557
  0.7673597742540963  0.8150469324952283  0.1807360443006161
  0.3221111461108777  0.1851909536175143  0.2716087663564153
  0.6860811706297696  0.8162074228245473  0.7252658481889966
  0.2329551239546390  0.8146653265430430  0.1807730676253172
  0.7753995706944607  0.1838032140568018  0.8156937761355252
  0.3139864780061856  0.1840269625353628  0.7253614917778108
  0.6779333660968661  0.8148505113884923  0.2713125797587992
  0.2329596509570919  0.1853411248485770  0.1807848945207127
  0.7753447734145524  0.8162086419834154  0.8156305279558254
  0.7380102955505947  0.1564613698321082  0.2408171870995943
  0.2544266328400084  0.8456523775015583  0.7564019500506802
  0.2620261385471920  0.8432471072559267  0.2408763215765504
  0.7457198146927482  0.1542111619483180  0.7563572135333345
  0.2544694952303459  0.1544072205333009  0.7563695546415659
  0.7380831787389468  0.8434578852007064  0.2408043317785200
  0.2620182186962765  0.1567488863930393  0.2408814637049801
  0.7456182806476264  0.8457648640118975  0.7562924227151058
  0.6466662836935981  0.2438232090364281  0.2401919042824048
  0.3432445146896868  0.7553786126977897  0.7548012054701587
  0.7351156812661088  0.2441788582383140  0.1513374676357202
  0.2554206236965868  0.7558008900703541  0.8437163192323283
  0.3534686362411463  0.7559830492932917  0.2408182155252803
  0.6568511050852308  0.2444003716444669  0.7546495126814463
  0.2654561488827696  0.2446771468983968  0.1516028014627508
  0.7445917048652575  0.7559638358533576  0.8436494715627205
  0.3432750130961537  0.2446831541172045  0.7548747379067180
  0.6467274741210716  0.7561044809401309  0.2402659509318070
  0.2654240786848305  0.7553121569385723  0.1515966309086352
  0.7446080501009078  0.2440573343076693  0.8436525568397855
  0.3534834093708028  0.2439892930037786  0.2408526677857665
  0.6567493643166102  0.7555867624087753  0.7547338435877080
  0.2554107776542125  0.2441982002033214  0.8437517999185005
  0.7350925234528987  0.7557673558036271  0.1513194701862091
  0.6404236401214547  0.3356684694391774  0.1496086840572630
  0.3466325990080819  0.6638933667113562  0.8472546178055964
  0.3605797360045813  0.6639860761542877  0.1505023859785481
  0.6533955745208431  0.3359284457992118  0.8468221648045642
  0.3606046950647368  0.3359890826633318  0.1505059854684490
  0.6533711410259713  0.6640973162946722  0.8469589454208233
  0.6404086390321524  0.6642962149627394  0.1496189683141296
  0.3466282232822380  0.3361024159210686  0.8474011684658791
  0.6478897485821946  0.1536777699962215  0.3333986384329677
  0.3456347363520607  0.8484070538415835  0.6644750916665600
  0.8301167972483796  0.1527628893463628  0.1505188407895233
  0.1641746290070358  0.8474112280254502  0.8498087129972021
  0.6545194391945302  0.1514677814376526  0.6643856186318615
  0.3519859946996604  0.8463242438330099  0.3336439179591224
  0.1641902246402154  0.1525329390244039  0.8497115267698589
  0.8301268671487279  0.8471355287524318  0.1504514789070797
  0.3519371692307089  0.1535416273782246  0.3336434037462723
  0.6542922139853289  0.8484012738167053  0.6643876754832334
  0.1701971685195574  0.8468601007524796  0.1504273109034600
  0.8359331935472909  0.1525544872960864  0.8498251678081843
  0.3457330914590671  0.1517531949513895  0.6644750916665600
  0.6480878766176730  0.8463841699059813  0.3334289769907102
  0.1701981044784873  0.1531881237988486  0.1504134271566926
  0.8358934995309681  0.8475111001387106  0.8496688471038851
  0.5902666360292628  0.3803245575784189  0.1800254021514718
  0.4086286570794684  0.6288465148685773  0.8297040192582372
  0.4114373751174369  0.6199930799784568  0.1808311736765873
  0.5913993908163206  0.3709103478748190  0.8291723231784900
  0.4114639940871498  0.3799786778002598  0.1808311736765873
  0.5912262170479536  0.6292417893339888  0.8295636391520773
  0.5902599193009976  0.6196377730863531  0.1800408285367610
  0.4087934551190955  0.3709949536224499  0.8301153895327076
  0.6683837655070874  0.0920288796469180  0.3677074335364878
  0.3225600972406468  0.9066499668721235  0.6261837180933369
  0.8674204692300549  0.1725009226184540  0.0913262577834004
  0.1284792067179623  0.8233714741899973  0.9085189643565172
  0.6776671482954697  0.0933468785279246  0.6260006583211961
  0.3314723145716130  0.9079453836032059  0.3679624831066590
  0.1286653929662478  0.1762027606391499  0.9086624297397421
  0.8675497055334347  0.8271198670993982  0.0914321856290741
  0.3308008010402474  0.0922759137851230  0.3681990210144832
  0.6767387508673650  0.9070520676733835  0.6263616357370410
  0.1327945887635025  0.8272307782371087  0.0912522111339911
  0.8716264143618346  0.1766442902754122  0.9085220496335751
  0.3231390769332450  0.0931802464868952  0.6263883748048826
  0.6694523736400058  0.9075190969500895  0.3681121190439995
  0.1326826444520250  0.1730959306979969  0.0914018470713316
  0.8714114159249391  0.8237903968918445  0.9086110084554306
  0.8679095101890937  0.0938527503541451  0.1738512485445440
  0.1284287228458538  0.9094460723620656  0.8333343619304259
  0.1324873936714113  0.9058444044991845  0.1737998272602326
  0.8716700768535048  0.0905119373310441  0.8333970958972827
  0.1282485756869107  0.0907332384820805  0.8328268338542983
  0.8678014817017399  0.9062228615995949  0.1735334650075160
  0.1325928045928890  0.0940293678098811  0.1735334650075160
  0.8718460297306052  0.9093041641956319  0.8328155211717529
  0.5910171386876684  0.1771645608877961  0.3730547328917382
  0.4077330017193148  0.8293128055001660  0.6305082481036877
  0.6490145491845496  0.3640689823234098  0.0835210210382016
  0.3240427520980660  0.6276327802102699  0.9062579704854699
  0.5923638304837553  0.1705282651957347  0.6305103049550596
  0.4089495161959249  0.8228951531378783  0.3731909992951543
  0.3518680798253513  0.3649199479574818  0.0846600024856343
  0.6763333705518093  0.6274514538762617  0.9055591552317139
  0.4075487355033474  0.1713598114317278  0.6303041056049850
  0.5905747749673438  0.8237477314310482  0.3726587890025641
  0.3518469091811340  0.6350601326077481  0.0846625735498492
  0.6761430031404601  0.3724692988889089  0.9055601836573999
  0.4093405386435904  0.1763661364699018  0.3729189807011650
  0.5925716696858885  0.8285953321338226  0.6301621828602890
  0.6489823890914082  0.6359100958225312  0.0835205068253586
  0.3238219990224778  0.3724776939151155  0.9062610557625277
  0.3657755193806977  0.5002288421782950  0.3346430335132311
  0.5724180453416849  0.4305518063424003  0.1348867703597207
  0.4216492414356239  0.5761593439186186  0.8742867869666142
  0.4295109085117446  0.5696153282796885  0.1358725163799122
  0.5785488584127449  0.4238757750978976  0.8734727880360111
  0.4295319420907191  0.4303573033364074  0.1358694311028543
  0.5784985806611900  0.5762345174993158  0.8738697603508712
  0.5723996284271351  0.5694192902809689  0.1348985972551091
  0.4216995215149524  0.4237201632124084  0.8747017567309854
  0.6275880172569472  0.0802389308075462  0.4231889424540682
  0.3666950172969763  0.9202842763475232  0.5737057263922196
  0.9228948399000743  0.1297366612597699  0.0810044633841400
  0.0756676969081980  0.8671821285013195  0.9249264677536999
  0.6335203299342638  0.0797195464494465  0.5735334650897883
  0.3723569915436897  0.9197813161171879  0.4233699453748372
  0.0757668341197686  0.1323893059565862  0.9248519068914476
  0.9229733316186213  0.8698956115734688  0.0809705253364967
  0.3717324586980126  0.0800885954144590  0.4234733021562960
  0.6326067873837147  0.9202974157880845  0.5737633182306467
  0.0773714847762434  0.8700879908359127  0.0809797811676702
  0.9244338500736760  0.1328413427924602  0.9249609200141862
  0.3672848101343575  0.0798162553886215  0.5738332511773052
  0.6285619715501838  0.9197886746191486  0.4233828006959115
  0.0772992815895748  0.1302391608250488  0.0809946933401164
  0.9243216150186768  0.8675863378431146  0.9248225967593910
  0.9231718080751676  0.0804590806016918  0.1326720556445480
  0.0756993368359176  0.9209978697586862  0.8780425975725095
  0.0772174696382493  0.9193465387163116  0.1326674277289612
  0.9243992572315705  0.0789918655688027  0.8781140731577040
  0.0755745577233569  0.0789803143810488  0.8775252994523655
  0.9231168758758059  0.9194721701275341  0.1323604426616427
  0.0772697828728113  0.0806803751805276  0.1324087786688892
  0.9245203654021310  0.9210236366526487  0.8775206715367787
  0.5792095164111473  0.1336083921688243  0.4264655066902137
  0.4200571512123616  0.8719528207273157  0.5764310544605777
  0.6081499071028418  0.4218854982891571  0.0750884446244342
  0.3689161144731230  0.5754955041620065  0.9221260646102536
  0.5800728243034214  0.1279504880225488  0.5763806616019522
  0.4208072860379417  0.8664753171704334  0.4265601218533419
  0.3932688589851665  0.4223117564517622  0.0762695915250049
  0.6315615493555455  0.5752421688525260  0.9213377763217991
  0.4201394657150033  0.1287205328679804  0.5763163849965665
  0.5791852838379086  0.8673200077348611  0.4261832038393578
  0.3932510806686622  0.5776739396958277  0.0762695915250049
  0.6313703367646468  0.4247309995031330  0.9212045951954408
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