Mg Cu  H  C  N  O                       
   1.00000000000000     
    19.1507000000000005    0.0000000000000000    0.0000000000000000
    -0.0000334870000000   19.1864999999999988    0.0000000000000000
     0.0006410970000000    0.0001349690000000   19.3326999890000018
   Mg   Cu   H    C    N    O 
    11     1    76   121    48     1
Direct
  0.8638934670594978  0.9999757902987909  0.9965209210799202
  0.1362514752516120  0.0000190498059425  0.9965317835047287
  0.5000360906957297  0.5000063577335041  0.1334924765536343
  0.0001284606350538  0.6353228773317454  0.5009600317343441
  0.0001165000271968  0.3647112494514886  0.5009476175345640
  0.5000151503296593  0.6274846938276539  0.9996508512001014
  0.5000925070665119  0.3724564184727726  0.9996886110577705
  0.0001165084268138  0.9999746557195479  0.8614425305040641
  0.0000531434697280  0.0000142121138538  0.1283204105692164
  0.8646110878267379  0.4999620985100535  0.4978694132468107
  0.1358607015768243  0.5000491386040764  0.4979082076211299
  0.5004416928817577  0.4999304004244891  0.8548055889453039
  0.8906811203648886  0.2368874386173161  0.7346795847492302
  0.1073880278613544  0.7681606467293562  0.2648869533440106
  0.1096526277613208  0.7631162977232506  0.7346407903749110
  0.8926461150748963  0.2317991426777226  0.2648683320443368
  0.8925499232978567  0.7681153013859685  0.2650235095416207
  0.1096574482205028  0.2368577298210681  0.7347375176815518
  0.8905692485625067  0.7631741501116736  0.7347530354312823
  0.1075510467082808  0.2318955632256277  0.2650695455324765
  0.7364310474271107  0.3995225993814628  0.7382952204359086
  0.2676423452589276  0.6111189506356922  0.2686070752121879
  0.7349566477878966  0.2404737291094392  0.8949939744497613
  0.2670610457582328  0.7666361934422738  0.1087251134707472
  0.2639102967593630  0.6004821296504872  0.7380914206561400
  0.7323962461337601  0.3888439132018320  0.2686494903947789
  0.7348546854369147  0.7593359496616188  0.8950338033407306
  0.2670376603225222  0.2332830546583722  0.1087049403961018
  0.7323324148389432  0.6110428567599797  0.2684229312487503
  0.2640624274292946  0.3993959508278735  0.7378689995767047
  0.2652504401311333  0.7592859142732209  0.8950632870652129
  0.7329950407375350  0.2333862522373522  0.1087023541044800
  0.7363238370678857  0.6005014138866969  0.7381136627640856
  0.2677317786820481  0.3890060082905791  0.2683722399329653
  0.7330523685357448  0.7667029072679910  0.1086894226463784
  0.2653106277620338  0.2407937452784168  0.8950663906151632
  0.6275179846125596  0.4366369889114310  0.7736017218758704
  0.3590005481043264  0.5559972478091026  0.2134187155621134
  0.3726110886049980  0.5635408043079764  0.7732008466745555
  0.6411091017327166  0.4440565606376623  0.2133773348961654
  0.6272539953608316  0.5635298581769845  0.7733337820638937
  0.3586567868304300  0.4444333929266548  0.2126904158415357
  0.3730562860950428  0.4361819854941800  0.7730317032025198
  0.6414456007254898  0.5555516272909387  0.2126635184086680
  0.9453302774073222  0.2903939235281072  0.6444904233288398
  0.0605032906512122  0.7223824446273923  0.3647219479954629
  0.7870912932627618  0.1429793090427651  0.9445654259565543
  0.2224555907298935  0.8629328887664798  0.0602336973450477
  0.9392855264610205  0.2772538371426165  0.3649257477752315
  0.0551541552575898  0.7098112231647349  0.6443461082563644
  0.7787198775091895  0.8623871980064166  0.0594614306669072
  0.2141232216528977  0.1425884131865942  0.9439974763164969
  0.9438423314454667  0.7118350484470852  0.6434290092474271
  0.0592618635351272  0.2794152611266654  0.3637308810461590
  0.2131861040400054  0.8569974987230040  0.9445928406477364
  0.7775635338452744  0.1370151861606317  0.0602414562199129
  0.9404288494421778  0.7211091583543450  0.3640334771658544
  0.0565842104159415  0.2880313333186137  0.6432831423999801
  0.7859808559813288  0.8574837829631292  0.9439069561097497
  0.2214376732192207  0.1376015409992419  0.0595219498908435
  0.9404029076126150  0.1417217611888688  0.7811345548522723
  0.0547214867199912  0.8601939792558184  0.2090628832133987
  0.0597809940030274  0.8581192273791558  0.7812452481336649
  0.9453435482791335  0.1398395637943892  0.2090054675394057
  0.9445296484240515  0.8608178459981630  0.2104020650149465
  0.0592831297698595  0.1422382641923861  0.7819875138289945
  0.9409268272835263  0.8578080658285572  0.7819942381872096
  0.0555295524380526  0.1392125508956283  0.2103612016073271
  0.7785656634449012  0.4411426913357204  0.6353509859972419
  0.2122376719482659  0.5564199756604467  0.3566522008784716
  0.6514700561048699  0.3074969906285574  0.9556957905782753
  0.3652416664170843  0.7222912699672008  0.0633387990656615
  0.7881297442577733  0.4437079134079767  0.3565218517807551
  0.2217303536694288  0.5588071960420393  0.6352061536664451
  0.6515051903197033  0.6921622496555031  0.9557526889939467
  0.3655761144893788  0.2772356298943350  0.0636222566273617
  0.7864302384198041  0.5571892617068173  0.3573432579997018
  0.2199270514196456  0.4426260202993220  0.6361573917247867
  0.3488050337180226  0.6921586024758497  0.9555794074553177
  0.6347814259185185  0.2776734392962439  0.0633993182896049
  0.7805218979148947  0.5572732970998402  0.6363327422967160
  0.2141042152058432  0.4425737753833872  0.3575532648793569
  0.3485991442355925  0.3079785793765453  0.9556771692786015
  0.6344730687525342  0.7227989163765187  0.0636512230935224
  0.4395582700215925  0.5085137881131701  0.6683339630445673
  0.3907333953853040  0.4616870422434260  0.6043165210574557
  0.4382735759558116  0.5384750542616104  0.5806622978884093
  0.3615315770508261  0.5461008848788680  0.6325324453882715
  0.7281987175159657  0.3234940888203681  0.8199278946561606
  0.2748805091120445  0.6854655612907834  0.1852891733714443
  0.2721136592122875  0.6763844029442652  0.8198394434827136
  0.7251694056793312  0.3145292257701726  0.1853000357962600
  0.7281079564101134  0.6764224503769825  0.8198611683323307
  0.2749388693131749  0.3145360021026207  0.1851955496147539
  0.7251543925588777  0.6854666043453506  0.1851960668730754
  0.2721746612451881  0.3236165718872641  0.8197696136089334
  0.8168805105370467  0.3214349489162132  0.7287052511038681
  0.1837832157633699  0.6860455529168519  0.2741293250821357
  0.8171660942659926  0.2316018797328567  0.8189621733647456
  0.1842589699001564  0.7752802866269803  0.1836023939759883
  0.1834954149656269  0.6786095257723233  0.7285655913563147
  0.8162570955285418  0.3139161910241199  0.2741438083152161
  0.8157794871830433  0.7752755955049153  0.1836484299668513
  0.1831877014275136  0.2316779747911397  0.8189782083727977
  0.8167928890788332  0.6785949314974360  0.7286623186629555
  0.1839010992933510  0.3140553515713691  0.2741153591073839
  0.1831061361199176  0.7683016424450386  0.8189823464393911
  0.8157769600195621  0.2247014943633587  0.1835858417096148
  0.8161741985835320  0.6859861361030397  0.2741344976653792
  0.1835459647668714  0.3213432190391714  0.7285221416570735
  0.8170203015903397  0.7683824284798320  0.8189730357895542
  0.1843128333662065  0.2247343293868838  0.1836660167498749
  0.8453608653379803  0.2612262577363893  0.7587367521528847
  0.1546319024891147  0.7454046961444547  0.2429996846106874
  0.1549770166531701  0.7387703646808035  0.7586783019622416
  0.8454037054116341  0.2545647826963702  0.2429950292857654
  0.8453335452888098  0.7453702964299183  0.2430746870677041
  0.1550320538613548  0.2611929012911034  0.7586881298704071
  0.8452374224920050  0.7388058057506441  0.7587517526442866
  0.1547459197965964  0.2546559920249365  0.2430855494925126
  0.7584471825626338  0.3520051809140341  0.7601478328615059
  0.2442707064203660  0.6570587105584025  0.2448700907112595
  0.7582519006111426  0.2632687276231636  0.8487686670427053
  0.2443276336187168  0.7446688559858714  0.1555514750506148
  0.2419078400324750  0.6479867315544894  0.7599895518142787
  0.7557752187568099  0.3429164749577893  0.2448949191108269
  0.7581321066199109  0.7366343754497393  0.8487536665512962
  0.2443539316510055  0.2553086288846700  0.1555313019759694
  0.7557146774149999  0.6570274391888589  0.2447821567961341
  0.2419830412291120  0.3519786015835109  0.7598835138578011
  0.2420089353873180  0.7365629709349619  0.8487738396259488
  0.7557164401147745  0.2553320827665928  0.1555468197256999
  0.7583605003933016  0.6479742223553444  0.7600469674882717
  0.2443651966710192  0.3430009102826830  0.2447588801715384
  0.7557397502319319  0.7446907466067927  0.1555188877761893
  0.2420733807231557  0.2634553172941665  0.8487484939680527
  0.6666678729285067  0.3563998205365166  0.8508863226222800
  0.3360416957354886  0.6534411867977994  0.1531426030344747
  0.3336236347777159  0.6433755597664330  0.8507326968999678
  0.6640208146769737  0.3465676036933232  0.1531591553008482
  0.6665733421427120  0.6435032532412350  0.8508004577404478
  0.3360751055129469  0.3465399812936738  0.1529900118288126
  0.3336873622844791  0.3565832842786207  0.8506856263924618
  0.6640124800635547  0.6534693326677967  0.1529889773121624
  0.8479958674712833  0.3519573677144479  0.6665556289257140
  0.1512528104174748  0.6541476974801910  0.3349087299592881
  0.8490139390482483  0.1691145015561801  0.8492016122601171
  0.1527067840154359  0.8358152738297164  0.1500245698557521
  0.8488142393497000  0.3457782708786326  0.3349345928755056
  0.1524108503440544  0.6481317622052103  0.6664082103032953
  0.8474317756841714  0.8358277815006048  0.1501844026779509
  0.1513673745067479  0.1692067531897408  0.8493055811833017
  0.8480595699250060  0.6482328742063004  0.6665163172930662
  0.1514501774572992  0.3461217420793687  0.3348590731601604
  0.1512244122950435  0.8307672256150838  0.8492745456838406
  0.8473313941966296  0.1641695856042631  0.1500033622644565
  0.8486414176288122  0.6539730956120309  0.3348994193094512
  0.1523372292577463  0.3516733152123734  0.6663580362458390
  0.8487978697451126  0.8308756352612221  0.8492621314840605
  0.1526690515750246  0.1641846990230960  0.1501988859110313
  0.6245409436054956  0.4095801190076429  0.8227567804316180
  0.3705170045567527  0.5915751638759446  0.1712859560167033
  0.3758965715884273  0.5903280426119153  0.8224883233613198
  0.6295672676670065  0.4084526559279951  0.1712766453668664
  0.6243506728472639  0.5904593844416723  0.8225622913016934
  0.3703694468292653  0.4086012010263005  0.1708281823997240
  0.3761322815204977  0.4094779664626813  0.8223848716964639
  0.6297190332572100  0.5914031711979391  0.1708230098164805
  0.9092193029141953  0.3320561192957570  0.6317534543519159
  0.0929189836043207  0.6766757702971020  0.3729241132434780
  0.8293556804466533  0.1320338440036579  0.9087421834506415
  0.1762212660749114  0.8722527642442301  0.0914197189738459
  0.9070280282933467  0.3230875694128059  0.3730446344330360
  0.0912069765023489  0.6680981289604091  0.6316168981543058
  0.8245223803212482  0.8719963356664167  0.0911745385281364
  0.1714831286520848  0.1318847822575648  0.9085435562541164
  0.9086094885720115  0.6692682252447923  0.6312289544110996
  0.0924578279212867  0.3244682322692682  0.3723934062027752
  0.1708964394095247  0.8678970808554283  0.9087877021831758
  0.8238119585676955  0.1277178048439254  0.0914088565490303
  0.9074620657115346  0.6758606163284782  0.3725656532247541
  0.0917802732668065  0.3306363756709558  0.6310944672467897
  0.8286593513652463  0.8681847852128755  0.9084938994549887
  0.1756079838872679  0.1280096781848599  0.0912024704776471
  0.9073874628287300  0.1314251460098745  0.8256420473644184
  0.0909367249859869  0.8710592043919902  0.1672601344788802
  0.0928336674134869  0.8684438825896734  0.8257206706297069
  0.9091217092047259  0.1289530363016240  0.1672161675213175
  0.9088300384759549  0.8713745244356943  0.1680898168310136
  0.0926981661394635  0.1317102387501734  0.8261468914889107
  0.9074957803762587  0.8683438092658022  0.8261417189056672
  0.0912554924604336  0.1286491708168782  0.1680691264980467
  0.8244608048453088  0.4089273882320512  0.6272972738882956
  0.1702033492669841  0.5922930288930530  0.3689820875541869
  0.6350658099696602  0.3429393838344410  0.9151142887473682
  0.3733133507269955  0.6759464848480761  0.0946029267014268
  0.8300478382422156  0.4077299250163762  0.3689267409134871
  0.1758576812220340  0.5910799440799579  0.6272026156149551
  0.6350350292793010  0.6568418675334371  0.9150884258311578
  0.3734975829906020  0.3237696935477743  0.0946494799506112
  0.8290440082268375  0.5925072398211597  0.3692934770653977
  0.1747785366092103  0.4094793362679425  0.6276603892319343
  0.3652151304393456  0.6567313739104392  0.9149839396496517
  0.6267248805150842  0.3240292510273122  0.0946525835005545
  0.8256182442193705  0.5904597123058082  0.6277726342883057
  0.1712980121419037  0.4074359652024384  0.3693710658140361
  0.3651231999125102  0.3433120421876978  0.9150439416152665
  0.6265693657841140  0.6762550346614375  0.0946696530252567
  0.4073725109230253  0.5135791371195495  0.6215179466311866
  0.5729095216636537  0.4249849100595000  0.8670371965394068
  0.4238543567581274  0.5786867218946696  0.1275134875833501
  0.4276717655632964  0.5749450413748249  0.8665964924471297
  0.5762114362682880  0.4213182596109988  0.1275253845248088
  0.5727165868662496  0.5750221773735902  0.8668199480432150
  0.4237726370670458  0.4213370259586142  0.1270769215576664
  0.4278161458554450  0.4248582617133181  0.8665814919557207
  0.5763015400603848  0.5786773433001571  0.1270867494658248
  0.9207195037993046  0.3732276449841621  0.5763509497555859
  0.0791181763844477  0.6324985059677317  0.4253958321744662
  0.8717066933630093  0.0767620961204400  0.9190464865285008
  0.1324631697210918  0.9248711218582457  0.0757245496403982
  0.9209438573039677  0.3672708713975155  0.4254749726980833
  0.0796191026097048  0.6268846439730567  0.5762687056820255
  0.8682968424818611  0.9247376938465806  0.0758471398632565
  0.1291280933572381  0.0766698438428222  0.9190340723287136
  0.9207215252695633  0.6280083521505873  0.5760690439688574
  0.0791093725871193  0.3686452784299874  0.4250265097309338
  0.1285530923242391  0.9231858835520441  0.9190645905698460
  0.8675919932308673  0.0751226009373411  0.0756997212408379
  0.9209573850274282  0.6316760544413924  0.4251454791455203
  0.0796223215764584  0.3719423688560468  0.5759836963453537
  0.8710387471057857  0.9233693461333985  0.9190288997454701
  0.1318340265898570  0.0752742690172070  0.0758507606715213
  0.9205625232239285  0.0764127370224514  0.8670221960480049
  0.0791058313060873  0.9241854110106331  0.1230774801943753
  0.0796725474172391  0.9234932360480386  0.8670625421972957
  0.9209665268091740  0.0758321421159991  0.1230304096868693
  0.9210050555000109  0.9243944062692790  0.1239107833547806
  0.0797666105594601  0.0765769117762005  0.8674747970817407
  0.9204324004787168  0.9234504945859427  0.8675001427396296
  0.0790943992005211  0.0756319953845690  0.1238844031802486
  0.8676025609366533  0.4212687347699813  0.5736156877368259
  0.1273921200857231  0.5796478210257732  0.4229259236760612
  0.5781125700470113  0.3838373476561685  0.9241321703727579
  0.4253813251585754  0.6313527356943425  0.0795486404317600
  0.8728591097716318  0.4202961937504099  0.4229016125348224
  0.1326662560220697  0.5787617640683038  0.5735665481960197
  0.5780393522441400  0.6159901640275649  0.9240483745242258
  0.4254983577061608  0.3683709523042182  0.0794524303834407
  0.8719194689979233  0.5795081384418239  0.4230733422984798
  0.1315814151522332  0.4212671694531096  0.5738598336658853
  0.4222309537508480  0.6159458631905892  0.9238854381520838
  0.5746558251325169  0.3686179999478441  0.0796034698141312
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