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    73   120    48     1
Direct
  0.9999695369335058  0.1373052380040036  0.0038730511341214
  0.9999709171059976  0.8627119425105363  0.0038421983635359
  0.4998850263191201  0.5000555426035689  0.8674359292581855
  0.3635891307065435  0.0000182382100320  0.4984517052323127
  0.6364191316087258  0.0000445086034517  0.4989633470111841
  0.3757299583757998  0.5000735760475479  0.0005476366778865
  0.6237777573994023  0.4999468879551614  0.0011081286768473
  0.9998438539237142  0.0000122872574480  0.1380702620712668
  0.9999224300279366  0.0000086344241055  0.8733858860655275
  0.4999613473513165  0.1361970634138601  0.5020568514751886
  0.4999370737119690  0.8638786813453692  0.5020249702789172
  0.4992040401486975  0.5001530421854099  0.1433527706082813
  0.7629572821371511  0.1107612780523581  0.2645738204501598
  0.2309674541131059  0.8929030334539334  0.7342943972878970
  0.2371013258746615  0.8893036086364816  0.2646103295620179
  0.7689111425830717  0.1074476535587650  0.7344342631812140
  0.2310012770960199  0.1071680238679065  0.7342548028989810
  0.7632309205232062  0.8892499945343246  0.2646175285418195
  0.2369885155109657  0.1107670587707901  0.2646288412243649
  0.7687777789314936  0.8924799026431103  0.7343468469978944
  0.5988837968861986  0.2653823508124376  0.2634759760301719
  0.3890609002844485  0.7317280134420017  0.7309509853821510
  0.7572471086822432  0.2685925678705061  0.1062003784824981
  0.2330739000576330  0.7328378848382826  0.8900659222695424
  0.4006944081332762  0.7340586752740919  0.2629720474439452
  0.6108564399577787  0.2686659143170118  0.7312692831320220
  0.2423199485557817  0.2681636640253302  0.1058388868538103
  0.7670489737547967  0.7326292055812544  0.8903163439241268
  0.3891236838303911  0.2683163772777419  0.7310414868425354
  0.5987587164651345  0.7350683956897157  0.2633895882725312
  0.2420994817480135  0.7316819969873976  0.1060039491764400
  0.7669430579995762  0.2673763000682499  0.8903214860525566
  0.4007623964829037  0.2658044393194459  0.2630054712787455
  0.6107245008880113  0.7312438993155936  0.7314981078471945
  0.2330937102712483  0.2671518618337458  0.8901127156382671
  0.7570245422685034  0.7316809448197930  0.1060466288424138
  0.5632707239208088  0.3779350207443102  0.2308460858593193
  0.4440086743954836  0.6397294868381280  0.7868526061925323
  0.4319334393144842  0.6179283664150077  0.2323141635263326
  0.5560714638428976  0.3607624422653828  0.7871626765369157
  0.4335201608163644  0.3806940177575626  0.2317243613953082
  0.5557355090346405  0.6393967420970483  0.7879216546933066
  0.5612497711428475  0.6243158433546441  0.2295888354579745
  0.4443341488840247  0.3600554709245642  0.7873076845586624
  0.7110191655607565  0.0557493156147757  0.3556224032982911
  0.2765394097164275  0.9393527221543820  0.6344111235827086
  0.8562705896466767  0.2154737889142879  0.0557653544069581
  0.1381580155572451  0.7766399533592221  0.9392349543253999
  0.7235092587849863  0.0610374569376830  0.6346301782538646
  0.2889819372283284  0.9440089179951983  0.3553539841941955
  0.1384611515171699  0.2228457071463268  0.9396149576164419
  0.8565071454162663  0.7841133036595238  0.0560008638890963
  0.2880176057959289  0.0566123914309102  0.3557915793236646
  0.7224304396473400  0.9396838485008345  0.6352811717132099
  0.1435397912155736  0.7846957019326126  0.0558316878637228
  0.8619174405744161  0.2234948631344267  0.9393012877821576
  0.2772845233113159  0.0601717471742447  0.6347325066096374
  0.7125047546007437  0.9435074476333867  0.3563937225629203
  0.1433294287903166  0.2157534143667945  0.0561427866337851
  0.8616294977226460  0.7770467799150964  0.9396411824714406
  0.8572591565038721  0.0607352068529821  0.2179300876666943
  0.1383116360790382  0.9456621400397154  0.7914342426244261
  0.1425995265595219  0.9396081604492252  0.2177953639018071
  0.8614950710867717  0.0544527233145971  0.7915134314022580
  0.1380026379503718  0.0547470893846977  0.7908135877228233
  0.8570730096361032  0.9395960779650494  0.2174714098106634
  0.1426719863978008  0.0601176052806522  0.2174590687024249
  0.8617841558998265  0.9451391543002146  0.7908238719796827
  0.5581183804093968  0.2222940032049578  0.3653770209316249
  0.4435198909004967  0.7868487195251745  0.6427578264516782
  0.6822465164944163  0.3472119286690614  0.0436489571853329
  0.2775180142976410  0.6363428136898364  0.9369086554232808
  0.5563501957038568  0.2133639677616515  0.6428899791523506
  0.4418356438127944  0.7774522462341054  0.3652350981869361
  0.3183715427002625  0.3461733132701141  0.0425541980424029
  0.7223822585616091  0.6366229532101499  0.9378260111353427
  0.4430658995491328  0.2140183830575708  0.6424343865733775
  0.5572154330204881  0.7791248037450131  0.3646473529072836
  0.3187980220716611  0.6545155437984249  0.0423048048135044
  0.7221734297869773  0.3636375537123584  0.9376465508531098
  0.4425107110835995  0.2216969030318836  0.3648149862941352
  0.5569058098353068  0.7855052267722868  0.6423042907240770
  0.6839355004564567  0.6518579308939820  0.0443174338813463
  0.2771033091412392  0.3641038081149119  0.9365579622642954
  0.5467388853160031  0.5036711899990962  0.2601942696655968
  0.6742642905702638  0.2743576081615373  0.1815377021229878
  0.3144290353559782  0.7248510364408034  0.8139356824250115
  0.3249885356365780  0.7254233209798073  0.1813417870297727
  0.6855276609945307  0.2754641732225309  0.8142647786445920
  0.3252620003068856  0.2744075505371555  0.1811726110043992
  0.6854836378398801  0.7245398552734983  0.8144036161122230
  0.3144594346026182  0.2752034680941406  0.8139922458377526
  0.6741123674323219  0.7260472385411347  0.1814173763177038
  0.6780389975334202  0.1848492889058306  0.2719450615557903
  0.3135183431658604  0.8159456637121210  0.7251208401672500
  0.7672453810242246  0.1852585930631534  0.1811751820686140
  0.2242422851527266  0.8157934006517280  0.8154459255451556
  0.3218530696475597  0.8149756015954637  0.2717332058644431
  0.6863947642442199  0.1844511443688859  0.7253198405375230
  0.2242881823108647  0.1842263486766385  0.8154634087818238
  0.7673100067458876  0.8148545440405144  0.1811561561934170
  0.3218602112901223  0.1849906875180238  0.2717131515635600
  0.6862917614076238  0.8154478902977687  0.7253404090512419
  0.2325182195303981  0.8149806962018218  0.1810769674155850
  0.7756955617652750  0.1844791718888672  0.8156197294861229
  0.3135747159329512  0.1841105415675059  0.7251583777047941
  0.6781036298802974  0.8153955733164224  0.2719296351705012
  0.2325594129809545  0.1850362555970406  0.1810476572835285
  0.7756800451273733  0.8154922136290281  0.8155760213944561
  0.7381737447285133  0.1565039372037234  0.2412100457117106
  0.2539577666920607  0.8454368756956683  0.7561571847373756
  0.2617385367882292  0.8435435555117365  0.2411257148054489
  0.7459539894213165  0.1549160284585369  0.7563207044214764
  0.2540037753314976  0.1546080144724797  0.7561618126529623
  0.7383225898611272  0.8435955903772054  0.2412285573740647
  0.2617122774812159  0.1564755552644002  0.2411205726770191
  0.7458665898728043  0.8450174226331413  0.7562862521609901
  0.6465997545808335  0.2436413200752412  0.2412213583942631
  0.3428636593402032  0.7552866346983294  0.7544875356358745
  0.7348013657907444  0.2446965826664140  0.1521833477625947
  0.2550345284497411  0.7555365064120494  0.8434036778237299
  0.3529840572914082  0.7560540062883163  0.2409416266076221
  0.6570753267729756  0.2450978761079199  0.7547657247839794
  0.2648447918954631  0.2444595314219242  0.1518794479723340
  0.7449725536371048  0.7552579183314521  0.8436746679920333
  0.3429130182385052  0.2447609537079245  0.7545569543696899
  0.6465016935904373  0.7567409966717165  0.2411298285081926
  0.2646539919645150  0.7554509138753573  0.1519972027133960
  0.7449469987593460  0.2447301368258579  0.8436510142012494
  0.3531051739827689  0.2438168870366937  0.2408680941710628
  0.6569966262860731  0.7548303820804136  0.7548814226736766
  0.2550686913194369  0.2444783658692984  0.8434479001282327
  0.7347195292184239  0.7555560370509156  0.1521005594948548
  0.6396823707281030  0.3359181114010354  0.1510489942307487
  0.3464508140789206  0.6638529037189826  0.8467743430101535
  0.3591259952457051  0.6636875142389016  0.1507738903596945
  0.6534814939915563  0.3363946677261112  0.8472505041028526
  0.3595815776353533  0.3360663472807275  0.1506247686352040
  0.6534340049237244  0.6637093904894513  0.8475718871297815
  0.6395337821854667  0.6645805531685838  0.1508319964109646
  0.3464364857054463  0.3362406682465178  0.8468201079531923
  0.6481757804678381  0.1532073214767493  0.3339781563071256
  0.3453602274626633  0.8483261095273491  0.6643707064594153
  0.8299255876451426  0.1531502745748270  0.1506042001214780
  0.1637743894948898  0.8471231887879114  0.8496066273498712
  0.6545854513968550  0.1520365061334985  0.6645563372957639
  0.3518534576015497  0.8465718121629209  0.3337354478451857
  0.1637994192050130  0.1528562029511065  0.8495546918527168
  0.8299859444746787  0.8468627266083857  0.1505337529619766
  0.3517716254846519  0.1533755270079169  0.3337488173791101
  0.6544006516304748  0.8478041575158812  0.6645789626608618
  0.1698838967322729  0.8471628591516520  0.1505543214757026
  0.8361600323237326  0.1530485792301945  0.8497032993643714
  0.3454580596229988  0.1517915673914416  0.6643969313144069
  0.6483723449097027  0.8470753573236038  0.3339899832025139
  0.1698706841194380  0.1528990260196608  0.1505517504114806
  0.8361554305685033  0.8469744368368310  0.8495845161976163
  0.5881952509270150  0.3795786770958571  0.1807658686455156
  0.4084636363478324  0.6289111795433158  0.8291173024042777
  0.4092329230581555  0.6188708585650460  0.1811998642850767
  0.5915099322130146  0.3714044290203944  0.8295543833209038
  0.4101857543996985  0.3804485871300756  0.1808851660251136
  0.5913435627347283  0.6287555714228077  0.8301704103069198
  0.5871811486129914  0.6216651159796740  0.1800511127936275
  0.4086074788521188  0.3710275581031581  0.8293862357212092
  0.6689327826146894  0.0917907534578219  0.3685101197845455
  0.3225234275740974  0.9067766407853100  0.6262855322362668
  0.8671711095545191  0.1728515153481140  0.0913468262971193
  0.1281931721002465  0.8231974935328239  0.9084320623860336
  0.6774890358663441  0.0935755152387898  0.6265148711642823
  0.3310967010888888  0.9080026708520208  0.3682468428088868
  0.1283505486962966  0.1764950113102941  0.9085647292995560
  0.8673134385774759  0.8269111936219389  0.0914126455410340
  0.3305383426635871  0.0922270250302546  0.3684535563718043
  0.6768000428218883  0.9066809646384328  0.6268480810866066
  0.1326175219022687  0.8273569264793181  0.0913560821282999
  0.8718045320610770  0.1769160396463789  0.9085107369510297
  0.3229965839233344  0.0930971959439617  0.6264577935386981
  0.6698290424847144  0.9080189517134869  0.3688808672444139
  0.1324971934869268  0.1729161643794868  0.0914908058931871
  0.8716618231725235  0.8234156253228804  0.9085904399417046
  0.8676255738187066  0.0940814001433523  0.1737545765300439
  0.1281002538925833  0.9092000829385753  0.8331482168812272
  0.1321625962710442  0.9062044614641209  0.1736825867320064
  0.8717470879571110  0.0909177251279161  0.8332196924664146
  0.1279573053246992  0.0909708231586777  0.8327661567388134
  0.8675809310750040  0.9060709568556362  0.1734661031250724
  0.1322150919522116  0.0937234537665645  0.1734943848314430
  0.8718916036315605  0.9089236112146892  0.8327723272929290
  0.5909579370293869  0.1764118576582163  0.3733092682490664
  0.4074207733457484  0.8291083387005500  0.6304110618763445
  0.6493739401616736  0.3653372765829133  0.0855552470454484
  0.3239327369304874  0.6275444858597652  0.9057453002809126
  0.5925063276812637  0.1711511320095696  0.6305622404522140
  0.4090511501233749  0.8233892443784327  0.3731015262604629
  0.3506406511950644  0.3647701433324002  0.0847042247901371
  0.6759755727134547  0.6276564240432236  0.9066960798277819
  0.4072878485268632  0.1714307719054986  0.6302650254289048
  0.5906528378872480  0.8244951665128326  0.3729590893029240
  0.3506383434857767  0.6354890457552713  0.0845895553261329
  0.6758444005107265  0.3725281513933680  0.9063875521219273
  0.4093127715931288  0.1761006953818338  0.3728948126975382
  0.5926471045159616  0.8281711482967182  0.6302974208380192
  0.6502050995144018  0.6343715363135800  0.0858303509164955
  0.3236994127909938  0.3727221244019603  0.9056090338774965
  0.5707919562356878  0.4305207700676590  0.1360211238915667
  0.4215119851084026  0.5761640889054291  0.8736167676320719
  0.4273363188738273  0.5689388462077716  0.1358817722110928
  0.5783466479734685  0.4240192565783403  0.8741582337558427
  0.4280011956667238  0.4307036931531911  0.1357917849635513
  0.5782974180535874  0.5762103164114265  0.8749089845067459
  0.5702323862508152  0.5703096878104645  0.1355763297822961
  0.4215423583435864  0.4238505369683523  0.8738481634114592
  0.6279683470666768  0.0799135535845608  0.4238497059574300
  0.3667437388825050  0.9204298711022361  0.5738882719515175
  0.9225469913777218  0.1299752983461673  0.0808897939201287
  0.0755084400025154  0.8671316685020827  0.9249177261353623
  0.6332845912535916  0.0798304410190624  0.5741273809235494
  0.3720526248191902  0.9199384741472088  0.4235766589377548
  0.0755787660550382  0.1325706469211525  0.9248673332767439
  0.9226453877241099  0.8697946941069858  0.0808347731459236
  0.3715302452524938  0.0800412844211138  0.4236867004861722
  0.6326256480309098  0.9201864958984629  0.5743520919359781
  0.0771855110875919  0.8701568495725240  0.0809047060925820
  0.9244359460260441  0.1329059947741698  0.9249670905683018
  0.3672151350066599  0.0796822173039899  0.5739834013274887
  0.6287867171848021  0.9202075846719993  0.4240656753515282
  0.0770991621013906  0.1301172168497757  0.0809257888191439
  0.9243603804857869  0.8674302256617068  0.9248683617024298
  0.9227872877796841  0.0806141446997231  0.1324781974027047
  0.0755044561918012  0.9208958995851759  0.8779747214772229
  0.0769314372588212  0.9195631017609784  0.1324458019935904
  0.9243458232541713  0.0791495555777857  0.8780240859101625
  0.0754006340153310  0.0791217068503869  0.8775803202265777
  0.9227774069643289  0.9194085729775381  0.1321871529335183
  0.0769434098883579  0.0804869477136094  0.1322570858801768
  0.9244381169009372  0.9208691012089503  0.8775731212467761
  0.5792042740249386  0.1329208655130714  0.4267745486089041
  0.4199246119216937  0.8719007823500675  0.5764922457889057
  0.6080949129877311  0.4227022830240657  0.0769349829439605
  0.3688296731200467  0.5754108914128437  0.9215100376242376
  0.5800482059542489  0.1283152670431704  0.5766645070913370
  0.4208235290735445  0.8669210490590444  0.4265488091707894
  0.3917302523987587  0.4223632699066258  0.0761754905747196
  0.6310670232969926  0.5756048223461860  0.9226968408660809
  0.4199933058298697  0.1286611352291729  0.5764002016899923
  0.5792303422274472  0.8679244705821958  0.4265632071303997
  0.3916365130614778  0.5778247999012152  0.0760232835731642
  0.6309109054688378  0.4246389939599027  0.9221774858945579
  0.4208372783118222  0.1325681774753349  0.4264176848958030
  0.5799433608807902  0.8710776497449828  0.5765302975392927
  0.6087335384434240  0.5771735244959828  0.0771267843344319
  0.3686180292497667  0.4247945943413001  0.9214858696206107
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