No title
1
14.453551 -0.183743 -0.320468
-0.178880 14.033116 0.064149
-0.319122 0.065429 13.800606
C H O N F
110 60 25 10 30
Direct configuration= 1
0.07704800 0.04816828 0.95176319
0.92846920 0.02482667 0.76066157
0.95298090 0.94860521 0.82833649
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0.12713535 0.85458504 0.58002059
No title
1
14.432614 -0.210055 -0.345356
-0.205016 13.971931 0.065932
-0.343909 0.067462 13.737843
C H O N F
110 60 25 10 30
Direct configuration= 2
0.07693620 0.04821790 0.95199156
0.92965082 0.02300542 0.76098180
0.95234549 0.94815802 0.82833160
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0.49787489 0.57758661 0.87535808
0.60547681 0.38754376 0.22046744
0.24884297 0.48359899 0.03635840
0.29007333 0.18807419 0.27490390
0.80274334 0.22807177 0.29451960
0.95354847 0.23798552 0.31243388
0.87290218 0.18414932 0.43213828
0.80047125 0.99049011 0.57315804
0.62375174 0.17851167 0.70467620
0.78845560 0.12913931 0.63758010
0.38873462 0.31249369 0.95780007
0.46915154 0.13545936 0.82981994
0.52531986 0.15705986 0.97767451
0.39677417 0.15136363 0.45641976
0.36143404 0.05503801 0.57332288
0.48865583 0.13932799 0.58560888
0.86123813 0.42936798 0.85236353
0.06720642 0.55598655 0.72287106
0.03457135 0.46876790 0.84508226
0.98652418 0.21118362 0.68415814
0.07483696 0.18597981 0.81367714
0.04853206 0.33016849 0.76062261
0.33599356 0.48032491 0.56878092
0.47840351 0.50420239 0.52090807
0.36450890 0.58177755 0.45260505
0.35048035 0.89016147 0.36663299
0.32060330 0.79418359 0.24406045
0.42363876 0.75516991 0.35672867
0.28339443 0.84562108 0.08188837
0.13745556 0.79693967 0.06794604
0.19231500 0.89947853 0.96591372
0.26576760 0.90801337 0.55556178
0.15121920 0.00549688 0.54860875
0.12757540 0.85415760 0.58012149
No title
1
14.440412 -0.213089 -0.348684
-0.208130 13.976529 0.061046
-0.347334 0.062705 13.738355
C H O N F
110 60 25 10 30
Direct configuration= 3
0.07708854 0.04825801 0.95176459
0.92916683 0.02410748 0.76128576
0.95270109 0.94790044 0.82834712
0.02370753 0.96469138 0.92167802
0.06627880 0.06679393 0.05140065
0.97419142 0.93338209 0.01131877
0.95853355 0.00190962 0.66638204
0.99444215 0.87244928 0.76492212
0.96554088 0.99161630 0.17523913
0.94630292 0.07788720 0.21732391
0.88806707 0.08203439 0.29463043
0.93467758 0.90505917 0.21477454
0.87382268 0.90796879 0.28870204
0.84670573 0.99490250 0.32498122
0.71360018 0.05013272 0.39791685
0.71023802 0.10110932 0.48587226
0.64794290 0.17559739 0.49646066
0.65174325 0.06993246 0.32131328
0.58852375 0.14190492 0.33305906
0.58811650 0.19569928 0.41860266
0.87842293 0.18125849 0.33375144
0.76659244 0.07450998 0.56442787
0.84619554 0.47102511 0.09097783
0.85547236 0.57377834 0.12996774
0.92171688 0.59568970 0.04746342
0.89763025 0.49842312 0.00388991
0.77099861 0.40413898 0.06399358
0.81812400 0.49603694 0.92516867
0.91423919 0.58337657 0.22314245
0.01562518 0.59121582 0.09710433
0.67935350 0.39337461 0.90304160
0.59636587 0.34310354 0.94094577
0.54636618 0.28130730 0.86415248
0.67343900 0.42028833 0.80233545
0.60821870 0.38304165 0.73712908
0.53711698 0.31749292 0.76498319
0.38476983 0.26854399 0.68638576
0.34858535 0.21619969 0.60620426
0.25401469 0.21759516 0.58229434
0.32367350 0.30593505 0.74964043
0.22983605 0.30639171 0.72410059
0.19456812 0.26786296 0.63709803
0.51495864 0.19434857 0.88958664
0.40000479 0.14284362 0.55593626
0.75536261 0.84019390 0.73208743
0.66672866 0.85358656 0.79358130
0.61069935 0.85736460 0.69601673
0.69249846 0.82795078 0.63967342
0.80406882 0.74750779 0.74506420
0.69431967 0.72452833 0.61598951
0.65854266 0.95354045 0.83585071
0.60202049 0.96229967 0.67738548
0.80606608 0.59673896 0.64721405
0.89375914 0.57657018 0.68350799
0.92056653 0.48122468 0.70397730
0.75488796 0.52386521 0.59745597
0.78416308 0.43115138 0.60884990
0.85388336 0.40568937 0.67704448
0.84218788 0.26719644 0.79333505
0.92629505 0.24225406 0.83638800
0.92764971 0.20007803 0.92878924
0.75978209 0.23247615 0.83097640
0.76191750 0.17960860 0.91758640
0.84563671 0.16868562 0.96952803
0.00649562 0.49324096 0.75794637
0.00745161 0.24241443 0.77464733
0.55473366 0.44068129 0.95435096
0.48122345 0.42762338 0.11932545
0.54899894 0.51003424 0.12216746
0.58379672 0.52508973 0.01690566
0.49820424 0.47663917 0.87690145
0.53538974 0.60973250 0.96479781
0.51603145 0.34981743 0.17207814
0.62180107 0.47577157 0.19374533
0.46578384 0.62739164 0.79102086
0.45218504 0.57856137 0.70306604
0.41378455 0.62035527 0.61981383
0.44714069 0.72471050 0.79121109
0.41233681 0.76844940 0.70612473
0.39195291 0.71655060 0.62119464
0.27539702 0.72979366 0.49529308
0.26353638 0.74797524 0.39565229
0.17828013 0.72627032 0.34829835
0.20412107 0.68728748 0.54625479
0.12120315 0.66104818 0.49741120
0.10767645 0.68153504 0.39869655
0.39690715 0.54945937 0.53903758
0.33993432 0.79591255 0.34176356
0.21262846 0.39727040 0.18118455
0.30070286 0.34559851 0.21979820
0.29336883 0.27925560 0.13220801
0.20216928 0.32903963 0.09513741
0.24309630 0.49257614 0.13911339
0.21539193 0.39087696 0.00571514
0.29569478 0.28177045 0.30838790
0.28942788 0.17792754 0.17318824
0.25814698 0.56363034 0.97266643
0.25126777 0.65437270 0.01144576
0.23867946 0.73712007 0.95486529
0.26209118 0.55681990 0.87152233
0.25352558 0.63933460 0.81619234
0.24004929 0.72996614 0.85266132
0.25091158 0.88975258 0.77599038
0.21024693 0.95253732 0.70548377
0.21073630 0.04907083 0.73047404
0.31341427 0.92647608 0.84645744
0.31719363 0.02325367 0.86623520
0.25945351 0.08401804 0.81286582
0.21312866 0.81919935 0.01623569
0.18774450 0.93080449 0.59999050
0.13134128 0.08347149 0.91276408
0.89665918 0.08959893 0.78018100
0.89447641 0.91384903 0.86571903
0.07135729 0.90832692 0.90490715
0.97712225 0.14300866 0.18836695
0.95308404 0.83790143 0.18336100
0.84133871 0.84273434 0.31648289
0.64144912 0.20306372 0.56988714
0.65280557 0.02895752 0.25453402
0.53853092 0.15833090 0.27405247
0.53487357 0.24788080 0.42629329
0.01677332 0.87385319 0.61750940
0.74121682 0.50525454 0.26395755
0.79206900 0.61462335 0.13048996
0.91174490 0.65856141 0.00039314
0.95365905 0.45446374 0.98048445
0.61244181 0.30219511 0.00713990
0.72553296 0.47007734 0.77696372
0.60877305 0.40378109 0.66105407
0.22725483 0.17278566 0.52286931
0.34675502 0.33530449 0.81907572
0.18571183 0.33457643 0.77695821
0.12115102 0.27020289 0.61661413
0.06100555 0.59445456 0.24624634
0.80588528 0.90027823 0.73580957
0.65278518 0.79813630 0.84795280
0.54594772 0.81778324 0.68219522
0.70142108 0.87010642 0.57328366
0.93645787 0.63477132 0.71427762
0.68971555 0.53864973 0.55872359
0.74274205 0.37189884 0.57842795
0.99402487 0.18659882 0.96478460
0.69493747 0.23714708 0.78765565
0.69900825 0.14602937 0.94423272
0.84734789 0.13146979 0.03958804
0.62329470 0.09148673 0.75155857
0.43680453 0.35284422 0.98634195
0.41002611 0.43541095 0.09418009
0.52383177 0.57872463 0.14657989
0.65801887 0.54629923 0.01593906
0.46780681 0.50447442 0.69615481
0.45991834 0.76512967 0.85781683
0.39896754 0.84452712 0.70606796
0.16766495 0.74774367 0.27246527
0.20878120 0.68482673 0.62511291
0.06409313 0.63126325 0.53809601
0.03936241 0.66788300 0.36471815
0.65333158 0.34332977 0.25221421
0.15547584 0.40625652 0.22895175
0.36162227 0.39279544 0.22998996
0.34907720 0.28179681 0.08249571
0.14070323 0.28215920 0.08704411
0.24814117 0.65886527 0.09013522
0.27168202 0.49103521 0.83358560
0.25672369 0.63598393 0.73807799
0.17177930 0.09750387 0.68304811
0.35034804 0.87656568 0.89368090
0.35965748 0.04918087 0.92807548
0.25457401 0.15874425 0.83216043
0.29593299 0.13045743 0.32021222
0.09717925 0.13356376 0.10317811
0.91353327 0.87105010 0.01627609
0.96237340 0.04815838 0.58954095
0.03362423 0.79954396 0.79217637
0.78058567 0.98401344 0.39354600
0.73149925 0.33944874 0.10964202
0.78425405 0.57058269 0.88923803
0.88683807 0.57676954 0.30691708
0.08785799 0.57724096 0.05825790
0.47987225 0.28943406 0.69166408
0.85697070 0.72540884 0.81116643
0.63751294 0.67844128 0.56662035
0.68091428 0.97775676 0.91891100
0.58889542 0.99583292 0.59617120
0.84252226 0.31159924 0.70153571
0.45312851 0.42947160 0.81376601
0.53083789 0.69074057 0.99672172
0.49185545 0.26573791 0.18686133
0.69109817 0.53302512 0.22184795
0.35742255 0.76242083 0.53952901
0.26390389 0.56183978 0.18769116
0.20049556 0.36739002 0.92276124
0.30015211 0.30744255 0.39324273
0.29184845 0.10397626 0.13056519
0.22485165 0.79519288 0.77698036
0.00805360 0.99151631 0.08696467
0.98174679 0.90366755 0.67099279
0.75080211 0.42218901 0.96249164
0.00547000 0.59559145 0.19754991
0.77419252 0.68849171 0.66365742
0.62279440 0.01211990 0.76193300
0.49797360 0.57736495 0.87549924
0.60532585 0.38760259 0.22048314
0.24870623 0.48317243 0.03656507
0.28996445 0.18780431 0.27453810
0.80264152 0.22803639 0.29450040
0.95351912 0.23803843 0.31248146
0.87295861 0.18413060 0.43223511
0.80052426 0.99001480 0.57325993
0.62373006 0.17847315 0.70478933
0.78832736 0.12902423 0.63749776
0.38823414 0.31208398 0.95765762
0.46913341 0.13528426 0.82966839
0.52533679 0.15688653 0.97801611
0.39672098 0.15137639 0.45610648
0.36128082 0.05455161 0.57343903
0.48895178 0.13943588 0.58575456
0.86127944 0.42935570 0.85222731
0.06713335 0.55579079 0.72293849
0.03451786 0.46871515 0.84526698
0.98630742 0.21084020 0.68352550
0.07491369 0.18605420 0.81362842
0.04851823 0.33044696 0.76050948
0.33582715 0.48009342 0.56876986
0.47832068 0.50420264 0.52101388
0.36445475 0.58195203 0.45224124
0.35065450 0.89038923 0.36670777
0.32065600 0.79415243 0.24414180
0.42391321 0.75509317 0.35684915
0.28314527 0.84547608 0.08160088
0.13698374 0.79673830 0.06837046
0.19221360 0.89959417 0.96589005
0.26583112 0.90812885 0.55559291
0.15116570 0.00560159 0.54871631
0.12752740 0.85398411 0.58013221
No title
1
14.449993 -0.217190 -0.350915
-0.212112 13.982869 0.062716
-0.349500 0.064409 13.745745
C H O N F
110 60 25 10 30
Direct configuration= 4
0.07712629 0.04819557 0.95170160
0.92913194 0.02434161 0.76129840
0.95286301 0.94789058 0.82832168
0.02354334 0.96446694 0.92164495
0.06636071 0.06690549 0.05153356
0.97429557 0.93327065 0.01134215
0.95863203 0.00185848 0.66628621
0.99431567 0.87233456 0.76496293
0.96556281 0.99159054 0.17530183
0.94627358 0.07805319 0.21731113
0.88801205 0.08196696 0.29461756
0.93454628 0.90494290 0.21488893
0.87369013 0.90782454 0.28875664
0.84661406 0.99478361 0.32498352
0.71356136 0.05007921 0.39774811
0.71022274 0.10123215 0.48593250
0.64798230 0.17572534 0.49627835
0.65171909 0.06989781 0.32118477
0.58847645 0.14186454 0.33293826
0.58812207 0.19581420 0.41853920
0.87856960 0.18143478 0.33379674
0.76651959 0.07459091 0.56462881
0.84616208 0.47089103 0.09097770
0.85551102 0.57382876 0.12988012
0.92173783 0.59591571 0.04751584
0.89756009 0.49835933 0.00389989
0.77101903 0.40401539 0.06414451
0.81806445 0.49624578 0.92490943
0.91408588 0.58329638 0.22379559
0.01556947 0.59129395 0.09702562
0.67947639 0.39339477 0.90297618
0.59630367 0.34312706 0.94091595
0.54632840 0.28128226 0.86429184
0.67348871 0.42027732 0.80253643
0.60810948 0.38301865 0.73690682
0.53713382 0.31743981 0.76497383
0.38480384 0.26859427 0.68653750
0.34845133 0.21622974 0.60616599
0.25389806 0.21758738 0.58209423
0.32373310 0.30604198 0.74975526
0.22998914 0.30650069 0.72403769
0.19450330 0.26788090 0.63688122
0.51488711 0.19424327 0.88952131
0.40011017 0.14282302 0.55578432
0.75532593 0.84022885 0.73206712
0.66669857 0.85369432 0.79368150
0.61066151 0.85716313 0.69604800
0.69243281 0.82796159 0.63954131
0.80373244 0.74772838 0.74472692
0.69459433 0.72473826 0.61613801
0.65854800 0.95337286 0.83557671
0.60205653 0.96221074 0.67787360
0.80605707 0.59688557 0.64721647
0.89379786 0.57663622 0.68347697
0.92064166 0.48140323 0.70382882
0.75483320 0.52401165 0.59736519
0.78409562 0.43118344 0.60871338
0.85393985 0.40553502 0.67704574
0.84214359 0.26714013 0.79309752
0.92639135 0.24206794 0.83653055
0.92775064 0.19993429 0.92894468
0.75993139 0.23263943 0.83070582
0.76220190 0.17987774 0.91755930
0.84589381 0.16867458 0.96985862
0.00670887 0.49340814 0.75780077
0.00775490 0.24233617 0.77496757
0.55464746 0.44069381 0.95442310
0.48093127 0.42759076 0.11940475
0.54895582 0.51019249 0.12218515
0.58389147 0.52520068 0.01712988
0.49813784 0.47670228 0.87679688
0.53542540 0.61024368 0.96489074
0.51594431 0.34991931 0.17215346
0.62187174 0.47592610 0.19397282
0.46585996 0.62751838 0.79105493
0.45235632 0.57856179 0.70314803
0.41382166 0.62035742 0.61979619
0.44713773 0.72477419 0.79123630
0.41228536 0.76845762 0.70615020
0.39189725 0.71655595 0.62102382
0.27534944 0.72977670 0.49529002
0.26356799 0.74807083 0.39546424
0.17820509 0.72631892 0.34822503
0.20414023 0.68717977 0.54638678
0.12110824 0.66109734 0.49743039
0.10753844 0.68160615 0.39871967
0.39729676 0.54910716 0.53888629
0.33975403 0.79601254 0.34155346
0.21283363 0.39742121 0.18100518
0.30058249 0.34556142 0.22012613
0.29322203 0.27907018 0.13214257
0.20210484 0.32901403 0.09498459
0.24281334 0.49172834 0.13890214
0.21546371 0.39100453 0.00706333
0.29570848 0.28189876 0.30929367
0.28939129 0.17924327 0.17382688
0.25810651 0.56359926 0.97283491
0.25117370 0.65457225 0.01157927
0.23853108 0.73706260 0.95485741
0.26207639 0.55682604 0.87148184
0.25355124 0.63923528 0.81603820
0.24004948 0.72998360 0.85256456
0.25087490 0.88965245 0.77606448
0.21015174 0.95280486 0.70550127
0.21072276 0.04905658 0.73045585
0.31352177 0.92646909 0.84658474
0.31715899 0.02355327 0.86634112
0.25950493 0.08410283 0.81292030
0.21396494 0.81947060 0.01627257
0.18770009 0.93070501 0.59991085
0.13142476 0.08354289 0.91266114
0.89662498 0.08942004 0.78009591
0.89431329 0.91381043 0.86591853
0.07130867 0.90803977 0.90472388
0.97714478 0.14307973 0.18838047
0.95311987 0.83777700 0.18337190
0.84134155 0.84265694 0.31660054
0.64147623 0.20331811 0.56997063
0.65279740 0.02899158 0.25439115
0.53841204 0.15830273 0.27390569
0.53482944 0.24807503 0.42619835
0.01669117 0.87378708 0.61728055
0.74111240 0.50534082 0.26395817
0.79199799 0.61463741 0.13059395
0.91170166 0.65871130 0.00032608
0.95374953 0.45448540 0.98060814
0.61237186 0.30224108 0.00740847
0.72563739 0.47025482 0.77689645
0.60865170 0.40385058 0.66091374
0.22713662 0.17283638 0.52254597
0.34684883 0.33535339 0.81901316
0.18577321 0.33480631 0.77694712
0.12112243 0.27016585 0.61644898
0.06108737 0.59436154 0.24638581
0.80577741 0.90030684 0.73581560
0.65285230 0.79798579 0.84799259
0.54574838 0.81764079 0.68220067
0.70159086 0.87005243 0.57316986
0.93660727 0.63494564 0.71422669
0.68961856 0.53872834 0.55852464
0.74251086 0.37172911 0.57825811
0.99426775 0.18660367 0.96497747
0.69509596 0.23714852 0.78751428
0.69895085 0.14605670 0.94422447
0.84741344 0.13150422 0.03964975
0.62334546 0.09148698 0.75141589
0.43699575 0.35311861 0.98662217
0.40994638 0.43537632 0.09408225
0.52372482 0.57894732 0.14673439
0.65802962 0.54625190 0.01598006
0.46799039 0.50431792 0.69633150
0.45992642 0.76525352 0.85792111
0.39889061 0.84461383 0.70597728
0.16764764 0.74763313 0.27227482
0.20895009 0.68462654 0.62522296
0.06407274 0.63115945 0.53812095
0.03913524 0.66785512 0.36459147
0.65328993 0.34333738 0.25232151
0.15535174 0.40621180 0.22926107
0.36180755 0.39297250 0.23014817
0.34906622 0.28174206 0.08236202
0.14062209 0.28201504 0.08689644
0.24818264 0.65912964 0.08996299
0.27163613 0.49062729 0.83363151
0.25681581 0.63569122 0.73777530
0.17186712 0.09750955 0.68299567
0.35052274 0.87647391 0.89392622
0.35977912 0.04924926 0.92830420
0.25464279 0.15879493 0.83220075
0.29586347 0.13032138 0.32034341
0.09727116 0.13374148 0.10329989
0.91338647 0.87083254 0.01630397
0.96243865 0.04831395 0.58939748
0.03370250 0.79947319 0.79222396
0.78058615 0.98401903 0.39365679
0.73146384 0.33949372 0.10974676
0.78422738 0.57055823 0.88933870
0.88695531 0.57671433 0.30663052
0.08787710 0.57730838 0.05836756
0.47982163 0.28926525 0.69154802
0.85757354 0.72528585 0.81150538
0.63709612 0.67815990 0.56596464
0.68101634 0.97791649 0.91938038
0.58864927 0.99605035 0.59539835
0.84268644 0.31138804 0.70138898
0.45302258 0.42943550 0.81356763
0.53099442 0.69077920 0.99676417
0.49168575 0.26554638 0.18689811
0.69119929 0.53305872 0.22207296
0.35762732 0.76244142 0.53957566
0.26430626 0.56266756 0.18831042
0.20015622 0.36714153 0.92151954
0.29990207 0.30725617 0.39250997
0.29194277 0.10258281 0.12983925
0.22477267 0.79487408 0.77668109
0.00807304 0.99136152 0.08701321
0.98165077 0.90352790 0.67097227
0.75085613 0.42199743 0.96244075
0.00543874 0.59562998 0.19768926
0.77409045 0.68826303 0.66336527
0.62271079 0.01219506 0.76188219
0.49803005 0.57726626 0.87548265
0.60528058 0.38776301 0.22058431
0.24877895 0.48333561 0.03658190
0.28985569 0.18783617 0.27473559
0.80255206 0.22797120 0.29450403
0.95348270 0.23814419 0.31255801
0.87305965 0.18413531 0.43236358
0.80036541 0.98984171 0.57336341
0.62369018 0.17846402 0.70491511
0.78823027 0.12906034 0.63769142
0.38811824 0.31199116 0.95774564
0.46913243 0.13504646 0.82946264
0.52532358 0.15673673 0.97822582
0.39663856 0.15139691 0.45580217
0.36121183 0.05414669 0.57353108
0.48914679 0.13960082 0.58587679
0.86130594 0.42939947 0.85211425
0.06720714 0.55564139 0.72298115
0.03441618 0.46870841 0.84540507
0.98615411 0.21050360 0.68310390
0.07506955 0.18618900 0.81359236
0.04847234 0.33069862 0.76036392
0.33567010 0.47978995 0.56865915
0.47824789 0.50411465 0.52111680
0.36448272 0.58206614 0.45189817
0.35088212 0.89057725 0.36677407
0.32071489 0.79410685 0.24414739
0.42407412 0.75507428 0.35698537
0.28301822 0.84537872 0.08139359
0.13672104 0.79657754 0.06874603
0.19213314 0.89969042 0.96593584
0.26586936 0.90828630 0.55566663
0.15110097 0.00566603 0.54888277
0.12753002 0.85377631 0.58016247
No title
1
14.462028 -0.228560 -0.360248
-0.223354 13.980661 0.063157
-0.358723 0.064976 13.745308
C H O N F
110 60 25 10 30
Direct configuration= 5
0.07716669 0.04799550 0.95172570
0.92941838 0.02416178 0.76107570
0.95288546 0.94791880 0.82831793
0.02343286 0.96400303 0.92160439
0.06659651 0.06713595 0.05173740
0.97427507 0.93276778 0.01147402
0.95875125 0.00194953 0.66608257
0.99414062 0.87198875 0.76496497
0.96549378 0.99150357 0.17556708
0.94615367 0.07811185 0.21730622
0.88794178 0.08193604 0.29456180
0.93429622 0.90480911 0.21508436
0.87343058 0.90756276 0.28882425
0.84640876 0.99455316 0.32498081
0.71343257 0.05008484 0.39752371
0.71029359 0.10133065 0.48594135
0.64802953 0.17618528 0.49615570
0.65171302 0.06985454 0.32102396
0.58829484 0.14183284 0.33261985
0.58811399 0.19604683 0.41826514
0.87873680 0.18163446 0.33394658
0.76631346 0.07452736 0.56493754
0.84611669 0.47074078 0.09095661
0.85554082 0.57391811 0.12985695
0.92171699 0.59627353 0.04756409
0.89744423 0.49834763 0.00392280
0.77108458 0.40381051 0.06431837
0.81801241 0.49655073 0.92451073
0.91414811 0.58320913 0.22399701
0.01546964 0.59150995 0.09712923
0.67951586 0.39321123 0.90302066
0.59629903 0.34322609 0.94103736
0.54615835 0.28113348 0.86449163
0.67361306 0.42045343 0.80236625
0.60795971 0.38291257 0.73692525
0.53725135 0.31742236 0.76483175
0.38475061 0.26859769 0.68670577
0.34824992 0.21625140 0.60610490
0.25367186 0.21755797 0.58161212
0.32381938 0.30617700 0.74976557
0.23018718 0.30673268 0.72378777
0.19448933 0.26800847 0.63657295
0.51472698 0.19386180 0.88957542
0.40029978 0.14262491 0.55560381
0.75516665 0.84028247 0.73197766
0.66663677 0.85370382 0.79389070
0.61053667 0.85692699 0.69605545
0.69230084 0.82791330 0.63937583
0.80415280 0.74757546 0.74521282
0.69412884 0.72426916 0.61541608
0.65881118 0.95350347 0.83612851
0.60180689 0.96247671 0.67723525
0.80607404 0.59690558 0.64710115
0.89387221 0.57695386 0.68342263
0.92082791 0.48167236 0.70351797
0.75476692 0.52419411 0.59717798
0.78398057 0.43118433 0.60850963
0.85394104 0.40536903 0.67683950
0.84241695 0.26695430 0.79264653
0.92654362 0.24163448 0.83683065
0.92810911 0.19966091 0.92921988
0.76036760 0.23283605 0.83039885
0.76259348 0.18039335 0.91756152
0.84635064 0.16879438 0.97031434
0.00699373 0.49352671 0.75775456
0.00818935 0.24218777 0.77510591
0.55434508 0.44080472 0.95451308
0.48068846 0.42756785 0.11974401
0.54879940 0.51054204 0.12238723
0.58393621 0.52545509 0.01749248
0.49801227 0.47666498 0.87662737
0.53559899 0.61066256 0.96492645
0.51557371 0.34992672 0.17232856
0.62179191 0.47621076 0.19437385
0.46606433 0.62770682 0.79116258
0.45271018 0.57854412 0.70315364
0.41397030 0.62019290 0.61975670
0.44713036 0.72496626 0.79134433
0.41212234 0.76848790 0.70609792
0.39191832 0.71645570 0.62092092
0.27535005 0.72981667 0.49518131
0.26349801 0.74820898 0.39529202
0.17800818 0.72642577 0.34804998
0.20421582 0.68698024 0.54653151
0.12091461 0.66121688 0.49750745
0.10720401 0.68181169 0.39871314
0.39777213 0.54858154 0.53850940
0.33974780 0.79628975 0.34127252
0.21281713 0.39755714 0.18114435
0.30056097 0.34556926 0.22088554
0.29305901 0.27893771 0.13223771
0.20194467 0.32890730 0.09484218
0.24295563 0.49219673 0.13959052
0.21511171 0.39064573 0.00624528
0.29546700 0.28128992 0.30737841
0.28937571 0.17817921 0.17356830
0.25800494 0.56373535 0.97294659
0.25097669 0.65479030 0.01160274
0.23825922 0.73705650 0.95467329
0.26205199 0.55668774 0.87151534
0.25361340 0.63898430 0.81565773
0.24001852 0.72981810 0.85237163
0.25083687 0.88956814 0.77624605
0.21001262 0.95290033 0.70560147
0.21070154 0.04931164 0.73050294
0.31362065 0.92652528 0.84679657
0.31717726 0.02390320 0.86665228
0.25956199 0.08429060 0.81297940
0.21486719 0.81986476 0.01632986
0.18759991 0.93060086 0.59983243
0.13155244 0.08365856 0.91245384
0.89639521 0.08931069 0.77997644
0.89413305 0.91382449 0.86624561
0.07109223 0.90744869 0.90435107
0.97722133 0.14331774 0.18839618
0.95317473 0.83754299 0.18344788
0.84131133 0.84241446 0.31691497
0.64157108 0.20383856 0.56990173
0.65276396 0.02906740 0.25401406
0.53820421 0.15819873 0.27363997
0.53481246 0.24846449 0.42594978
0.01643293 0.87365734 0.61683678
0.74103662 0.50543685 0.26412044
0.79192659 0.61460500 0.13081994
0.91160298 0.65904594 0.00019582
0.95389593 0.45458260 0.98092706
0.61216466 0.30245134 0.00787591
0.72567478 0.47046655 0.77686030
0.60836772 0.40404917 0.66049651
0.22686971 0.17299553 0.52181297
0.34710835 0.33553546 0.81902050
0.18601834 0.33531060 0.77679518
0.12104936 0.27008328 0.61605495
0.06121686 0.59413504 0.24663364
0.80554403 0.90040392 0.73583507
0.65304954 0.79773259 0.84802396
0.54535282 0.81732954 0.68224001
0.70196812 0.86993855 0.57290403
0.93689684 0.63528233 0.71405277
0.68944918 0.53893925 0.55808416
0.74205103 0.37147725 0.57791256
0.99479175 0.18662617 0.96540691
0.69540871 0.23716241 0.78712623
0.69913776 0.14631082 0.94407567
0.84756926 0.13151243 0.03995716
0.62346013 0.09159049 0.75105380
0.43703954 0.35343102 0.98705000
0.40959314 0.43530637 0.09380718
0.52350860 0.57937308 0.14706527
0.65810239 0.54615300 0.01610070
0.46841047 0.50413628 0.69678448
0.45992460 0.76550587 0.85807889
0.39871962 0.84471830 0.70576336
0.16759641 0.74733714 0.27188500
0.20935537 0.68412988 0.62546650
0.06405017 0.63092803 0.53815456
0.03871955 0.66782131 0.36436161
0.65308280 0.34345052 0.25252014
0.15540080 0.40606742 0.22968085
0.36203404 0.39323020 0.23048585
0.34892063 0.28158876 0.08211922
0.14046938 0.28170262 0.08654160
0.24827139 0.65976839 0.08979049
0.27149086 0.48985396 0.83387934
0.25703612 0.63499947 0.73722425
0.17211605 0.09750141 0.68289851
0.35089437 0.87635486 0.89444942
0.35999774 0.04942504 0.92878374
0.25480394 0.15892787 0.83228832
0.29568301 0.13001734 0.32046397
0.09736488 0.13398397 0.10345266
0.91329500 0.87056861 0.01635424
0.96260184 0.04846407 0.58926792
0.03378414 0.79948068 0.79228659
0.78057465 0.98407482 0.39387764
0.73132097 0.33952488 0.11007566
0.78413035 0.57055112 0.88952300
0.88690074 0.57648938 0.30698092
0.08784524 0.57747216 0.05863905
0.47973995 0.28886744 0.69140850
0.85782053 0.72550226 0.81085102
0.63714186 0.67836247 0.56530453
0.68095133 0.97793356 0.91930162
0.58835539 0.99587423 0.59524599
0.84310937 0.31100758 0.70097120
0.45290699 0.42947449 0.81327387
0.53132236 0.69132905 0.99696693
0.49141640 0.26549734 0.18694809
0.69129332 0.53328979 0.22247890
0.35782318 0.76248225 0.53944399
0.26463610 0.56257783 0.18845661
0.19992819 0.36746959 0.92211701
0.29948840 0.30778964 0.39432480
0.29206330 0.10305782 0.13024469
0.22467579 0.79441104 0.77601498
0.00819936 0.99111598 0.08710786
0.98142221 0.90327290 0.67092899
0.75114140 0.42165141 0.96237658
0.00536190 0.59568858 0.19798538
0.77384393 0.68827008 0.66301643
0.62259393 0.01216422 0.76185656
0.49814831 0.57738491 0.87546878
0.60522163 0.38804988 0.22086262
0.24875446 0.48332394 0.03693746
0.28962640 0.18795501 0.27523030
0.80245531 0.22779308 0.29457779
0.95341398 0.23844168 0.31273413
0.87332252 0.18417661 0.43254827
0.79986606 0.98976086 0.57361759
0.62359711 0.17840102 0.70523257
0.78800795 0.12912140 0.63819161
0.38829452 0.31214496 0.95823882
0.46924657 0.13459523 0.82911487
0.52522734 0.15648064 0.97838052
0.39647017 0.15138505 0.45531440
0.36128077 0.05360192 0.57361992
0.48927869 0.13998646 0.58599550
0.86134433 0.42955402 0.85183774
0.06758383 0.55545299 0.72300567
0.03410625 0.46880436 0.84545893
0.98600077 0.20994252 0.68276867
0.07550225 0.18652466 0.81350223
0.04827192 0.33101892 0.76001225
0.33549786 0.47922365 0.56826239
0.47816504 0.50379413 0.52129062
0.36473405 0.58212013 0.45142033
0.35137474 0.89082695 0.36683376
0.32085362 0.79404007 0.24409492
0.42414277 0.75516937 0.35723349
0.28307508 0.84529235 0.08118602
0.13668076 0.79635986 0.06929380
0.19204921 0.89980782 0.96614874
0.26586362 0.90864020 0.55586019
0.15094998 0.00570580 0.54926246
0.12761241 0.85336880 0.58023778
No title
1
14.457370 -0.232878 -0.364073
-0.227706 13.968258 0.061674
-0.362623 0.063571 13.731709
C H O N F
110 60 25 10 30
Direct configuration= 6
0.07722895 0.04793268 0.95183525
0.92960828 0.02392188 0.76095528
0.95261451 0.94779837 0.82835304
0.02366604 0.96391044 0.92168473
0.06658144 0.06693436 0.05157924
0.97434795 0.93271339 0.01153229
0.95874288 0.00194794 0.66609545
0.99408534 0.87203228 0.76482456
0.96543395 0.99144005 0.17559867
0.94610814 0.07799602 0.21731777
0.88793511 0.08198658 0.29456034
0.93428357 0.90478019 0.21506559
0.87336086 0.90753825 0.28882480
0.84636072 0.99459695 0.32496796
0.71344367 0.05016674 0.39767240
0.71028487 0.10136534 0.48588873
0.64809522 0.17630983 0.49621484
0.65164313 0.06991463 0.32096955
0.58827139 0.14183281 0.33255717
0.58808513 0.19612539 0.41811173
0.87863123 0.18149421 0.33400146
0.76618569 0.07447053 0.56492561
0.84615672 0.47087949 0.09094752
0.85549007 0.57392466 0.12997806
0.92164054 0.59624084 0.04750394
0.89749390 0.49848957 0.00390891
0.77110766 0.40378332 0.06425156
0.81817457 0.49631562 0.92470657
0.91422392 0.58320257 0.22384371
0.01552806 0.59161301 0.09733252
0.67943502 0.39306718 0.90307107
0.59631495 0.34327546 0.94122349
0.54604186 0.28101197 0.86441792
0.67359143 0.42053426 0.80210687
0.60804708 0.38298888 0.73696693
0.53722373 0.31731412 0.76482898
0.38463004 0.26846945 0.68654100
0.34824781 0.21610883 0.60601967
0.25368941 0.21757962 0.58150863
0.32381456 0.30616507 0.74963447
0.23010897 0.30683232 0.72368742
0.19455314 0.26806605 0.63652595
0.51472111 0.19376588 0.88963136
0.40016094 0.14256735 0.55563699
0.75509425 0.84012193 0.73202031
0.66666954 0.85359974 0.79384310
0.61042995 0.85709242 0.69592276
0.69222680 0.82770654 0.63939915
0.80380696 0.74773392 0.74472773
0.69420757 0.72444833 0.61541708
0.65865778 0.95355017 0.83578741
0.60178692 0.96220512 0.67731575
0.80605241 0.59690640 0.64700545
0.89392647 0.57707528 0.68339314
0.92086746 0.48162984 0.70344609
0.75474782 0.52401519 0.59707377
0.78389222 0.43105937 0.60848549
0.85388832 0.40552553 0.67659915
0.84283608 0.26682780 0.79266180
0.92668306 0.24155103 0.83670116
0.92835022 0.19961909 0.92930013
0.76051972 0.23275849 0.83052146
0.76259873 0.18044067 0.91766482
0.84629725 0.16894410 0.97018442
0.00681581 0.49340578 0.75778655
0.00794907 0.24216989 0.77466871
0.55422655 0.44086923 0.95454148
0.48075131 0.42771329 0.11987056
0.54870191 0.51062309 0.12263510
0.58377555 0.52551838 0.01742007
0.49804276 0.47663156 0.87671100
0.53571540 0.61059039 0.96497058
0.51542886 0.34993458 0.17239380
0.62159477 0.47629758 0.19441327
0.46612509 0.62775436 0.79114739
0.45281330 0.57852585 0.70306787
0.41406613 0.61999505 0.61967116
0.44711268 0.72502709 0.79137446
0.41205861 0.76850403 0.70605808
0.39202362 0.71631609 0.62105832
0.27539015 0.72985149 0.49513614
0.26338109 0.74823541 0.39536855
0.17789503 0.72643220 0.34802306
0.20428185 0.68697764 0.54640703
0.12091223 0.66126651 0.49753966
0.10709855 0.68192998 0.39863809
0.39743271 0.54867429 0.53844694
0.34004132 0.79631585 0.34150553
0.21253016 0.39742148 0.18150349
0.30069898 0.34562489 0.22061998
0.29311710 0.27897148 0.13230508
0.20195109 0.32889941 0.09490886
0.24303870 0.49221040 0.13942803
0.21515740 0.39089510 0.00664339
0.29539311 0.28160819 0.30876849
0.28933242 0.17818734 0.17372691
0.25793688 0.56372520 0.97292363
0.25093554 0.65473117 0.01136780
0.23824962 0.73719489 0.95449917
0.26205689 0.55649824 0.87154290
0.25364283 0.63881822 0.81556375
0.23996886 0.72957484 0.85220883
0.25079779 0.88960010 0.77622069
0.21005408 0.95262812 0.70573593
0.21073573 0.04938355 0.73057210
0.31360839 0.92654678 0.84693980
0.31723471 0.02369772 0.86677601
0.25959417 0.08434504 0.81304287
0.21405585 0.81962654 0.01621075
0.18758353 0.93065544 0.60000062
0.13145049 0.08359011 0.91246426
0.89631281 0.08928169 0.77991993
0.89425028 0.91394810 0.86620017
0.07091300 0.90731976 0.90428439
0.97722538 0.14337306 0.18842623
0.95314451 0.83756781 0.18356073
0.84126448 0.84226174 0.31705797
0.64163052 0.20399008 0.56970671
0.65274303 0.02910947 0.25387968
0.53816277 0.15813105 0.27356970
0.53490609 0.24851554 0.42581567
0.01623830 0.87365610 0.61683691
0.74118049 0.50538539 0.26433688
0.79200193 0.61452628 0.13088899
0.91157597 0.65913165 0.00019188
0.95385679 0.45467780 0.98107375
0.61206132 0.30262007 0.00790533
0.72558476 0.47044392 0.77689579
0.60825346 0.40408182 0.66049022
0.22678306 0.17309833 0.52156379
0.34722115 0.33563707 0.81910355
0.18620966 0.33544740 0.77658613
0.12106693 0.27006885 0.61591978
0.06117137 0.59404456 0.24666211
0.80547725 0.90048144 0.73583419
0.65313212 0.79768633 0.84801058
0.54534263 0.81726850 0.68228656
0.70206924 0.86988055 0.57285629
0.93696817 0.63536865 0.71394307
0.68950344 0.53901030 0.55798492
0.74200164 0.37157219 0.57786563
0.99491310 0.18664328 0.96552362
0.69552895 0.23716869 0.78697359
0.69947513 0.14657947 0.94392091
0.84762895 0.13147543 0.04018816
0.62349699 0.09161601 0.75095983
0.43688636 0.35341295 0.98711711
0.40948413 0.43527104 0.09372532
0.52346973 0.57942306 0.14714601
0.65815037 0.54613112 0.01618493
0.46855279 0.50425454 0.69695638
0.45990898 0.76557729 0.85807974
0.39866125 0.84466602 0.70568085
0.16755912 0.74720263 0.27179204
0.20951129 0.68392751 0.62548967
0.06405576 0.63085633 0.53814977
0.03869135 0.66784748 0.36435738
0.65295242 0.34356453 0.25257340
0.15564048 0.40597524 0.22963688
0.36192603 0.39317087 0.23063309
0.34870578 0.28154002 0.08217678
0.14044370 0.28162257 0.08644616
0.24828891 0.66002015 0.08990798
0.27140674 0.48982276 0.83412165
0.25711720 0.63475979 0.73720462
0.17219109 0.09755665 0.68283246
0.35092766 0.87648589 0.89450042
0.36000817 0.04950370 0.92888706
0.25486601 0.15902452 0.83231852
0.29559631 0.13006233 0.32050737
0.09737970 0.13403438 0.10349607
0.91322974 0.87041786 0.01638438
0.96265997 0.04839765 0.58928144
0.03379876 0.79945506 0.79232925
0.78054200 0.98414103 0.39388756
0.73123315 0.33951082 0.11022797
0.78400560 0.57073938 0.88945054
0.88686003 0.57638111 0.30717337
0.08769624 0.57755803 0.05880953
0.47978353 0.28877508 0.69150457
0.85814934 0.72545261 0.81091674
0.63699751 0.67827394 0.56487411
0.68101392 0.97802267 0.91952821
0.58823328 0.99585114 0.59518584
0.84332235 0.31099198 0.70074070
0.45292857 0.42953116 0.81325081
0.53143473 0.69149105 0.99695109
0.49136177 0.26559811 0.18697146
0.69116969 0.53350194 0.22250241
0.35768720 0.76245499 0.53924770
0.26477868 0.56263209 0.18860515
0.19973414 0.36743662 0.92185464
0.29925515 0.30747064 0.39327934
0.29212059 0.10306224 0.13038769
0.22476757 0.79458533 0.77589644
0.00826991 0.99114244 0.08725883
0.98138995 0.90321728 0.67078120
0.75125169 0.42156683 0.96233986
0.00539947 0.59567823 0.19803936
0.77386111 0.68838768 0.66312156
0.62262145 0.01209827 0.76183854
0.49820509 0.57765395 0.87553785
0.60516782 0.38804159 0.22098592
0.24870298 0.48334031 0.03703344
0.28955268 0.18763965 0.27505200
0.80252498 0.22771300 0.29466827
0.95340945 0.23859706 0.31278452
0.87343665 0.18421299 0.43253919
0.79963799 0.98990436 0.57375493
0.62356204 0.17839997 0.70532182
0.78790304 0.12905832 0.63833798
0.38855404 0.31237069 0.95852975
0.46937380 0.13449133 0.82911504
0.52513135 0.15640348 0.97824082
0.39646544 0.15126968 0.45546306
0.36154739 0.05378786 0.57352659
0.48908873 0.14008506 0.58587964
0.86132271 0.42967279 0.85171496
0.06788240 0.55550519 0.72296790
0.03399688 0.46889568 0.84539596
0.98615446 0.20994894 0.68324058
0.07575857 0.18665077 0.81347769
0.04813713 0.33088732 0.75987236
0.33565964 0.47920927 0.56796982
0.47827329 0.50354556 0.52125870
0.36500751 0.58193390 0.45153508
0.35151120 0.89079765 0.36674964
0.32090251 0.79407532 0.24394969
0.42391598 0.75531932 0.35724385
0.28354018 0.84544979 0.08146363
0.13723322 0.79644508 0.06917308
0.19211925 0.89981733 0.96630842
0.26577932 0.90873291 0.55591726
0.15086768 0.00563282 0.54934066
0.12769922 0.85330533 0.58025027
No title
1
14.456527 -0.240730 -0.371727
-0.235552 13.955774 0.060103
-0.370286 0.062111 13.717522
C H O N F
110 60 25 10 30
Direct configuration= 7
0.07743485 0.04778542 0.95174275
0.92946992 0.02436152 0.76113024
0.95258530 0.94751090 0.82822390
0.02381388 0.96371855 0.92185211
0.06667083 0.06693588 0.05184041
0.97436516 0.93241469 0.01165437
0.95886758 0.00170588 0.66595643
0.99398720 0.87184308 0.76482584
0.96544066 0.99141199 0.17554637
0.94611186 0.07816980 0.21729028
0.88784836 0.08192910 0.29459764
0.93416376 0.90455402 0.21515032
0.87314682 0.90740975 0.28891480
0.84625348 0.99461554 0.32494267
0.71345150 0.05021671 0.39768435
0.71012536 0.10169996 0.48595312
0.64822008 0.17639275 0.49585700
0.65150554 0.06995440 0.32073250
0.58827857 0.14179684 0.33246148
0.58816517 0.19627241 0.41801211
0.87865310 0.18146953 0.33402433
0.76589610 0.07478161 0.56511180
0.84616670 0.47097902 0.09097344
0.85552591 0.57395022 0.13007202
0.92160331 0.59644143 0.04754479
0.89756706 0.49863091 0.00389108
0.77114782 0.40364105 0.06436464
0.81822908 0.49632403 0.92468286
0.91415670 0.58314643 0.22417251
0.01530888 0.59182351 0.09754272
0.67960424 0.39308543 0.90288100
0.59606476 0.34333481 0.94126366
0.54599578 0.28104471 0.86444745
0.67347179 0.42037294 0.80244486
0.60802376 0.38314444 0.73645780
0.53711606 0.31701925 0.76499816
0.38457838 0.26833601 0.68643288
0.34810069 0.21586264 0.60576226
0.25363004 0.21763342 0.58128869
0.32389029 0.30628554 0.74968701
0.23019754 0.30702188 0.72348398
0.19453565 0.26807278 0.63615474
0.51467065 0.19363835 0.88952936
0.39996936 0.14265177 0.55562546
0.75496894 0.84012812 0.73207990
0.66666358 0.85355811 0.79372157
0.61029306 0.85689000 0.69576849
0.69203213 0.82774258 0.63924443
0.80429196 0.74750392 0.74513024
0.69380924 0.72415935 0.61489040
0.65874005 0.95363903 0.83613920
0.60162985 0.96216875 0.67700498
0.80610347 0.59699733 0.64690660
0.89398758 0.57712485 0.68326917
0.92079075 0.48174358 0.70313766
0.75463135 0.52395759 0.59684702
0.78365660 0.43093157 0.60827441
0.85399235 0.40553282 0.67639000
0.84313859 0.26663602 0.79259627
0.92714310 0.24136219 0.83650206
0.92863280 0.19951914 0.92947562
0.76075973 0.23286677 0.83029950
0.76302808 0.18071563 0.91772584
0.84646335 0.16900582 0.97044890
0.00689331 0.49357763 0.75754334
0.00797577 0.24207140 0.77471174
0.55415314 0.44087888 0.95475235
0.48026002 0.42802836 0.11991442
0.54853794 0.51082530 0.12289696
0.58372608 0.52566360 0.01752096
0.49801985 0.47687897 0.87673640
0.53587669 0.61089697 0.96511044
0.51534663 0.35009290 0.17259509
0.62151833 0.47657383 0.19470796
0.46622699 0.62795492 0.79105448
0.45308299 0.57858648 0.70314496
0.41417299 0.61985044 0.61949077
0.44707742 0.72513253 0.79138562
0.41200332 0.76848355 0.70611008
0.39201000 0.71619476 0.62084011
0.27529633 0.72981828 0.49512759
0.26330391 0.74841103 0.39517653
0.17773966 0.72650145 0.34792252
0.20434256 0.68687532 0.54642906
0.12087963 0.66136143 0.49749578
0.10689195 0.68210582 0.39864145
0.39744620 0.54850757 0.53843361
0.33998354 0.79630482 0.34158997
0.21277143 0.39723849 0.18148170
0.30063213 0.34560658 0.22050512
0.29305857 0.27901378 0.13242945
0.20180223 0.32874833 0.09518276
0.24320951 0.49267469 0.13999679
0.21493817 0.39084128 0.00597930
0.29522876 0.28158941 0.30911518
0.28925515 0.17837473 0.17397271
0.25784803 0.56369280 0.97293150
0.25081774 0.65487895 0.01137667
0.23814140 0.73721690 0.95422474
0.26204350 0.55622845 0.87152610
0.25370089 0.63845960 0.81542098
0.23986964 0.72945922 0.85172268
0.25078585 0.88955063 0.77630114
0.21001075 0.95280611 0.70591222
0.21083372 0.04914671 0.73064331
0.31366340 0.92641582 0.84724727
0.31726234 0.02377366 0.86701676
0.25975769 0.08440000 0.81326996
0.21392570 0.81956283 0.01633676
0.18753886 0.93056809 0.60027924
0.13130226 0.08350685 0.91246596
0.89635371 0.08879189 0.77967016
0.89417233 0.91403085 0.86630720
0.07068671 0.90690472 0.90407191
0.97718928 0.14335371 0.18852520
0.95310914 0.83752285 0.18374864
0.84120537 0.84201863 0.31730927
0.64173605 0.20441787 0.56961413
0.65270518 0.02921932 0.25366127
0.53798774 0.15801229 0.27330880
0.53501356 0.24870454 0.42554347
0.01595858 0.87356368 0.61665553
0.74114162 0.50549155 0.26449501
0.79201117 0.61445502 0.13105214
0.91151401 0.65932112 0.00016624
0.95386225 0.45482287 0.98133939
0.61190581 0.30282478 0.00821562
0.72569536 0.47069709 0.77680930
0.60800100 0.40411776 0.66054878
0.22659305 0.17328868 0.52103695
0.34738007 0.33574409 0.81904253
0.18643274 0.33582727 0.77634239
0.12112826 0.27004595 0.61563272
0.06119010 0.59385818 0.24684058
0.80528009 0.90055461 0.73583014
0.65325963 0.79751516 0.84805599
0.54526904 0.81713274 0.68234534
0.70225739 0.86969495 0.57283958
0.93720027 0.63568040 0.71379062
0.68956520 0.53912619 0.55774965
0.74178367 0.37156557 0.57769150
0.99523742 0.18666335 0.96581324
0.69593799 0.23717047 0.78676637
0.69970457 0.14687910 0.94381624
0.84774421 0.13156122 0.04037728
0.62355914 0.09170902 0.75075643
0.43723060 0.35392227 0.98763733
0.40955110 0.43518540 0.09365119
0.52334501 0.57965696 0.14736528
0.65812848 0.54606772 0.01635678
0.46889725 0.50425374 0.69725072
0.45989288 0.76578045 0.85818961
0.39850413 0.84469789 0.70549788
0.16748415 0.74695599 0.27153434
0.20983526 0.68352287 0.62545596
0.06404279 0.63069745 0.53817889
0.03849766 0.66788382 0.36427700
0.65285981 0.34365122 0.25279155
0.15561222 0.40585742 0.23001123
0.36192282 0.39324650 0.23094124
0.34841072 0.28143337 0.08217634
0.14042800 0.28145641 0.08621183
0.24834017 0.66046975 0.08985137
0.27126727 0.48952243 0.83449153
0.25729163 0.63424947 0.73700415
0.17229627 0.09770039 0.68266762
0.35103274 0.87666772 0.89466723
0.36006939 0.04964037 0.92915198
0.25500879 0.15925097 0.83242232
0.29543314 0.12987034 0.32070857
0.09736818 0.13402101 0.10345137
0.91322578 0.87022626 0.01643835
0.96275408 0.04846599 0.58909529
0.03381829 0.79949821 0.79235009
0.78047243 0.98423431 0.39395385
0.73112680 0.33959649 0.11042796
0.78393119 0.57071824 0.88953386
0.88694001 0.57619298 0.30714653
0.08771953 0.57769281 0.05901546
0.47974284 0.28855772 0.69150402
0.85798465 0.72575146 0.81004303
0.63718750 0.67844745 0.56440015
0.68094856 0.97804628 0.91932793
0.58801798 0.99568436 0.59525520
0.84377598 0.31088128 0.70034698
0.45288238 0.42953157 0.81306296
0.53172018 0.69171750 0.99695988
0.49109427 0.26544449 0.18705607
0.69120692 0.53369360 0.22283061
0.35784270 0.76234443 0.53926836
0.26497975 0.56237031 0.18857435
0.19956344 0.36771860 0.92251797
0.29884589 0.30743817 0.39332575
0.29224574 0.10271662 0.13041639
0.22489502 0.79444656 0.77571145
0.00834048 0.99101414 0.08746466
0.98124964 0.90309897 0.67051315
0.75125833 0.42124523 0.96219462
0.00542314 0.59568972 0.19827128
0.77373041 0.68838304 0.66299981
0.62259553 0.01208417 0.76168561
0.49833238 0.57773469 0.87564410
0.60487781 0.38819879 0.22114122
0.24862951 0.48338968 0.03710358
0.28936521 0.18746748 0.27506214
0.80251003 0.22759345 0.29477797
0.95337536 0.23885555 0.31287681
0.87364008 0.18423630 0.43272862
0.79935287 0.98971202 0.57405672
0.62348079 0.17838122 0.70550353
0.78765153 0.12894189 0.63858765
0.38840200 0.31225896 0.95870996
0.46950286 0.13410295 0.82893720
0.52499829 0.15610876 0.97836003
0.39639380 0.15112676 0.45540464
0.36182108 0.05365992 0.57347519
0.48906617 0.14032475 0.58580854
0.86128346 0.42988966 0.85147083
0.06816043 0.55533317 0.72299785
0.03382870 0.46895671 0.84556777
0.98619880 0.20961270 0.68327011
0.07615813 0.18693647 0.81340760
0.04796610 0.33098150 0.75954230
0.33569206 0.47894464 0.56750721
0.47834589 0.50316839 0.52126405
0.36532698 0.58181628 0.45127456
0.35184234 0.89101231 0.36669669
0.32103165 0.79411540 0.24384213
0.42392039 0.75539625 0.35738752
0.28385579 0.84549329 0.08141305
0.13770361 0.79640754 0.06930906
0.19210517 0.90002183 0.96647242
0.26573779 0.90893198 0.55598494
0.15065502 0.00562512 0.54947849
0.12776774 0.85308745 0.58027494
No title
1
14.458576 -0.242303 -0.372351
-0.237089 13.955999 0.060626
-0.370887 0.062650 13.719129
C H O N F
110 60 25 10 30
Direct configuration= 8
0.07740814 0.04771393 0.95183041
0.92960660 0.02409960 0.76104590
0.95256842 0.94756774 0.82818806
0.02381000 0.96364005 0.92185714
0.06667697 0.06686233 0.05178838
0.97443839 0.93241521 0.01167325
0.95884639 0.00177100 0.66593321
0.99392816 0.87186254 0.76476327
0.96540076 0.99140664 0.17562614
0.94608094 0.07811286 0.21731301
0.88786511 0.08194701 0.29456597
0.93411156 0.90460111 0.21520729
0.87312064 0.90735968 0.28891187
0.84620783 0.99457886 0.32495470
0.71339615 0.05024890 0.39761816
0.71015518 0.10167157 0.48591945
0.64819862 0.17653485 0.49592211
0.65154818 0.06993967 0.32075984
0.58821479 0.14181222 0.33236964
0.58816234 0.19630850 0.41793840
0.87867989 0.18150365 0.33405475
0.76587511 0.07468582 0.56514133
0.84615962 0.47095669 0.09097659
0.85552245 0.57397668 0.13008104
0.92159474 0.59652058 0.04757341
0.89754483 0.49863840 0.00390114
0.77117496 0.40365351 0.06437253
0.81821236 0.49636407 0.92462620
0.91419598 0.58314645 0.22413081
0.01538806 0.59184876 0.09753372
0.67951895 0.39298707 0.90293993
0.59607689 0.34338053 0.94128086
0.54597147 0.28101304 0.86451011
0.67352801 0.42047721 0.80227103
0.60794108 0.38303580 0.73665385
0.53719077 0.31709912 0.76490475
0.38456502 0.26831994 0.68644552
0.34806296 0.21589702 0.60578195
0.25357832 0.21759366 0.58116121
0.32389728 0.30627651 0.74962030
0.23024805 0.30705552 0.72342420
0.19454302 0.26810559 0.63611567
0.51465531 0.19357474 0.88955103
0.40001350 0.14261803 0.55558275
0.75495130 0.84010637 0.73207883
0.66665327 0.85353732 0.79375136
0.61029960 0.85685908 0.69575330
0.69200943 0.82768360 0.63924003
0.80380101 0.74775686 0.74456505
0.69402936 0.72435411 0.61506383
0.65866498 0.95354825 0.83585139
0.60163983 0.96206374 0.67722284
0.80608122 0.59700295 0.64686102
0.89400987 0.57720989 0.68323040
0.92082664 0.48176957 0.70308382
0.75465322 0.52397071 0.59683108
0.78365535 0.43096193 0.60825779
0.85397424 0.40549965 0.67631283
0.84318791 0.26664236 0.79250051
0.92716283 0.24128261 0.83661669
0.92868380 0.19951751 0.92946316
0.76089063 0.23288526 0.83029023
0.76304725 0.18077759 0.91769131
0.84660449 0.16903269 0.97051347
0.00691567 0.49357216 0.75755468
0.00810029 0.24205112 0.77472014
0.55409065 0.44089157 0.95476467
0.48033096 0.42800326 0.12002313
0.54849744 0.51089908 0.12291466
0.58374989 0.52569259 0.01761171
0.49800082 0.47685534 0.87672089
0.53591871 0.61090651 0.96511837
0.51525318 0.35009899 0.17260975
0.62147389 0.47662128 0.19476889
0.46627434 0.62797411 0.79110649
0.45313112 0.57858628 0.70310324
0.41420240 0.61985363 0.61949824
0.44707564 0.72518566 0.79142894
0.41197304 0.76848830 0.70606507
0.39203454 0.71615773 0.62084947
0.27530754 0.72983316 0.49509233
0.26327691 0.74842604 0.39518667
0.17770647 0.72652660 0.34787439
0.20435608 0.68684295 0.54643854
0.12082824 0.66135106 0.49751789
0.10685352 0.68214571 0.39862483
0.39754537 0.54841643 0.53837610
0.33998329 0.79635606 0.34152649
0.21273986 0.39730059 0.18155021
0.30064636 0.34559762 0.22065884
0.29300188 0.27897072 0.13242921
0.20180182 0.32875892 0.09510322
0.24306434 0.49215972 0.13971689
0.21502172 0.39099451 0.00681546
0.29516793 0.28143897 0.30855751
0.28925702 0.17826264 0.17393213
0.25782848 0.56368098 0.97297530
0.25079882 0.65491663 0.01135211
0.23810063 0.73720468 0.95416476
0.26202994 0.55623559 0.87157208
0.25370734 0.63840895 0.81534998
0.23986632 0.72941512 0.85171028
0.25082668 0.88954079 0.77637173
0.20999508 0.95273358 0.70592999
0.21081555 0.04929928 0.73065237
0.31363069 0.92645002 0.84724504
0.31728185 0.02379609 0.86708899
0.25977280 0.08442276 0.81330339
0.21410321 0.81962430 0.01632476
0.18751634 0.93056560 0.60026115
0.13133589 0.08353044 0.91241915
0.89626011 0.08888439 0.77967539
0.89413596 0.91402721 0.86634191
0.07064988 0.90680130 0.90402727
0.97720674 0.14341091 0.18852614
0.95311446 0.83744689 0.18376974
0.84119041 0.84197286 0.31736497
0.64176881 0.20449679 0.56954537
0.65269064 0.02922759 0.25358026
0.53796614 0.15797835 0.27327139
0.53503401 0.24875527 0.42548596
0.01593460 0.87351174 0.61654891
0.74114429 0.50551350 0.26454178
0.79200139 0.61444864 0.13108938
0.91149816 0.65937287 0.00015792
0.95389288 0.45484014 0.98138664
0.61186950 0.30286377 0.00828151
0.72564873 0.47068126 0.77683884
0.60794744 0.40417403 0.66039674
0.22655224 0.17333841 0.52092771
0.34743013 0.33578076 0.81906277
0.18645480 0.33592732 0.77630502
0.12111554 0.27004154 0.61554980
0.06122815 0.59381239 0.24691081
0.80524177 0.90058203 0.73582912
0.65328342 0.79748518 0.84805193
0.54521194 0.81707280 0.68234220
0.70229796 0.86968321 0.57279561
0.93724195 0.63572261 0.71374233
0.68953740 0.53915044 0.55766883
0.74169378 0.37149739 0.57762200
0.99531734 0.18666479 0.96588675
0.69599257 0.23717728 0.78669475
0.69974354 0.14694219 0.94380759
0.84776848 0.13157897 0.04043370
0.62356834 0.09171405 0.75071677
0.43719637 0.35394501 0.98769237
0.40942935 0.43519016 0.09358946
0.52331574 0.57973329 0.14742137
0.65812693 0.54606043 0.01640255
0.46898217 0.50424632 0.69731044
0.45988821 0.76582596 0.85821753
0.39846730 0.84471010 0.70545904
0.16746002 0.74690551 0.27146257
0.20991060 0.68342722 0.62547219
0.06405460 0.63067146 0.53817550
0.03843725 0.66789360 0.36425279
0.65280739 0.34368876 0.25282492
0.15565337 0.40581922 0.23006416
0.36193287 0.39326953 0.23100472
0.34837439 0.28141259 0.08214917
0.14039505 0.28139967 0.08617460
0.24834824 0.66057053 0.08983983
0.27124982 0.48937946 0.83452667
0.25733378 0.63412697 0.73694435
0.17236127 0.09767700 0.68267935
0.35109362 0.87664862 0.89476146
0.36009604 0.04967556 0.92923460
0.25504717 0.15928507 0.83244659
0.29539236 0.12981150 0.32073239
0.09740738 0.13411432 0.10352736
0.91317233 0.87011960 0.01645300
0.96277658 0.04844862 0.58907712
0.03385499 0.79944104 0.79237380
0.78046536 0.98424958 0.39397803
0.73108138 0.33958098 0.11050338
0.78393188 0.57069456 0.88957506
0.88691426 0.57613703 0.30728867
0.08764056 0.57774628 0.05910236
0.47968420 0.28847761 0.69147950
0.85848925 0.72558874 0.81050272
0.63696474 0.67825725 0.56404572
0.68101942 0.97814692 0.91960241
0.58791553 0.99576064 0.59498069
0.84388560 0.31081837 0.70030012
0.45289835 0.42955673 0.81305214
0.53178939 0.69185591 0.99700480
0.49105806 0.26548575 0.18706423
0.69121880 0.53375123 0.22290831
0.35784883 0.76234339 0.53922462
0.26518616 0.56283007 0.18892782
0.19937075 0.36755002 0.92180588
0.29877218 0.30757097 0.39384100
0.29226413 0.10274571 0.13046245
0.22489287 0.79440047 0.77559872
0.00837214 0.99096300 0.08745677
0.98118496 0.90307621 0.67055530
0.75135380 0.42121589 0.96222169
0.00538430 0.59569932 0.19832137
0.77369895 0.68831252 0.66291564
0.62259749 0.01209895 0.76168311
0.49833862 0.57778288 0.87561402
0.60486049 0.38821261 0.22121035
0.24864531 0.48346380 0.03710984
0.28932317 0.18749124 0.27520906
0.80248237 0.22757680 0.29478901
0.95336458 0.23890166 0.31289085
0.87368438 0.18423314 0.43278582
0.79924111 0.98976420 0.57409806
0.62346296 0.17839711 0.70553106
0.78761432 0.12899137 0.63873240
0.38848722 0.31233459 0.95881290
0.46952665 0.13400806 0.82887607
0.52497158 0.15605897 0.97836814
0.39635985 0.15111681 0.45532717
0.36183942 0.05356861 0.57348744
0.48907490 0.14040025 0.58580946
0.86127558 0.42993262 0.85141795
0.06823224 0.55531293 0.72298428
0.03377842 0.46898496 0.84556684
0.98618352 0.20949866 0.68318891
0.07624710 0.18699751 0.81341082
0.04794221 0.33104563 0.75946416
0.33565134 0.47884762 0.56742888
0.47833926 0.50310410 0.52128146
0.36537648 0.58181726 0.45117461
0.35190670 0.89106224 0.36670079
0.32105405 0.79411375 0.24383977
0.42394398 0.75538494 0.35743909
0.28387418 0.84547671 0.08134751
0.13769344 0.79636321 0.06941597
0.19208265 0.90007336 0.96650545
0.26573151 0.90897225 0.55601097
0.15060895 0.00561339 0.54951848
0.12776923 0.85302628 0.58029516
No title
1
14.463841 -0.251734 -0.379940
-0.246462 13.948894 0.059376
-0.378489 0.061544 13.711077
C H O N F
110 60 25 10 30
Direct configuration= 9
0.07744038 0.04742242 0.95210851
0.92999439 0.02345942 0.76072719
0.95244870 0.94757713 0.82814929
0.02385858 0.96322189 0.92190243
0.06680269 0.06670717 0.05177234
0.97450818 0.93206783 0.01177965
0.95879717 0.00195795 0.66575825
0.99377209 0.87166536 0.76462250
0.96525283 0.99133844 0.17589202
0.94598851 0.07798142 0.21736673
0.88786778 0.08199087 0.29450604
0.93391869 0.90461223 0.21538255
0.87289146 0.90715845 0.28900353
0.84600711 0.99443033 0.32497782
0.71325989 0.05038789 0.39748483
0.71021476 0.10169407 0.48581822
0.64821670 0.17706265 0.49602688
0.65155102 0.06993897 0.32064020
0.58804406 0.14182849 0.33204152
0.58813458 0.19651610 0.41753913
0.87877256 0.18163890 0.33423519
0.76567724 0.07449154 0.56537025
0.84616956 0.47094006 0.09098242
0.85550606 0.57410165 0.13015374
0.92155640 0.59685810 0.04769336
0.89747878 0.49874658 0.00397387
0.77122266 0.40357446 0.06447751
0.81828448 0.49632079 0.92453456
0.91427513 0.58310829 0.22426763
0.01543108 0.59207478 0.09769635
0.67934492 0.39268749 0.90311036
0.59606575 0.34350702 0.94149460
0.54580119 0.28085022 0.86467708
0.67362524 0.42074183 0.80179832
0.60774199 0.38285496 0.73697356
0.53725872 0.31714013 0.76466175
0.38443738 0.26820006 0.68644868
0.34786545 0.21592378 0.60574509
0.25335548 0.21750562 0.58064464
0.32399916 0.30629294 0.74941398
0.23036284 0.30727377 0.72310293
0.19462044 0.26823463 0.63583711
0.51457852 0.19323569 0.88962909
0.40012583 0.14248752 0.55538252
0.75477342 0.84011771 0.73198920
0.66657527 0.85336711 0.79385819
0.61024703 0.85668358 0.69567536
0.69188675 0.82751843 0.63918751
0.80390634 0.74773059 0.74452848
0.69383257 0.72419474 0.61463126
0.65866192 0.95355069 0.83580551
0.60143884 0.96201566 0.67699603
0.80608194 0.59693142 0.64662205
0.89412335 0.57758887 0.68303775
0.92098845 0.48192701 0.70276890
0.75465505 0.52405053 0.59666489
0.78357068 0.43090873 0.60811425
0.85392453 0.40539509 0.67590965
0.84372254 0.26660128 0.79214466
0.92728098 0.24100661 0.83682884
0.92913840 0.19942182 0.92963167
0.76141606 0.23298461 0.83015822
0.76337682 0.18104553 0.91771694
0.84703665 0.16923218 0.97066172
0.00698806 0.49353268 0.75761820
0.00857483 0.24195437 0.77462290
0.55377953 0.44102067 0.95486127
0.48037446 0.42803161 0.12043528
0.54832564 0.51127424 0.12313062
0.58375436 0.52583472 0.01797812
0.49793772 0.47678131 0.87669282
0.53613607 0.61120577 0.96523535
0.51485210 0.35011177 0.17277397
0.62126717 0.47687995 0.19513807
0.46648327 0.62812753 0.79123400
0.45342351 0.57862998 0.70299308
0.41438859 0.61970169 0.61946208
0.44705337 0.72542434 0.79157927
0.41183533 0.76850943 0.70590245
0.39214248 0.71602968 0.62087770
0.27534910 0.72988228 0.49496184
0.26311313 0.74853938 0.39516111
0.17752098 0.72664488 0.34767844
0.20439867 0.68666938 0.54638372
0.12067927 0.66136161 0.49758763
0.10662291 0.68236254 0.39854455
0.39785585 0.54800614 0.53800878
0.34010709 0.79658530 0.34135282
0.21248164 0.39735570 0.18200882
0.30075652 0.34559291 0.22103384
0.29281262 0.27878849 0.13241081
0.20173033 0.32870271 0.09499828
0.24327641 0.49251808 0.14006231
0.21477654 0.39087964 0.00666846
0.29496114 0.28167629 0.30986163
0.28920354 0.17786625 0.17382087
0.25773016 0.56385688 0.97309926
0.25069390 0.65499664 0.01119584
0.23790390 0.73721948 0.95386513
0.26198083 0.55603719 0.87170870
0.25373547 0.63816697 0.81505412
0.23982505 0.72911930 0.85148660
0.25088407 0.88949403 0.77654065
0.20994561 0.95255805 0.70613060
0.21082621 0.04971935 0.73076976
0.31362146 0.92657106 0.84746641
0.31735227 0.02387840 0.86743781
0.25985093 0.08460667 0.81349146
0.21461532 0.81985226 0.01617446
0.18741416 0.93054097 0.60022893
0.13137669 0.08356660 0.91226844
0.89595716 0.08896662 0.77958246
0.89402075 0.91405992 0.86647460
0.07040460 0.90625104 0.90378787
0.97725913 0.14362130 0.18857047
0.95309412 0.83719862 0.18396843
0.84111122 0.84171184 0.31766712
0.64193647 0.20498954 0.56925948
0.65262199 0.02931652 0.25321972
0.53780405 0.15780072 0.27300610
0.53515798 0.24902523 0.42514836
0.01566305 0.87332279 0.61617959
0.74121464 0.50560784 0.26485526
0.79197077 0.61439810 0.13129744
0.91140940 0.65966958 0.00011618
0.95401795 0.45496493 0.98165854
0.61165564 0.30312876 0.00858176
0.72551958 0.47072525 0.77690602
0.60762833 0.40435492 0.65998914
0.22630764 0.17358086 0.52025898
0.34766231 0.33594046 0.81907354
0.18666626 0.33644150 0.77600134
0.12107352 0.27003043 0.61510452
0.06132668 0.59356009 0.24722677
0.80503309 0.90072627 0.73583409
0.65342517 0.79732830 0.84804008
0.54495827 0.81676726 0.68233579
0.70249399 0.86959103 0.57260069
0.93746239 0.63599068 0.71348075
0.68946680 0.53928529 0.55727416
0.74129066 0.37127149 0.57730357
0.99568177 0.18669642 0.96623037
0.69638118 0.23720851 0.78635060
0.70000879 0.14732808 0.94373033
0.84792436 0.13166390 0.04079199
0.62361542 0.09184320 0.75047256
0.43704540 0.35409863 0.98801491
0.40901264 0.43518672 0.09334270
0.52315320 0.58012536 0.14771619
0.65815778 0.54602768 0.01667380
0.46944868 0.50425189 0.69762971
0.45985734 0.76608647 0.85836963
0.39826019 0.84474513 0.70522975
0.16732704 0.74662082 0.27107824
0.21033088 0.68288943 0.62555090
0.06407537 0.63050326 0.53818050
0.03814708 0.66796130 0.36414480
0.65252959 0.34388979 0.25302442
0.15592374 0.40561957 0.23033189
0.36194418 0.39336264 0.23138452
0.34811076 0.28130270 0.08203798
0.14026120 0.28112114 0.08594219
0.24839900 0.66110247 0.08982649
0.27112142 0.48875435 0.83484419
0.25757048 0.63344238 0.73664297
0.17264798 0.09766982 0.68265703
0.35134873 0.87665225 0.89517806
0.36022767 0.04986205 0.92967301
0.25526917 0.15946403 0.83258606
0.29516508 0.12958585 0.32094357
0.09749899 0.13434356 0.10372437
0.91314926 0.86980696 0.01652319
0.96288039 0.04836441 0.58896740
0.03392594 0.79940997 0.79239010
0.78039214 0.98435561 0.39408443
0.73090362 0.33962955 0.11082919
0.78380226 0.57079618 0.88966961
0.88688503 0.57585211 0.30769782
0.08750917 0.57797701 0.05942861
0.47955825 0.28813156 0.69143735
0.85877177 0.72575732 0.81003755
0.63696822 0.67823573 0.56320155
0.68104519 0.97827983 0.91973888
0.58757178 0.99564524 0.59473838
0.84449056 0.31055003 0.69997162
0.45296203 0.42968046 0.81297503
0.53218700 0.69231692 0.99711468
0.49081313 0.26566322 0.18711548
0.69115290 0.53405757 0.22326222
0.35786496 0.76231057 0.53898773
0.26550510 0.56274485 0.18912168
0.19902007 0.36769388 0.92200187
0.29820428 0.30728264 0.39304898
0.29238623 0.10270511 0.13066317
0.22496144 0.79417772 0.77510094
0.00851359 0.99074257 0.08759343
0.98096937 0.90283555 0.67041762
0.75164372 0.42094072 0.96224835
0.00534340 0.59573917 0.19862309
0.77346808 0.68833520 0.66265684
0.62261410 0.01202645 0.76165466
0.49843950 0.57804865 0.87560899
0.60473520 0.38837735 0.22155549
0.24854500 0.48345617 0.03742967
0.28908841 0.18741668 0.27552721
0.80238736 0.22746374 0.29489485
0.95330327 0.23917307 0.31297259
0.87393718 0.18422093 0.43301175
0.79869674 0.98990275 0.57437660
0.62336621 0.17843614 0.70571150
0.78733672 0.12908824 0.63931901
0.38893221 0.31273015 0.95938544
0.46971607 0.13353830 0.82861027
0.52480199 0.15577396 0.97837408
0.39620142 0.15101262 0.45502362
0.36202481 0.05319573 0.57351685
0.48907710 0.14080154 0.58576385
0.86122702 0.43017935 0.85109948
0.06864316 0.55520236 0.72290955
0.03348749 0.46916002 0.84552069
0.98619755 0.20896258 0.68302005
0.07678582 0.18733150 0.81341196
0.04777530 0.33128683 0.75901668
0.33553926 0.47841887 0.56695193
0.47834697 0.50271425 0.52136117
0.36574319 0.58173782 0.45079018
0.35225031 0.89127783 0.36667715
0.32117954 0.79412677 0.24377773
0.42394078 0.75539279 0.35767828
0.28416038 0.84545307 0.08112438
0.13786852 0.79617933 0.06986994
0.19201017 0.90029286 0.96674515
0.26565578 0.90919309 0.55615362
0.15035450 0.00552015 0.54974280
0.12779147 0.85271506 0.58039993
No title
1
14.463940 -0.253044 -0.381297
-0.247770 13.946724 0.059410
-0.379825 0.061587 13.709480
C H O N F
110 60 25 10 30
Direct configuration= 10
0.07755318 0.04741133 0.95197883
0.92979435 0.02389180 0.76084020
0.95247185 0.94740659 0.82816671
0.02388061 0.96317014 0.92193468
0.06685280 0.06680461 0.05198211
0.97450339 0.93198281 0.01180215
0.95885735 0.00176771 0.66573773
0.99376366 0.87160501 0.76462992
0.96529378 0.99130443 0.17581003
0.94601686 0.07812548 0.21735097
0.88781350 0.08194950 0.29456071
0.93390173 0.90447145 0.21538845
0.87283062 0.90714269 0.28904934
0.84599856 0.99446411 0.32496421
0.71330518 0.05037423 0.39750388
0.71013874 0.10185816 0.48590763
0.64827793 0.17697440 0.49577644
0.65145772 0.06997508 0.32051599
0.58809327 0.14178957 0.33203732
0.58818545 0.19655008 0.41757212
0.87876847 0.18162746 0.33423250
0.76557971 0.07470684 0.56543921
0.84617896 0.47097736 0.09101165
0.85552050 0.57410949 0.13018217
0.92154851 0.59689186 0.04769440
0.89752297 0.49877524 0.00397130
0.77121143 0.40351533 0.06453920
0.81828339 0.49634595 0.92451386
0.91421460 0.58308426 0.22448740
0.01529904 0.59214493 0.09778945
0.67948490 0.39279201 0.90298983
0.59596565 0.34349368 0.94150739
0.54577895 0.28085778 0.86463528
0.67352650 0.42058009 0.80211120
0.60778387 0.38301593 0.73656884
0.53714159 0.31695286 0.76482832
0.38444904 0.26817777 0.68642937
0.34782078 0.21580417 0.60560470
0.25338049 0.21756540 0.58066350
0.32399860 0.30635311 0.74949786
0.23037804 0.30733226 0.72308507
0.19457302 0.26821789 0.63570137
0.51457220 0.19322019 0.88957271
0.40004847 0.14251122 0.55539835
0.75476807 0.84009913 0.73201051
0.66657831 0.85339242 0.79380822
0.61017292 0.85662982 0.69564226
0.69185075 0.82753775 0.63911515
0.80397377 0.74771367 0.74457230
0.69374803 0.72412035 0.61450626
0.65871034 0.95358264 0.83599050
0.60141013 0.96199925 0.67692516
0.80609965 0.59703329 0.64661404
0.89415047 0.57752662 0.68299612
0.92096057 0.48197325 0.70268861
0.75459430 0.52399723 0.59657644
0.78347136 0.43082501 0.60802093
0.85399753 0.40541077 0.67589597
0.84376861 0.26655853 0.79216879
0.92748837 0.24101064 0.83668846
0.92919382 0.19939288 0.92970907
0.76144758 0.23301852 0.83007865
0.76351410 0.18109962 0.91773445
0.84703653 0.16922499 0.97073581
0.00699392 0.49361299 0.75748091
0.00851047 0.24193463 0.77462588
0.55379951 0.44102144 0.95495201
0.48010433 0.42816071 0.12035003
0.54831698 0.51129701 0.12322700
0.58371902 0.52587593 0.01797691
0.49796843 0.47692144 0.87675048
0.53617090 0.61131065 0.96527101
0.51489690 0.35021116 0.17283603
0.62126021 0.47692971 0.19522409
0.46648607 0.62821999 0.79117885
0.45350508 0.57863974 0.70306671
0.41440850 0.61964064 0.61937332
0.44704209 0.72541503 0.79154270
0.41184448 0.76852438 0.70597554
0.39211258 0.71602003 0.62077250
0.27529894 0.72985051 0.49498298
0.26312593 0.74860673 0.39505744
0.17747620 0.72665321 0.34766720
0.20442154 0.68664255 0.54638637
0.12069938 0.66139117 0.49753731
0.10657681 0.68239127 0.39855051
0.39782968 0.54799805 0.53800873
0.34009423 0.79656568 0.34142917
0.21264589 0.39731012 0.18190355
0.30067368 0.34555468 0.22104036
0.29279823 0.27881088 0.13247673
0.20166961 0.32866718 0.09509900
0.24324180 0.49242384 0.14012965
0.21474569 0.39090749 0.00666423
0.29488316 0.28132122 0.30871956
0.28916909 0.17815915 0.17411847
0.25771028 0.56378174 0.97311835
0.25066738 0.65508231 0.01125791
0.23789035 0.73723007 0.95382949
0.26197857 0.55597006 0.87165138
0.25374829 0.63804668 0.81505695
0.23980315 0.72911626 0.85135520
0.25083388 0.88946300 0.77650102
0.20993576 0.95273049 0.70617533
0.21089182 0.04950377 0.73081561
0.31369666 0.92650946 0.84760816
0.31734017 0.02393788 0.86748410
0.25989213 0.08463247 0.81355248
0.21450909 0.81982682 0.01617576
0.18740297 0.93049765 0.60031258
0.13129941 0.08351532 0.91231007
0.89604967 0.08869369 0.77948180
0.89400695 0.91408126 0.86647955
0.07035562 0.90615322 0.90374989
0.97723662 0.14357397 0.18860711
0.95306853 0.83723024 0.18404124
0.84109749 0.84166373 0.31771575
0.64195754 0.20512921 0.56932077
0.65261377 0.02934595 0.25318706
0.53774803 0.15777199 0.27292025
0.53517382 0.24907882 0.42507260
0.01558442 0.87330553 0.61616686
0.74119058 0.50565459 0.26488329
0.79196357 0.61439065 0.13133507
0.91139567 0.65971877 0.00011928
0.95401071 0.45500964 0.98171748
0.61162379 0.30316946 0.00865709
0.72560355 0.47084299 0.77684647
0.60755917 0.40431771 0.66013727
0.22624724 0.17359506 0.52009964
0.34768343 0.33594167 0.81901339
0.18672351 0.33652488 0.77591684
0.12110616 0.27003814 0.61503805
0.06130767 0.59351536 0.24726889
0.80498842 0.90074804 0.73583183
0.65343822 0.79726896 0.84807182
0.54496178 0.81673555 0.68233762
0.70250965 0.86954614 0.57260893
0.93752200 0.63607882 0.71344359
0.68949874 0.53929934 0.55723286
0.74126345 0.37129641 0.57727929
0.99575928 0.18670339 0.96629003
0.69650332 0.23721110 0.78632218
0.70005578 0.14739862 0.94372294
0.84796106 0.13171221 0.04080989
0.62362328 0.09186355 0.75043877
0.43721540 0.35429350 0.98819086
0.40912707 0.43516571 0.09337208
0.52312430 0.58018672 0.14776364
0.65816421 0.54602320 0.01673392
0.46953364 0.50426811 0.69767117
0.45985104 0.76614767 0.85841066
0.39821814 0.84474731 0.70518057
0.16730205 0.74657354 0.27101428
0.21040455 0.68279169 0.62552786
0.06405484 0.63046151 0.53819756
0.03810751 0.66798238 0.36413270
0.65252573 0.34389544 0.25309248
0.15585917 0.40560028 0.23047085
0.36196120 0.39339118 0.23145471
0.34804999 0.28128462 0.08203462
0.14026711 0.28109313 0.08590258
0.24840840 0.66118654 0.08978609
0.27109105 0.48871497 0.83494400
0.25761229 0.63332542 0.73659626
0.17264445 0.09774583 0.68259493
0.35134988 0.87671331 0.89519505
0.36024148 0.04988920 0.92974319
0.25531566 0.15951874 0.83262731
0.29511878 0.12954597 0.32097641
0.09745580 0.13424377 0.10364509
0.91315295 0.86975442 0.01653564
0.96288284 0.04842660 0.58884425
0.03392580 0.79942632 0.79238064
0.78035791 0.98437835 0.39409661
0.73089576 0.33968764 0.11085055
0.78379594 0.57076245 0.88970220
0.88694131 0.57581168 0.30758299
0.08759572 0.57800108 0.05943511
0.47957223 0.28810201 0.69142215
0.85875137 0.72581056 0.80987655
0.63702350 0.67827414 0.56309099
0.68100797 0.97825626 0.91959939
0.58751555 0.99560121 0.59476268
0.84460813 0.31054336 0.69986035
0.45290496 0.42963095 0.81287533
0.53226694 0.69232927 0.99710549
0.49071277 0.26554053 0.18714889
0.69116822 0.53408187 0.22335782
0.35792423 0.76228043 0.53901506
0.26560061 0.56283679 0.18920422
0.19895246 0.36771366 0.92202418
0.29814442 0.30760287 0.39416808
0.29242331 0.10240222 0.13053250
0.22501092 0.79414276 0.77508144
0.00850994 0.99071143 0.08769071
0.98095482 0.90278171 0.67029527
0.75156841 0.42083736 0.96218333
0.00539046 0.59574111 0.19869074
0.77346131 0.68829709 0.66262525
0.62260342 0.01203276 0.76159288
0.49849289 0.57803023 0.87568616
0.60466058 0.38847069 0.22158362
0.24853818 0.48349939 0.03741836
0.28904240 0.18734962 0.27552451
0.80239087 0.22744187 0.29493564
0.95329566 0.23923407 0.31298966
0.87398406 0.18422471 0.43304706
0.79867358 0.98977049 0.57446384
0.62334493 0.17843768 0.70574196
0.78724867 0.12901778 0.63931392
0.38880827 0.31263240 0.95935811
0.46975811 0.13345526 0.82857598
0.52477038 0.15569242 0.97842203
0.39617959 0.15098162 0.45500024
0.36209690 0.05318862 0.57350277
0.48909108 0.14085833 0.58573703
0.86120812 0.43023649 0.85104535
0.06867559 0.55514048 0.72292107
0.03346703 0.46916090 0.84561520
0.98624787 0.20889124 0.68306254
0.07690278 0.18739793 0.81340373
0.04775443 0.33129955 0.75892316
0.33555800 0.47837684 0.56684161
0.47838168 0.50261525 0.52135276
0.36582963 0.58169712 0.45073605
0.35231362 0.89131850 0.36665858
0.32120606 0.79413953 0.24372518
0.42392285 0.75540983 0.35770230
0.28427976 0.84547306 0.08111899
0.13801483 0.79617884 0.06987543
0.19201362 0.90032728 0.96679308
0.26563964 0.90922562 0.55615576
0.15029730 0.00551586 0.54975784
0.12779643 0.85266989 0.58040620
No title
1
14.464267 -0.255651 -0.383434
-0.250390 13.942627 0.058637
-0.381997 0.060860 13.705174
C H O N F
110 60 25 10 30
Direct configuration= 11
0.07762370 0.04732863 0.95197437
0.92974043 0.02402000 0.76088186
0.95245353 0.94731024 0.82811995
0.02392847 0.96307490 0.92198326
0.06686360 0.06671879 0.05202370
0.97455306 0.93189466 0.01185198
0.95888768 0.00166431 0.66564631
0.99370924 0.87156877 0.76457916
0.96529002 0.99127616 0.17580795
0.94601231 0.07817394 0.21736022
0.88778387 0.08194148 0.29458568
0.93383866 0.90437870 0.21544758
0.87276097 0.90709926 0.28908259
0.84595338 0.99447290 0.32496335
0.71330036 0.05040983 0.39750549
0.71008991 0.10197618 0.48593302
0.64832860 0.17702165 0.49564175
0.65141312 0.06999472 0.32042049
0.58808460 0.14178257 0.33197371
0.58822058 0.19660774 0.41750433
0.87876445 0.18161726 0.33425768
0.76546612 0.07482217 0.56552777
0.84618326 0.47101791 0.09104065
0.85552895 0.57413352 0.13024759
0.92152481 0.59696736 0.04771732
0.89755722 0.49882050 0.00397862
0.77123601 0.40349914 0.06457816
0.81830165 0.49634823 0.92450079
0.91423175 0.58307319 0.22451869
0.01533111 0.59222491 0.09786863
0.67952632 0.39279510 0.90294309
0.59587478 0.34352540 0.94152200
0.54573540 0.28083688 0.86465096
0.67346046 0.42051643 0.80220989
0.60776701 0.38307114 0.73642218
0.53709054 0.31685370 0.76488567
0.38441530 0.26811309 0.68637321
0.34778436 0.21570418 0.60549700
0.25334862 0.21757568 0.58055307
0.32400120 0.30639472 0.74950861
0.23040375 0.30740788 0.72298507
0.19455660 0.26824513 0.63557090
0.51455176 0.19314135 0.88953301
0.39997474 0.14251826 0.55537468
0.75474110 0.84006202 0.73202526
0.66657632 0.85338817 0.79377208
0.61010137 0.85657119 0.69558973
0.69178546 0.82750711 0.63904299
0.80382218 0.74780521 0.74434757
0.69377154 0.72414793 0.61444566
0.65867590 0.95354055 0.83588005
0.60138023 0.96191511 0.67696228
0.80611242 0.59709331 0.64655210
0.89418637 0.57754677 0.68291342
0.92094544 0.48201370 0.70255881
0.75456099 0.52393639 0.59647805
0.78338279 0.43075743 0.60792824
0.85405113 0.40543090 0.67580011
0.84390587 0.26651185 0.79214861
0.92772121 0.24096322 0.83662143
0.92930193 0.19937871 0.92975251
0.76157534 0.23305021 0.83000933
0.76366590 0.18119429 0.91772870
0.84711660 0.16924610 0.97083296
0.00701333 0.49367575 0.75737834
0.00852050 0.24190308 0.77458640
0.55377594 0.44103423 0.95505445
0.47992529 0.42828874 0.12037185
0.54825508 0.51137573 0.12336006
0.58369369 0.52594684 0.01802945
0.49795691 0.47700282 0.87675763
0.53624883 0.61136917 0.96530842
0.51484259 0.35027066 0.17291861
0.62122561 0.47706452 0.19534965
0.46652931 0.62829772 0.79115391
0.45361992 0.57867111 0.70309700
0.41446038 0.61957439 0.61929016
0.44703044 0.72547315 0.79155970
0.41182529 0.76852626 0.70599156
0.39211534 0.71596918 0.62069840
0.27526109 0.72983442 0.49495187
0.26310331 0.74868059 0.39497553
0.17741463 0.72668682 0.34761365
0.20445682 0.68658866 0.54638545
0.12068660 0.66141141 0.49750153
0.10649925 0.68245043 0.39854183
0.39782076 0.54793184 0.53797208
0.34009862 0.79657023 0.34147826
0.21273068 0.39725112 0.18189528
0.30063238 0.34554927 0.22100381
0.29276939 0.27883017 0.13252798
0.20159931 0.32862338 0.09519082
0.24324482 0.49237659 0.14020913
0.21471564 0.39097703 0.00683492
0.29481727 0.28142230 0.30927929
0.28913809 0.17790774 0.17406640
0.25767466 0.56375043 0.97314264
0.25063146 0.65514486 0.01126884
0.23785527 0.73725439 0.95373372
0.26196772 0.55585944 0.87165639
0.25376365 0.63789811 0.81499768
0.23977679 0.72905990 0.85119859
0.25084210 0.88946126 0.77654240
0.20992492 0.95279168 0.70622521
0.21093632 0.04944263 0.73086493
0.31371009 0.92647006 0.84771667
0.31735090 0.02399089 0.86760038
0.25995081 0.08466172 0.81364554
0.21442228 0.81980901 0.01618215
0.18737070 0.93046542 0.60040983
0.13124719 0.08347760 0.91231499
0.89605370 0.08852333 0.77938935
0.89397478 0.91409916 0.86649423
0.07027025 0.90597374 0.90368832
0.97722951 0.14357843 0.18864556
0.95304041 0.83720376 0.18414291
0.84106593 0.84157777 0.31781096
0.64201011 0.20532246 0.56927648
0.65259158 0.02938297 0.25309108
0.53768093 0.15771116 0.27280758
0.53521513 0.24916745 0.42494202
0.01548117 0.87324461 0.61607641
0.74117425 0.50571868 0.26496094
0.79195469 0.61437548 0.13140180
0.91137037 0.65980886 0.00012562
0.95401855 0.45507920 0.98181615
0.61156118 0.30324109 0.00877930
0.72562206 0.47092027 0.77682641
0.60744315 0.40433083 0.66014474
0.22616403 0.17366907 0.51987087
0.34774424 0.33597464 0.81897519
0.18680475 0.33668907 0.77578097
0.12112648 0.27005021 0.61489687
0.06131559 0.59343096 0.24736593
0.80491144 0.90079192 0.73582698
0.65346730 0.79718801 0.84809773
0.54493298 0.81665449 0.68233368
0.70254252 0.86949160 0.57258823
0.93760750 0.63619335 0.71335575
0.68951678 0.53932815 0.55713067
0.74117425 0.37127849 0.57720509
0.99590145 0.18671311 0.96640515
0.69668088 0.23722127 0.78624056
0.70016413 0.14754057 0.94370309
0.84802356 0.13178246 0.04087770
0.62363476 0.09188318 0.75037659
0.43735120 0.35450114 0.98840663
0.40914110 0.43515454 0.09335437
0.52308110 0.58029505 0.14785004
0.65816717 0.54601525 0.01684481
0.46969439 0.50429437 0.69775479
0.45983323 0.76623495 0.85845145
0.39814352 0.84475764 0.70509922
0.16725321 0.74648407 0.27090606
0.21053856 0.68260989 0.62549929
0.06404814 0.63040237 0.53820536
0.03803278 0.66802158 0.36411086
0.65246907 0.34394255 0.25318932
0.15585884 0.40554919 0.23063273
0.36195680 0.39340911 0.23158993
0.34793703 0.28124645 0.08202670
0.14025392 0.28103012 0.08584112
0.24842255 0.66134651 0.08976487
0.27104307 0.48859587 0.83509313
0.25768914 0.63310881 0.73652920
0.17270547 0.09779763 0.68255869
0.35139481 0.87676824 0.89528466
0.36026572 0.04994415 0.92987285
0.25539723 0.15961165 0.83269379
0.29503508 0.12948673 0.32105615
0.09747679 0.13428969 0.10369236
0.91312889 0.86962199 0.01656287
0.96289239 0.04841786 0.58876811
0.03395671 0.79939625 0.79238226
0.78031695 0.98441803 0.39411785
0.73083341 0.33971441 0.11095377
0.78376893 0.57075271 0.88974638
0.88694138 0.57571007 0.30770408
0.08752587 0.57808931 0.05955731
0.47955398 0.28801737 0.69141636
0.85895808 0.72580442 0.80987496
0.63697457 0.67821523 0.56275027
0.68103715 0.97831964 0.91970834
0.58738746 0.99557846 0.59465832
0.84482455 0.31050675 0.69969997
0.45290890 0.42964165 0.81282826
0.53240799 0.69247594 0.99713362
0.49059845 0.26551891 0.18718426
0.69117020 0.53415122 0.22350934
0.35797131 0.76224520 0.53899922
0.26574526 0.56292024 0.18932442
0.19879827 0.36770469 0.92191240
0.29794766 0.30749355 0.39387473
0.29246053 0.10250965 0.13069007
0.22507567 0.79408450 0.77498997
0.00853932 0.99065094 0.08777871
0.98088076 0.90272535 0.67021556
0.75157664 0.42072359 0.96214089
0.00539390 0.59574575 0.19879346
0.77343526 0.68825448 0.66256223
0.62260078 0.01203921 0.76152348
0.49855158 0.57808598 0.87574676
0.60455547 0.38852755 0.22167665
0.24851172 0.48353814 0.03744680
0.28896085 0.18725910 0.27550560
0.80238842 0.22740656 0.29500242
0.95327641 0.23933468 0.31301723
0.87407001 0.18423066 0.43310911
0.79854573 0.98972297 0.57458521
0.62331048 0.17845701 0.70579140
0.78712062 0.12897912 0.63941985
0.38876568 0.31260974 0.95942532
0.46983809 0.13330681 0.82851080
0.52471123 0.15557368 0.97845279
0.39613864 0.15092026 0.45495280
0.36221304 0.05314739 0.57348675
0.48908741 0.14097349 0.58568596
0.86117651 0.43033711 0.85094884
0.06877040 0.55506512 0.72291719
0.03339598 0.46919752 0.84567304
0.98632483 0.20874778 0.68311280
0.07709676 0.18752783 0.81339353
0.04771062 0.33132909 0.75875443
0.33557879 0.47829468 0.56665086
0.47842827 0.50245037 0.52134810
0.36598076 0.58163604 0.45062957
0.35242392 0.89138609 0.36663245
0.32125656 0.79415938 0.24366973
0.42389302 0.75543208 0.35775719
0.28446019 0.84549538 0.08107380
0.13823226 0.79616568 0.06991770
0.19200921 0.90039875 0.96687480
0.26560181 0.90928239 0.55617742
0.15020055 0.00548741 0.54979598
0.12780875 0.85258645 0.58043409
No title
1
14.465476 -0.262242 -0.388878
-0.256960 13.934337 0.057563
-0.387467 0.059887 13.696342
C H O N F
110 60 25 10 30
Direct configuration= 12
0.07768410 0.04708031 0.95212416
0.92992109 0.02368777 0.76076238
0.95235529 0.94727279 0.82798786
0.02402602 0.96281609 0.92206597
0.06693317 0.06654773 0.05205622
0.97461981 0.93163383 0.01196718
0.95885735 0.00163990 0.66549502
0.99359993 0.87143927 0.76446966
0.96520062 0.99122348 0.17596236
0.94596036 0.07810500 0.21740749
0.88776811 0.08196803 0.29458179
0.93369071 0.90433541 0.21559501
0.87260250 0.90697195 0.28915471
0.84582029 0.99444427 0.32498453
0.71320714 0.05053807 0.39744819
0.71007570 0.10208084 0.48588824
0.64837544 0.17734451 0.49560920
0.65141481 0.07001127 0.32032308
0.58797951 0.14180317 0.33174353
0.58824731 0.19675596 0.41724364
0.87877716 0.18163135 0.33434405
0.76524269 0.07480912 0.56566366
0.84618945 0.47107458 0.09107992
0.85552997 0.57421426 0.13037710
0.92149634 0.59717160 0.04780036
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No title
1
14.466637 -0.264372 -0.390741
-0.259101 13.932079 0.056826
-0.389354 0.059188 13.693697
C H O N F
110 60 25 10 30
Direct configuration= 13
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0.13870363 0.79605962 0.07021368
0.19195910 0.90064237 0.96712518
0.26547166 0.90945073 0.55627084
0.14989726 0.00536571 0.54994437
0.12782172 0.85229656 0.58056460
No title
1
14.471407 -0.273060 -0.397737
-0.267778 13.923907 0.055057
-0.396401 0.057562 13.685134
C H O N F
110 60 25 10 30
Direct configuration= 14
0.07789541 0.04670263 0.95224883
0.92993817 0.02372963 0.76054414
0.95227507 0.94694273 0.82798344
0.02409095 0.96223453 0.92217757
0.06710424 0.06639514 0.05234857
0.97472348 0.93112445 0.01211241
0.95880791 0.00146169 0.66521417
0.99341404 0.87116600 0.76425634
0.96512808 0.99106147 0.17611866
0.94592629 0.07818722 0.21747799
0.88768324 0.08194541 0.29462498
0.93346118 0.90412446 0.21583704
0.87225461 0.90678382 0.28938763
0.84558202 0.99436225 0.32503894
0.71313871 0.05067972 0.39732641
0.70998186 0.10241625 0.48590699
0.64848342 0.17781142 0.49525169
0.65126325 0.07009223 0.31995021
0.58790238 0.14175796 0.33134603
0.58830976 0.19706416 0.41683326
0.87887506 0.18178007 0.33454838
0.76484362 0.07497782 0.56604749
0.84621376 0.47114825 0.09118632
0.85552446 0.57439186 0.13056348
0.92144938 0.59761108 0.04801970
0.89756979 0.49910685 0.00415111
0.77128886 0.40337421 0.06488311
0.81842003 0.49631267 0.92438706
0.91429199 0.58296325 0.22509182
0.01525029 0.59278650 0.09840045
0.67941861 0.39251241 0.90303327
0.59557737 0.34368722 0.94191950
0.54537261 0.28059055 0.86487105
0.67332858 0.42059432 0.80207821
0.60742612 0.38305807 0.73624561
0.53690476 0.31653112 0.76484992
0.38417525 0.26777258 0.68620004
0.34734123 0.21543165 0.60505662
0.25302875 0.21751802 0.57962825
0.32411542 0.30649224 0.74922207
0.23058941 0.30791915 0.72227725
0.19458404 0.26845315 0.63469931
0.51444672 0.19252250 0.88952655
0.39995040 0.14238279 0.55499580
0.75440358 0.84002065 0.73187744
0.66643913 0.85309146 0.79377052
0.60984217 0.85612362 0.69532675
0.69143018 0.82723834 0.63875474
0.80378867 0.74787848 0.74390210
0.69351490 0.72390201 0.61353909
0.65866709 0.95352290 0.83580671
0.60098205 0.96163539 0.67661523
0.80616735 0.59714189 0.64597786
0.89446040 0.57802576 0.68231407
0.92114050 0.48234868 0.70175209
0.75446519 0.52383033 0.59594484
0.78306440 0.43043154 0.60745416
0.85418282 0.40531946 0.67500218
0.84505654 0.26643649 0.79163339
0.92856067 0.24064185 0.83668069
0.93026153 0.19927117 0.93009609
0.76268882 0.23327488 0.82961211
0.76456027 0.18174498 0.91772299
0.84794171 0.16962267 0.97112963
0.00706506 0.49376973 0.75710577
0.00933261 0.24175678 0.77439857
0.55336362 0.44126433 0.95548786
0.47945625 0.42873757 0.12092960
0.54790358 0.51210077 0.12402273
0.58364750 0.52630700 0.01871440
0.49795327 0.47723668 0.87690702
0.53677768 0.61200642 0.96561947
0.51420937 0.35058283 0.17338206
0.62080483 0.47767484 0.19624563
0.46691124 0.62876687 0.79126361
0.45433350 0.57884404 0.70302888
0.41487382 0.61922632 0.61899919
0.44695865 0.72589283 0.79173468
0.41160601 0.76857308 0.70582018
0.39224883 0.71569903 0.62048706
0.27523937 0.72981311 0.49469468
0.26281778 0.74900958 0.39467740
0.17699669 0.72692370 0.34720178
0.20461827 0.68615820 0.54619052
0.12051941 0.66141798 0.49744633
0.10606505 0.68287423 0.39837532
0.39830212 0.54727244 0.53738545
0.34021550 0.79686843 0.34133644
0.21262953 0.39720782 0.18253166
0.30060468 0.34540724 0.22161262
0.29241504 0.27855586 0.13272079
0.20133684 0.32844141 0.09533549
0.24344750 0.49247163 0.14076724
0.21426079 0.39097579 0.00717644
0.29419209 0.28118713 0.30961805
0.28894262 0.17769271 0.17442512
0.25745531 0.56382111 0.97342159
0.25042792 0.65543931 0.01113050
0.23756008 0.73727780 0.95310162
0.26185467 0.55534207 0.87184596
0.25382827 0.63715564 0.81455805
0.23970140 0.72853166 0.85050853
0.25091463 0.88935907 0.77678626
0.20989316 0.95281676 0.70667137
0.21115080 0.04972717 0.73122308
0.31380927 0.92655360 0.84841308
0.31746423 0.02420020 0.86840407
0.26022586 0.08501643 0.81419781
0.21497046 0.82005611 0.01596409
0.18711856 0.93032397 0.60061173
0.13109747 0.08334223 0.91222109
0.89572784 0.08807561 0.77898109
0.89376694 0.91413408 0.86655655
0.06972483 0.90474902 0.90330887
0.97726095 0.14376062 0.18885169
0.95287052 0.83677878 0.18478513
0.84083799 0.84108273 0.31842845
0.64239111 0.20657705 0.56876797
0.65243990 0.02957107 0.25239699
0.53728248 0.15728091 0.27210243
0.53551916 0.24977100 0.42405752
0.01481992 0.87277359 0.61539695
0.74124016 0.50608350 0.26566924
0.79188994 0.61431690 0.13188102
0.91120029 0.66041999 0.00021937
0.95422385 0.45545566 0.98239575
0.61111191 0.30374116 0.00942702
0.72546352 0.47114828 0.77686244
0.60665872 0.40452059 0.65982981
0.22561334 0.17416844 0.51836365
0.34815175 0.33621351 0.81880137
0.18721583 0.33786843 0.77490553
0.12114667 0.27019474 0.61385527
0.06140767 0.59284212 0.24812896
0.80442265 0.90109672 0.73579266
0.65364900 0.79680031 0.84813612
0.54458937 0.81598003 0.68221400
0.70266820 0.86927647 0.57226172
0.93808290 0.63681837 0.71266333
0.68950726 0.53946223 0.55636502
0.74047708 0.37090257 0.57662014
0.99671722 0.18681193 0.96708837
0.69774837 0.23733709 0.78559799
0.70083265 0.14848326 0.94362942
0.84847486 0.13223342 0.04148451
0.62367568 0.09207080 0.74995789
0.43749631 0.35524171 0.98941505
0.40869495 0.43523068 0.09310476
0.52277892 0.58114223 0.14846974
0.65822301 0.54602167 0.01767226
0.47083895 0.50448264 0.69823786
0.45969736 0.76685678 0.85877441
0.39763608 0.84479556 0.70455722
0.16688186 0.74594928 0.27012414
0.21144658 0.68134934 0.62542666
0.06406784 0.63005355 0.53818558
0.03747808 0.66832823 0.36395243
0.65191314 0.34435749 0.25378045
0.15621272 0.40517083 0.23145150
0.36190679 0.39348874 0.23246674
0.34727270 0.28102707 0.08190492
0.14000001 0.28053365 0.08553366
0.24849992 0.66235045 0.08971456
0.27077996 0.48749501 0.83591716
0.25821772 0.63161787 0.73604385
0.17325021 0.09800649 0.68250170
0.35174756 0.87696638 0.89602963
0.36046633 0.05032556 0.93085799
0.25598492 0.16010140 0.83315370
0.29443809 0.12898900 0.32155635
0.09755403 0.13441643 0.10395811
0.91313309 0.86880302 0.01676171
0.96290793 0.04820141 0.58824549
0.03412160 0.79930527 0.79226742
0.78005768 0.98466190 0.39428473
0.73045096 0.33999665 0.11163136
0.78354498 0.57084901 0.89004611
0.88699378 0.57501932 0.30839955
0.08740223 0.57867999 0.06023406
0.47928592 0.28739810 0.69133853
0.85957706 0.72608833 0.80904932
0.63710001 0.67810087 0.56081128
0.68107563 0.97855573 0.91983389
0.58655100 0.99527069 0.59417590
0.84631555 0.31012180 0.69891050
0.45299363 0.42980026 0.81260358
0.53343345 0.69339603 0.99733122
0.48991111 0.26570903 0.18738388
0.69103719 0.53480151 0.22443321
0.35807777 0.76207123 0.53863710
0.26659793 0.56315936 0.19000069
0.19786077 0.36779416 0.92189575
0.29669236 0.30748625 0.39453884
0.29273028 0.10188486 0.13090773
0.22546508 0.79371306 0.77417239
0.00875757 0.99014957 0.08825531
0.98040431 0.90216796 0.66970127
0.75186981 0.42009392 0.96210302
0.00540030 0.59580086 0.19953991
0.77310127 0.68814018 0.66198305
0.62265520 0.01194227 0.76127751
0.49885636 0.57855348 0.87593782
0.60407775 0.38898432 0.22242756
0.24828738 0.48363809 0.03791466
0.28840056 0.18694981 0.27606853
0.80223468 0.22723894 0.29541232
0.95311819 0.23992073 0.31315373
0.87463029 0.18422307 0.43360272
0.79750695 0.98976628 0.57529184
0.62309667 0.17863212 0.70609128
0.78629277 0.12903397 0.64045150
0.38931599 0.31318891 0.96030933
0.47035466 0.13224475 0.82795574
0.52432299 0.15485903 0.97854799
0.39576988 0.15057246 0.45437191
0.36281133 0.05255463 0.57347898
0.48909011 0.14183799 0.58532884
0.86096932 0.43099108 0.85028887
0.06950726 0.55472454 0.72272174
0.03281900 0.46953480 0.84573728
0.98675545 0.20753088 0.68300317
0.07842182 0.18840578 0.81343767
0.04748913 0.33174004 0.75753677
0.33548386 0.47760553 0.56552243
0.47857845 0.50148088 0.52141170
0.36694113 0.58133576 0.44979188
0.35307887 0.89182771 0.36653838
0.32156887 0.79425396 0.24341553
0.42378186 0.75544248 0.35820100
0.28543009 0.84553331 0.08047495
0.13909516 0.79590884 0.07063642
0.19188856 0.90089648 0.96739523
0.26532467 0.90960784 0.55636229
0.14955992 0.00522428 0.55010382
0.12780070 0.85196048 0.58073885
No title
1
14.470061 -0.273050 -0.397922
-0.267797 13.921683 0.054687
-0.396618 0.057195 13.682521
C H O N F
110 60 25 10 30
Direct configuration= 15
0.07787117 0.04665862 0.95225717
0.92995905 0.02362937 0.76062011
0.95227752 0.94701279 0.82786623
0.02411783 0.96227207 0.92219288
0.06708331 0.06633801 0.05233423
0.97471107 0.93109725 0.01215723
0.95880998 0.00141608 0.66516551
0.99342189 0.87114898 0.76425398
0.96511471 0.99107737 0.17614663
0.94591520 0.07813789 0.21749110
0.88768268 0.08197088 0.29463699
0.93343519 0.90410511 0.21587551
0.87228596 0.90677498 0.28935281
0.84558831 0.99439798 0.32503566
0.71310576 0.05071915 0.39733806
0.70998389 0.10241210 0.48590466
0.64849686 0.17781517 0.49526282
0.65130850 0.07007661 0.31998620
0.58787077 0.14179613 0.33133974
0.58832903 0.19704652 0.41680358
0.87883064 0.18172665 0.33453551
0.76479652 0.07502891 0.56601397
0.84620595 0.47117588 0.09119649
0.85553755 0.57438331 0.13060817
0.92144065 0.59757803 0.04800885
0.89761248 0.49911422 0.00413883
0.77129525 0.40339302 0.06488320
0.81840731 0.49634400 0.92439185
0.91429257 0.58295850 0.22513394
0.01524262 0.59280472 0.09846132
0.67938157 0.39249222 0.90303800
0.59552866 0.34375032 0.94181337
0.54537963 0.28058998 0.86490219
0.67330078 0.42058489 0.80204941
0.60739222 0.38299394 0.73639703
0.53695653 0.31659043 0.76483056
0.38413679 0.26773755 0.68614137
0.34743216 0.21536627 0.60502068
0.25301206 0.21750759 0.57959533
0.32405784 0.30649243 0.74921018
0.23059051 0.30791463 0.72224214
0.19457242 0.26848862 0.63473348
0.51442978 0.19249392 0.88949049
0.39985358 0.14239170 0.55501969
0.75443521 0.83999278 0.73190496
0.66645000 0.85312607 0.79371500
0.60979858 0.85613360 0.69530438
0.69140868 0.82725712 0.63870197
0.80380743 0.74787052 0.74390337
0.69349478 0.72386412 0.61348970
0.65867921 0.95352798 0.83587091
0.60098129 0.96161609 0.67658491
0.80620221 0.59711860 0.64596384
0.89443154 0.57799954 0.68227938
0.92105243 0.48229321 0.70170485
0.75447820 0.52374924 0.59593073
0.78305520 0.43042692 0.60744820
0.85422090 0.40538276 0.67500058
0.84504781 0.26639191 0.79172961
0.92873863 0.24065334 0.83661776
0.93020494 0.19931993 0.93000539
0.76267118 0.23326579 0.82960379
0.76457336 0.18177437 0.91767902
0.84791906 0.16957636 0.97121504
0.00713323 0.49384021 0.75706403
0.00922059 0.24175064 0.77434795
0.55342510 0.44122352 0.95554581
0.47943734 0.42880868 0.12092221
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0.51421456 0.35060830 0.17339330
0.62084189 0.47775605 0.19625392
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0.17701481 0.72693511 0.34719220
0.20465010 0.68615042 0.54623180
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0.10603907 0.68286329 0.39838288
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0.21276537 0.39712370 0.18240705
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0.29244285 0.27862514 0.13278649
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0.21424132 0.39099119 0.00699937
0.29418183 0.28117071 0.30964681
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0.25745021 0.56379019 0.97336815
0.25042672 0.65542065 0.01115541
0.23758438 0.73731308 0.95309458
0.26185705 0.55529057 0.87186954
0.25383775 0.63709507 0.81455001
0.23969284 0.72856625 0.85045071
0.25098776 0.88942878 0.77687703
0.20989120 0.95279624 0.70660813
0.21113567 0.04972511 0.73119219
0.31372746 0.92650367 0.84833034
0.31746280 0.02423351 0.86842835
0.26027771 0.08496611 0.81424959
0.21472143 0.81998630 0.01601921
0.18711160 0.93031937 0.60071956
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0.89571974 0.08808944 0.77897249
0.89374647 0.91411461 0.86654816
0.06972031 0.90472863 0.90332299
0.97726521 0.14376169 0.18885572
0.95285830 0.83678700 0.18480942
0.84082674 0.84108248 0.31843540
0.64239721 0.20659199 0.56872969
0.65243562 0.02956420 0.25238022
0.53729231 0.15726874 0.27210478
0.53551885 0.24978493 0.42403534
0.01482592 0.87274544 0.61537253
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0.91120085 0.66042858 0.00023624
0.95419544 0.45548628 0.98241153
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0.34815573 0.33622030 0.81880910
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0.12115934 0.27021053 0.61383363
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0.80440566 0.90109016 0.73578578
0.65363835 0.79677544 0.84815828
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0.99678461 0.18680682 0.96711976
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0.84849168 0.13227997 0.04143975
0.62367456 0.09205786 0.74996535
0.43767771 0.35540472 0.98953445
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0.39762437 0.84480761 0.70455137
0.16687255 0.74594997 0.27013868
0.21145021 0.68132736 0.62537102
0.06406965 0.63005147 0.53817993
0.03749037 0.66834842 0.36396239
0.65194294 0.34433731 0.25382405
0.15614009 0.40518418 0.23152294
0.36189323 0.39346912 0.23248697
0.34725020 0.28102241 0.08192439
0.14002902 0.28055858 0.08554577
0.24849759 0.66235415 0.08972392
0.27077271 0.48754810 0.83595471
0.25822118 0.63160965 0.73607237
0.17326688 0.09800386 0.68252401
0.35175221 0.87697333 0.89604147
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0.09755732 0.13441662 0.10397270
0.91315836 0.86880298 0.01676310
0.96288525 0.04816398 0.58825338
0.03412464 0.79930590 0.79225384
0.78005154 0.98466279 0.39428738
0.73043591 0.33999986 0.11164966
0.78356040 0.57080586 0.89007427
0.88700716 0.57500717 0.30835918
0.08740450 0.57869356 0.06023728
0.47928744 0.28739618 0.69135210
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0.63713837 0.67812877 0.56081077
0.68106324 0.97853713 0.91976942
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0.84634282 0.31016918 0.69883599
0.45302726 0.42982337 0.81264109
0.53345667 0.69336831 0.99730843
0.48989761 0.26570242 0.18739899
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0.19787148 0.36782500 0.92205416
0.29666964 0.30750921 0.39461877
0.29272552 0.10208068 0.13104542
0.22548897 0.79368771 0.77420581
0.00878026 0.99015204 0.08819827
0.98035217 0.90223534 0.66973947
0.75188261 0.42011994 0.96209150
0.00538329 0.59579113 0.19952833
0.77312426 0.68819442 0.66202495
0.62264370 0.01195528 0.76121545
0.49886822 0.57857493 0.87595958
0.60399216 0.38898682 0.22241021
0.24827423 0.48363291 0.03788076
0.28838843 0.18684372 0.27596273
0.80226312 0.22723683 0.29544878
0.95311901 0.23993746 0.31315623
0.87464260 0.18423566 0.43359226
0.79750058 0.98976474 0.57530821
0.62309260 0.17863483 0.70609149
0.78626814 0.12901912 0.64044688
0.38913462 0.31304488 0.96020156
0.47039006 0.13225827 0.82798374
0.52431641 0.15485006 0.97853909
0.39577415 0.15054405 0.45440555
0.36287309 0.05262949 0.57345322
0.48907698 0.14183953 0.58528587
0.86095362 0.43101507 0.85029358
0.06946699 0.55467561 0.72274330
0.03281430 0.46953264 0.84573903
0.98683586 0.20755732 0.68312791
0.07845028 0.18844530 0.81343388
0.04749181 0.33168784 0.75750245
0.33554283 0.47766084 0.56547824
0.47863406 0.50142986 0.52138467
0.36698433 0.58130619 0.44980328
0.35308209 0.89182275 0.36652046
0.32157945 0.79426824 0.24338188
0.42374393 0.75546731 0.35817941
0.28552803 0.84556541 0.08050035
0.13926787 0.79595589 0.07054104
0.19191273 0.90088160 0.96740687
0.26530882 0.90959646 0.55634432
0.14954515 0.00521677 0.55008407
0.12781114 0.85196967 0.58074516
No title
1
14.471494 -0.278746 -0.402797
-0.273504 13.914299 0.053129
-0.401548 0.055734 13.674128
C H O N F
110 60 25 10 30
Direct configuration= 16
0.07795304 0.04641715 0.95235125
0.93005284 0.02345052 0.76045222
0.95219977 0.94688292 0.82781574
0.02417465 0.96196400 0.92225722
0.06721833 0.06632097 0.05254065
0.97477659 0.93081444 0.01223583
0.95872399 0.00131445 0.66508404
0.99333265 0.87099891 0.76416932
0.96505181 0.99096845 0.17628225
0.94589195 0.07811984 0.21753958
0.88763556 0.08197423 0.29467166
0.93333826 0.90404279 0.21598931
0.87208408 0.90666317 0.28950560
0.84546243 0.99438644 0.32507564
0.71304106 0.05082893 0.39729238
0.70992758 0.10257353 0.48585576
0.64855552 0.17812160 0.49515897
0.65125822 0.07012934 0.31983606
0.58782141 0.14177762 0.33109694
0.58834190 0.19723623 0.41653723
0.87884961 0.18177501 0.33463498
0.76457230 0.07502199 0.56616682
0.84622292 0.47124545 0.09125197
0.85552934 0.57447948 0.13075350
0.92143434 0.59778080 0.04813649
0.89760571 0.49923667 0.00421926
0.77127404 0.40334384 0.06501199
0.81848114 0.49628538 0.92441627
0.91428651 0.58290464 0.22543429
0.01513296 0.59302395 0.09869456
0.67929970 0.39239224 0.90308200
0.59542985 0.34375570 0.94201581
0.54523405 0.28050447 0.86495708
0.67330896 0.42066606 0.80201875
0.60721230 0.38295475 0.73632786
0.53688176 0.31646566 0.76484148
0.38402451 0.26761124 0.68606640
0.34723308 0.21525930 0.60483390
0.25292946 0.21750753 0.57929679
0.32408532 0.30649063 0.74903419
0.23061938 0.30812590 0.72200801
0.19460412 0.26854735 0.63437052
0.51442018 0.19230181 0.88951668
0.39986771 0.14232408 0.55486096
0.75430366 0.83999755 0.73182129
0.66639215 0.85297191 0.79371055
0.60972940 0.85599438 0.69518948
0.69125984 0.82715290 0.63861185
0.80399870 0.74778309 0.74394758
0.69334542 0.72371909 0.61305835
0.65869328 0.95358034 0.83592110
0.60081533 0.96151278 0.67639558
0.80622237 0.59707928 0.64570632
0.89453687 0.57817846 0.68203414
0.92114743 0.48240105 0.70141489
0.75445115 0.52369431 0.59573386
0.78298573 0.43029447 0.60730174
0.85425839 0.40535692 0.67468334
0.84556108 0.26636745 0.79158709
0.92898702 0.24060018 0.83660753
0.93061473 0.19929776 0.93013569
0.76309212 0.23334388 0.82946029
0.76490317 0.18193931 0.91771442
0.84818473 0.16977866 0.97118086
0.00709081 0.49382702 0.75697275
0.00957852 0.24170754 0.77424850
0.55326515 0.44132520 0.95566546
0.47935667 0.42896376 0.12116750
0.54771168 0.51235749 0.12435017
0.58364677 0.52649134 0.01891064
0.49799958 0.47736938 0.87703146
0.53700878 0.61223144 0.96578863
0.51397324 0.35077458 0.17355326
0.62064805 0.47791272 0.19658817
0.46705681 0.62894119 0.79131868
0.45460110 0.57893013 0.70296646
0.41504228 0.61913716 0.61885423
0.44692464 0.72606998 0.79180362
0.41153459 0.76855569 0.70577257
0.39230815 0.71552169 0.62038975
0.27519934 0.72977114 0.49454446
0.26270549 0.74912512 0.39452177
0.17687376 0.72701846 0.34704687
0.20469785 0.68597220 0.54608370
0.12048935 0.66139422 0.49742008
0.10592610 0.68302537 0.39828759
0.39833418 0.54711309 0.53727114
0.34024994 0.79691124 0.34134733
0.21261930 0.39709071 0.18274011
0.30058103 0.34539021 0.22165615
0.29233115 0.27848420 0.13287724
0.20119248 0.32835551 0.09553811
0.24359512 0.49271180 0.14114318
0.21402823 0.39093191 0.00692595
0.29392361 0.28104477 0.30982192
0.28882894 0.17776781 0.17470004
0.25736804 0.56382709 0.97346956
0.25036258 0.65548529 0.01104778
0.23750916 0.73731721 0.95288386
0.26181155 0.55511936 0.87195089
0.25386492 0.63682044 0.81444434
0.23968629 0.72834451 0.85021669
0.25098250 0.88937758 0.77690673
0.20991082 0.95279644 0.70679016
0.21120853 0.04981475 0.73129981
0.31380011 0.92658966 0.84863370
0.31750836 0.02423215 0.86871764
0.26038690 0.08513024 0.81447575
0.21485013 0.82003139 0.01598629
0.18701487 0.93026672 0.60080222
0.13101163 0.08325095 0.91222659
0.89558906 0.08796808 0.77883418
0.89369127 0.91410570 0.86651777
0.06952066 0.90428976 0.90322345
0.97727941 0.14380427 0.18893883
0.95277922 0.83661825 0.18506780
0.84073277 0.84094144 0.31864509
0.64253549 0.20705497 0.56849608
0.65238427 0.02960990 0.25213114
0.53715526 0.15710870 0.27184517
0.53563972 0.25000251 0.42369241
0.01455011 0.87257720 0.61518455
0.74123091 0.50626959 0.26594495
0.79187578 0.61431594 0.13207422
0.91114471 0.66064697 0.00031273
0.95426990 0.45562915 0.98260681
0.61095307 0.30388132 0.00967582
0.72533174 0.47116066 0.77690894
0.60635710 0.40458930 0.65969573
0.22542191 0.17434471 0.51781275
0.34828777 0.33630581 0.81875856
0.18736982 0.33831032 0.77449433
0.12116209 0.27030882 0.61343014
0.06139344 0.59261461 0.24842589
0.80422452 0.90118732 0.73576216
0.65368339 0.79666180 0.84815204
0.54450113 0.81571146 0.68213305
0.70261800 0.86920695 0.57214889
0.93824548 0.63703890 0.71235152
0.68951947 0.53945746 0.55609878
0.74026648 0.37076094 0.57642556
0.99706079 0.18685595 0.96733207
0.69819026 0.23740174 0.78537505
0.70117345 0.14889068 0.94359401
0.84868594 0.13246205 0.04169097
0.62367829 0.09210758 0.74983358
0.43766871 0.35561645 0.98986477
0.40853232 0.43531534 0.09306545
0.52270327 0.58142161 0.14868312
0.65822905 0.54604259 0.01804975
0.47131142 0.50460125 0.69835745
0.45961390 0.76706974 0.85883929
0.39743396 0.84482144 0.70435667
0.16672158 0.74579175 0.26987505
0.21177228 0.68085131 0.62533480
0.06409384 0.62994084 0.53814394
0.03728922 0.66849262 0.36391227
0.65172274 0.34450033 0.25405861
0.15632243 0.40505831 0.23177385
0.36183480 0.39344016 0.23281176
0.34699942 0.28095234 0.08190857
0.13991576 0.28039228 0.08549610
0.24851508 0.66268161 0.08976120
0.27068787 0.48717610 0.83624896
0.25841095 0.63107970 0.73592009
0.17347687 0.09809151 0.68254459
0.35184682 0.87705441 0.89629768
0.36051041 0.05045896 0.93123417
0.25622336 0.16030358 0.83336502
0.29417894 0.12884577 0.32174807
0.09752658 0.13430087 0.10399076
0.91317068 0.86847045 0.01684927
0.96284106 0.04805108 0.58800292
0.03418672 0.79927467 0.79216610
0.77995770 0.98474397 0.39433575
0.73030822 0.34015620 0.11188326
0.78345242 0.57090610 0.89017293
0.88705243 0.57474864 0.30854470
0.08743001 0.57892403 0.06045716
0.47918905 0.28719972 0.69133832
0.85951641 0.72627078 0.80848040
0.63728727 0.67813748 0.56017060
0.68105660 0.97857946 0.91970175
0.58623599 0.99508644 0.59413419
0.84689769 0.31005817 0.69855125
0.45303307 0.42986452 0.81253945
0.53386057 0.69370247 0.99737588
0.48964683 0.26579973 0.18748762
0.69099319 0.53504203 0.22482765
0.35812326 0.76200068 0.53851755
0.26684863 0.56305190 0.19010749
0.19755028 0.36788114 0.92224699
0.29619576 0.30748540 0.39482716
0.29283172 0.10152898 0.13095634
0.22567146 0.79361315 0.77393551
0.00884254 0.98995698 0.08838471
0.98020666 0.90198920 0.66943760
0.75198370 0.41993642 0.96210146
0.00541225 0.59579986 0.19983300
0.77302916 0.68819818 0.66182894
0.62267401 0.01189544 0.76112367
0.49896834 0.57875721 0.87600251
0.60381226 0.38918223 0.22269325
0.24817010 0.48363603 0.03805348
0.28817371 0.18672400 0.27615807
0.80221743 0.22719423 0.29563802
0.95305222 0.24013529 0.31319748
0.87484744 0.18423997 0.43376796
0.79709962 0.98984968 0.57555300
0.62301973 0.17871858 0.70618550
0.78594263 0.12907408 0.64083729
0.38940581 0.31334263 0.96053894
0.47058608 0.13185997 0.82777085
0.52417458 0.15459284 0.97855408
0.39562693 0.15039021 0.45420415
0.36312082 0.05245246 0.57343708
0.48904874 0.14215226 0.58508148
0.86086101 0.43126556 0.85006552
0.06974259 0.55458229 0.72263703
0.03260291 0.46966325 0.84571130
0.98707515 0.20710732 0.68314794
0.07893951 0.18881703 0.81346689
0.04743353 0.33180083 0.75701174
0.33553805 0.47747590 0.56506704
0.47871638 0.50106476 0.52139321
0.36736394 0.58118731 0.44950426
0.35328573 0.89195801 0.36648206
0.32169723 0.79431239 0.24329860
0.42367149 0.75547273 0.35831598
0.28593284 0.84559966 0.08024600
0.13967099 0.79590019 0.07075816
0.19187890 0.90105838 0.96757895
0.26517519 0.90967672 0.55639253
0.14930673 0.00509507 0.55018124
0.12779962 0.85175333 0.58089102
No title
1
14.472328 -0.279411 -0.403172
-0.274181 13.913695 0.052821
-0.401943 0.055442 13.673782
C H O N F
110 60 25 10 30
Direct configuration= 17
0.07796884 0.04638701 0.95236432
0.93002281 0.02350517 0.76045891
0.95220214 0.94683853 0.82781171
0.02417776 0.96192184 0.92227168
0.06718447 0.06620358 0.05249135
0.97478794 0.93077732 0.01225656
0.95872911 0.00128653 0.66499706
0.99331127 0.87099204 0.76411328
0.96505639 0.99095928 0.17628168
0.94588695 0.07813283 0.21755375
0.88763162 0.08197491 0.29467224
0.93330206 0.90400386 0.21603673
0.87207408 0.90666289 0.28950868
0.84544167 0.99437510 0.32508460
0.71303894 0.05083603 0.39727800
0.70991659 0.10261397 0.48587343
0.64855893 0.17815161 0.49508971
0.65124615 0.07012871 0.31979144
0.58781312 0.14178158 0.33106730
0.58836365 0.19725603 0.41651356
0.87885705 0.18178598 0.33465384
0.76452910 0.07508212 0.56620958
0.84621966 0.47125015 0.09127238
0.85553063 0.57449256 0.13077860
0.92142095 0.59782176 0.04815980
0.89761357 0.49924484 0.00422766
0.77129546 0.40336944 0.06501981
0.81846331 0.49632002 0.92439046
0.91431127 0.58290421 0.22539408
0.01520837 0.59304047 0.09870468
0.67931616 0.39239884 0.90308378
0.59540017 0.34377114 0.94201743
0.54521846 0.28049498 0.86497705
0.67324409 0.42061762 0.80203411
0.60722779 0.38298718 0.73631055
0.53684914 0.31643462 0.76485422
0.38402288 0.26758577 0.68604177
0.34722763 0.21523969 0.60480735
0.25290516 0.21749152 0.57922691
0.32408308 0.30651291 0.74905398
0.23063356 0.30814208 0.72194134
0.19458836 0.26857418 0.63433389
0.51440735 0.19225851 0.88949901
0.39985306 0.14232518 0.55483832
0.75429420 0.83997110 0.73182169
0.66638896 0.85297814 0.79370058
0.60969953 0.85595800 0.69517573
0.69124679 0.82713461 0.63857948
0.80375121 0.74791050 0.74366143
0.69343596 0.72379240 0.61310855
0.65866078 0.95352678 0.83579378
0.60081001 0.96146682 0.67646113
0.80622100 0.59712129 0.64567819
0.89455402 0.57818162 0.68198890
0.92115066 0.48242294 0.70136340
0.75444351 0.52367202 0.59569644
0.78295259 0.43026882 0.60725677
0.85428613 0.40534428 0.67465623
0.84558112 0.26637859 0.79154203
0.92909579 0.24058093 0.83662217
0.93064596 0.19930562 0.93013229
0.76316118 0.23335569 0.82944149
0.76494724 0.18198820 0.91767573
0.84826071 0.16977945 0.97124423
0.00710437 0.49385092 0.75693030
0.00961109 0.24170767 0.77424873
0.55327026 0.44133456 0.95571457
0.47927486 0.42901349 0.12117125
0.54770520 0.51238602 0.12438687
0.58364046 0.52650911 0.01895188
0.49796201 0.47737018 0.87698166
0.53703956 0.61227103 0.96580023
0.51394731 0.35077891 0.17359317
0.62064256 0.47798623 0.19664010
0.46707234 0.62895938 0.79130056
0.45465090 0.57894657 0.70298775
0.41506635 0.61911272 0.61882715
0.44692016 0.72609318 0.79181376
0.41152365 0.76856440 0.70576828
0.39230433 0.71552611 0.62036089
0.27519407 0.72976353 0.49452368
0.26270713 0.74914688 0.39449847
0.17684689 0.72703092 0.34701518
0.20471859 0.68594201 0.54609503
0.12048032 0.66139476 0.49738291
0.10589663 0.68303779 0.39829241
0.39837519 0.54708067 0.53723514
0.34024225 0.79692345 0.34134493
0.21266186 0.39709744 0.18273161
0.30054943 0.34537043 0.22170041
0.29230656 0.27849652 0.13288882
0.20116719 0.32834232 0.09555230
0.24354212 0.49254006 0.14108026
0.21404388 0.39098807 0.00719726
0.29389241 0.28106611 0.30987056
0.28883277 0.17741378 0.17454191
0.25735565 0.56379950 0.97348959
0.25035165 0.65551851 0.01108051
0.23749692 0.73731463 0.95285015
0.26180613 0.55508302 0.87195965
0.25386989 0.63678059 0.81440956
0.23968653 0.72833328 0.85018583
0.25100688 0.88938303 0.77694219
0.20990619 0.95281215 0.70680126
0.21124178 0.04982607 0.73134875
0.31379294 0.92656300 0.84865295
0.31751783 0.02427931 0.86877443
0.26039727 0.08512777 0.81449163
0.21490311 0.82005222 0.01596439
0.18699823 0.93025290 0.60081600
0.13100119 0.08323653 0.91222533
0.89559297 0.08790659 0.77880002
0.89367798 0.91410160 0.86651329
0.06949482 0.90422060 0.90320877
0.97727900 0.14380362 0.18895404
0.95276654 0.83659541 0.18510825
0.84071215 0.84091351 0.31868027
0.64255499 0.20713693 0.56848629
0.65237749 0.02961915 0.25210281
0.53713234 0.15708436 0.27180001
0.53564955 0.25004428 0.42363803
0.01453194 0.87253226 0.61511804
0.74122117 0.50630152 0.26598061
0.79187047 0.61431925 0.13210334
0.91113755 0.66067809 0.00032928
0.95427878 0.45565368 0.98263706
0.61093178 0.30389405 0.00972269
0.72534399 0.47119312 0.77689979
0.60630961 0.40459099 0.65969485
0.22539603 0.17437252 0.51773753
0.34830058 0.33630809 0.81872649
0.18737849 0.33838405 0.77444813
0.12116907 0.27032626 0.61336515
0.06140647 0.59258057 0.24848023
0.80419858 0.90120567 0.73575583
0.65368417 0.79663294 0.84815947
0.54449170 0.81567507 0.68211946
0.70260789 0.86919626 0.57213199
0.93827387 0.63707560 0.71230587
0.68951877 0.53945227 0.55605880
0.74023996 0.37074018 0.57640024
0.99711839 0.18686185 0.96737035
0.69825432 0.23741217 0.78533944
0.70120505 0.14893993 0.94359884
0.84871711 0.13251061 0.04169443
0.62367787 0.09210452 0.74981708
0.43770428 0.35568092 0.98993686
0.40853969 0.43532682 0.09307250
0.52268590 0.58147755 0.14872069
0.65823799 0.54604862 0.01810676
0.47138255 0.50461429 0.69837125
0.45960168 0.76710630 0.85885517
0.39740487 0.84481928 0.70432653
0.16669749 0.74577292 0.26983399
0.21181984 0.68077839 0.62531305
0.06409025 0.62991997 0.53814428
0.03726306 0.66851943 0.36390557
0.65168732 0.34452648 0.25409704
0.15631223 0.40504393 0.23184540
0.36184253 0.39344644 0.23286410
0.34696724 0.28093728 0.08190251
0.13990211 0.28037137 0.08549501
0.24851720 0.66272522 0.08973886
0.27067665 0.48712346 0.83629196
0.25843895 0.63100063 0.73590345
0.17350059 0.09811376 0.68253968
0.35186237 0.87706440 0.89633981
0.36051604 0.05047467 0.93128979
0.25626002 0.16033812 0.83340056
0.29413984 0.12881288 0.32177286
0.09756795 0.13438207 0.10407128
0.91317325 0.86841479 0.01686012
0.96282231 0.04802125 0.58799330
0.03420523 0.79925016 0.79216256
0.77993659 0.98475896 0.39434808
0.73027184 0.34015879 0.11193577
0.78345656 0.57088371 0.89020940
0.88703383 0.57469989 0.30865861
0.08736243 0.57897631 0.06052654
0.47916593 0.28716782 0.69132961
0.85975627 0.72619492 0.80868662
0.63722010 0.67805923 0.55998129
0.68108900 0.97862612 0.91981329
0.58617136 0.99509540 0.59403752
0.84698624 0.31003667 0.69851265
0.45306253 0.42989597 0.81256375
0.53392561 0.69375544 0.99738955
0.48960538 0.26581517 0.18750305
0.69098472 0.53506435 0.22488987
0.35813723 0.76198514 0.53850823
0.26694197 0.56320163 0.19023501
0.19745318 0.36782179 0.92203160
0.29611932 0.30747157 0.39484580
0.29282818 0.10178292 0.13113353
0.22569690 0.79358021 0.77389573
0.00885086 0.98992711 0.08841690
0.98015381 0.90197122 0.66947013
0.75197895 0.41990052 0.96209736
0.00539421 0.59580175 0.19986700
0.77302463 0.68814366 0.66177070
0.62267485 0.01190410 0.76110175
0.49899626 0.57877698 0.87603792
0.60378755 0.38918546 0.22274950
0.24816523 0.48365960 0.03806377
0.28813710 0.18671389 0.27619245
0.80220308 0.22719219 0.29566532
0.95304400 0.24016439 0.31320116
0.87487833 0.18423960 0.43379915
0.79705343 0.98982450 0.57559378
0.62300842 0.17873710 0.70619739
0.78588235 0.12906524 0.64086822
0.38940488 0.31335566 0.96056593
0.47062278 0.13180845 0.82774592
0.52415626 0.15455139 0.97856854
0.39560196 0.15036691 0.45415632
0.36315419 0.05241141 0.57343786
0.48906517 0.14220067 0.58505230
0.86084559 0.43130616 0.85003491
0.06976527 0.55455277 0.72262685
0.03257626 0.46967346 0.84572676
0.98711423 0.20702766 0.68313397
0.07902746 0.18886883 0.81348386
0.04743439 0.33183258 0.75693281
0.33552887 0.47744456 0.56501012
0.47872483 0.50101368 0.52139768
0.36742065 0.58117388 0.44945416
0.35331395 0.89198267 0.36647848
0.32171230 0.79431854 0.24327234
0.42366991 0.75546728 0.35833666
0.28599268 0.84560367 0.08020249
0.13971363 0.79588656 0.07080836
0.19187171 0.90108105 0.96760403
0.26515842 0.90968601 0.55639565
0.14926828 0.00507950 0.55019405
0.12779461 0.85171671 0.58091612
No title
1
14.475270 -0.284078 -0.407390
-0.278880 13.908723 0.051199
-0.406227 0.053903 13.667720
C H O N F
110 60 25 10 30
Direct configuration= 18
0.07805194 0.04617052 0.95242402
0.92997350 0.02356740 0.76040402
0.95219063 0.94665776 0.82775967
0.02419404 0.96163059 0.92233818
0.06720498 0.06599170 0.05259611
0.97480955 0.93047848 0.01235610
0.95868399 0.00112555 0.66474286
0.99323765 0.87082091 0.76396275
0.96503391 0.99087868 0.17636838
0.94586906 0.07815922 0.21761410
0.88758577 0.08196914 0.29470171
0.93316494 0.90385058 0.21622063
0.87193050 0.90659614 0.28961794
0.84532409 0.99434607 0.32513187
0.71299501 0.05091454 0.39720466
0.70986631 0.10280704 0.48591649
0.64860160 0.17839997 0.49483541
0.65118361 0.07015340 0.31958324
0.58776795 0.14178514 0.33085747
0.58842339 0.19741505 0.41628905
0.87889734 0.18186029 0.33476743
0.76426727 0.07528882 0.56639162
0.84622257 0.47130150 0.09135868
0.85553610 0.57458512 0.13091429
0.92139206 0.59804450 0.04830917
0.89763418 0.49933260 0.00430370
0.77130247 0.40337748 0.06514228
0.81844453 0.49639227 0.92433301
0.91432957 0.58285494 0.22560779
0.01518946 0.59322688 0.09891769
0.67931260 0.39237173 0.90312845
0.59526998 0.34383303 0.94211593
0.54509330 0.28041067 0.86507666
0.67308239 0.42053070 0.80209609
0.60714066 0.38303645 0.73620327
0.53671482 0.31628912 0.76488184
0.38394789 0.26746560 0.68596072
0.34711513 0.21512172 0.60461996
0.25278132 0.21745587 0.57888537
0.32409290 0.30656777 0.74900503
0.23069192 0.30830594 0.72163972
0.19455823 0.26867099 0.63401211
0.51436186 0.19202826 0.88945562
0.39981687 0.14229808 0.55466854
0.75417345 0.83995514 0.73174357
0.66633098 0.85291018 0.79366272
0.60957085 0.85574968 0.69509010
0.69113950 0.82708161 0.63841961
0.80388676 0.74785621 0.74365008
0.69332665 0.72365173 0.61270960
0.65867720 0.95349206 0.83579729
0.60065193 0.96139032 0.67628967
0.80627341 0.59715841 0.64545877
0.89463656 0.57828137 0.68171596
0.92119391 0.48253946 0.70105277
0.75440331 0.52360203 0.59548727
0.78283840 0.43011565 0.60705543
0.85438966 0.40528671 0.67442021
0.84593368 0.26640266 0.79134657
0.92951948 0.24053397 0.83661564
0.93096181 0.19931541 0.93021033
0.76354501 0.23345057 0.82926406
0.76530595 0.18221169 0.91760827
0.84859550 0.16988722 0.97140257
0.00716094 0.49393031 0.75676088
0.00991101 0.24169596 0.77422503
0.55321788 0.44141326 0.95591721
0.47898773 0.42923778 0.12130584
0.54762506 0.51261185 0.12461742
0.58362604 0.52662718 0.01920943
0.49793880 0.47748149 0.87699146
0.53723795 0.61249669 0.96589494
0.51376469 0.35090376 0.17379712
0.62053420 0.47824681 0.19698549
0.46719453 0.62910788 0.79129438
0.45493260 0.57902434 0.70301226
0.41522667 0.61900067 0.61870804
0.44688498 0.72623090 0.79185085
0.41145460 0.76859739 0.70573158
0.39231510 0.71548621 0.62022482
0.27517602 0.72971290 0.49442046
0.26264817 0.74925506 0.39434773
0.17670680 0.72710711 0.34686244
0.20480618 0.68575510 0.54604015
0.12045169 0.66137853 0.49727608
0.10574180 0.68314924 0.39824593
0.39860399 0.54687457 0.53700531
0.34023773 0.79700833 0.34129470
0.21274226 0.39708976 0.18285506
0.30045187 0.34526077 0.22194545
0.29216528 0.27841152 0.13295923
0.20104325 0.32825823 0.09566411
0.24360241 0.49259949 0.14134469
0.21384667 0.39094181 0.00723121
0.29365962 0.28098495 0.30998338
0.28875624 0.17732383 0.17468059
0.25728178 0.56377910 0.97359460
0.25028956 0.65562648 0.01113441
0.23742672 0.73729771 0.95267009
0.26176827 0.55488551 0.87201405
0.25389872 0.63653659 0.81427211
0.23969179 0.72820665 0.84996834
0.25107839 0.88937739 0.77705687
0.20990852 0.95288521 0.70693329
0.21136768 0.04988933 0.73152147
0.31381629 0.92654001 0.84886618
0.31754991 0.02442309 0.86906511
0.26050781 0.08521943 0.81468991
0.21519053 0.82016931 0.01584910
0.18690168 0.93018141 0.60088536
0.13093508 0.08315356 0.91222168
0.89553577 0.08767632 0.77863311
0.89360145 0.91406464 0.86648154
0.06932316 0.90379406 0.90312200
0.97728787 0.14381385 0.18904265
0.95268320 0.83643903 0.18536540
0.84060196 0.84077986 0.31888155
0.64267837 0.20761883 0.56833596
0.65233511 0.02966041 0.25190030
0.53700124 0.15693297 0.27153715
0.53573694 0.25028225 0.42329988
0.01432476 0.87231617 0.61485027
0.74119785 0.50648442 0.26623500
0.79184694 0.61433611 0.13229133
0.91108966 0.66088046 0.00043021
0.95434291 0.45579617 0.98281586
0.61078981 0.30399955 0.00996200
0.72531229 0.47129061 0.77689356
0.60602332 0.40461571 0.65966799
0.22522358 0.17452371 0.51723703
0.34839148 0.33635219 0.81859801
0.18746485 0.33882192 0.77411575
0.12119246 0.27044450 0.61295988
0.06142700 0.59236968 0.24879036
0.80403160 0.90129836 0.73572354
0.65370264 0.79649817 0.84817516
0.54440836 0.81542822 0.68203041
0.70253968 0.86914248 0.57201356
0.93842740 0.63728573 0.71201347
0.68951315 0.53942231 0.55580904
0.74005966 0.37058818 0.57622867
0.99742596 0.18690981 0.96757777
0.69866436 0.23747832 0.78512849
0.70142955 0.14926674 0.94360737
0.84891950 0.13276703 0.04181188
0.62367414 0.09213542 0.74970283
0.43783337 0.35600004 0.99033304
0.40846647 0.43541818 0.09308081
0.52258958 0.58180244 0.14894517
0.65827897 0.54608489 0.01846562
0.47182904 0.50471017 0.69845658
0.45952434 0.76733034 0.85895289
0.39722155 0.84481707 0.70414077
0.16654490 0.74565776 0.26957662
0.21211847 0.68031818 0.62522175
0.06408969 0.62980294 0.53812266
0.03709338 0.66868519 0.36386626
0.65148850 0.34466688 0.25435119
0.15635057 0.40495167 0.23220333
0.36184365 0.39344983 0.23318428
0.34675693 0.28086764 0.08187716
0.13980188 0.28023339 0.08548434
0.24852997 0.66299644 0.08969329
0.27060484 0.48677956 0.83655948
0.25861566 0.63050557 0.73577920
0.17367990 0.09822552 0.68255246
0.35195068 0.87712439 0.89659691
0.36056418 0.05058567 0.93165574
0.25648590 0.16050912 0.83360648
0.29389428 0.12864050 0.32195523
0.09762161 0.13442161 0.10422463
0.91322398 0.86810234 0.01693665
0.96272379 0.04788962 0.58777937
0.03427181 0.79921574 0.79206915
0.77982499 0.98483749 0.39441647
0.73012583 0.34029519 0.11217721
0.78340536 0.57088679 0.89037003
0.88704466 0.57443662 0.30894842
0.08734188 0.57922668 0.06076296
0.47905680 0.28698692 0.69130213
0.85978087 0.72632936 0.80828044
0.63737482 0.67805283 0.55935871
0.68110118 0.97869139 0.91979972
0.58585956 0.99495013 0.59390648
0.84752761 0.30992028 0.69826835
0.45311049 0.42997202 0.81253385
0.53433161 0.69408460 0.99746810
0.48934379 0.26589151 0.18760022
0.69092604 0.53526316 0.22525547
0.35819216 0.76190671 0.53841065
0.26721109 0.56321259 0.19041348
0.19712271 0.36783076 0.92213664
0.29565056 0.30744968 0.39509076
0.29290205 0.10155455 0.13121278
0.22587136 0.79341960 0.77366168
0.00890944 0.98973149 0.08858143
0.97993836 0.90176669 0.66934661
0.75200338 0.41971331 0.96209644
0.00538305 0.59580820 0.20012988
0.77292847 0.68809587 0.66151417
0.62268971 0.01187488 0.76098976
0.49912996 0.57892016 0.87616053
0.60359964 0.38936428 0.22303452
0.24807302 0.48366763 0.03822613
0.28791558 0.18659430 0.27638406
0.80212888 0.22717346 0.29584774
0.95298300 0.24033959 0.31322800
0.87507084 0.18423838 0.43398132
0.79672606 0.98976955 0.57583388
0.62294013 0.17883026 0.70628092
0.78553573 0.12908013 0.64115675
0.38950519 0.31352578 0.96078558
0.47083846 0.13146553 0.82757064
0.52403613 0.15430404 0.97861713
0.39544754 0.15021799 0.45389920
0.36337267 0.05218247 0.57343782
0.48911961 0.14250269 0.58484977
0.86075042 0.43155302 0.84983209
0.06994415 0.55440624 0.72254075
0.03238697 0.46976442 0.84574048
0.98736548 0.20654627 0.68308341
0.07954977 0.18921345 0.81356839
0.04742007 0.33199792 0.75643672
0.33548766 0.47726723 0.56465015
0.47878356 0.50069055 0.52142247
0.36778538 0.58108327 0.44916104
0.35348322 0.89212266 0.36645266
0.32181015 0.79435925 0.24314167
0.42363382 0.75544498 0.35845842
0.28637129 0.84563405 0.07992684
0.14001554 0.79581417 0.07109807
0.19183455 0.90121858 0.96776390
0.26503893 0.90974124 0.55642141
0.14903209 0.00496929 0.55028268
0.12776388 0.85149469 0.58107899
No title
1
14.475478 -0.285218 -0.408144
-0.280037 13.906651 0.050706
-0.407014 0.053436 13.665738
C H O N F
110 60 25 10 30
Direct configuration= 19
0.07804581 0.04609725 0.95246629
0.93006319 0.02337799 0.76032645
0.95216276 0.94667946 0.82772159
0.02420445 0.96155488 0.92234391
0.06727320 0.06605979 0.05269258
0.97484276 0.93042594 0.01237225
0.95862653 0.00111889 0.66479598
0.99320917 0.87080674 0.76396392
0.96500174 0.99084301 0.17643595
0.94586144 0.07811547 0.21762562
0.88757300 0.08198016 0.29471645
0.93316096 0.90387089 0.21623115
0.87187511 0.90654964 0.28966763
0.84529713 0.99435782 0.32514383
0.71296351 0.05095700 0.39720439
0.70984728 0.10282398 0.48585312
0.64862468 0.17850098 0.49488612
0.65118925 0.07016924 0.31958179
0.58774877 0.14178365 0.33078686
0.58839944 0.19747068 0.41618614
0.87889029 0.18186285 0.33478994
0.76423653 0.07520442 0.56642037
0.84622845 0.47132160 0.09136772
0.85552956 0.57460846 0.13095570
0.92139268 0.59807425 0.04834256
0.89762606 0.49936737 0.00432653
0.77128014 0.40335959 0.06517963
0.81849185 0.49633343 0.92437998
0.91430979 0.58283425 0.22573674
0.01516025 0.59328095 0.09897523
0.67924046 0.39231772 0.90315888
0.59526143 0.34383520 0.94217572
0.54505147 0.28038147 0.86508905
0.67315052 0.42062088 0.80204587
0.60703704 0.38295638 0.73626126
0.53673607 0.31630070 0.76486089
0.38389983 0.26743967 0.68595051
0.34706489 0.21509748 0.60457431
0.25276806 0.21746603 0.57883175
0.32408727 0.30653942 0.74890426
0.23068756 0.30837215 0.72161190
0.19458419 0.26867793 0.63391407
0.51436823 0.19198921 0.88948118
0.39982927 0.14226426 0.55462541
0.75415858 0.83994090 0.73172587
0.66631601 0.85286268 0.79366173
0.60956757 0.85574311 0.69505579
0.69110027 0.82703268 0.63840501
0.80372360 0.74793270 0.74343882
0.69337645 0.72368983 0.61268118
0.65867056 0.95350554 0.83578193
0.60061811 0.96133375 0.67629164
0.80626061 0.59713009 0.64537532
0.89466534 0.57834198 0.68165126
0.92121575 0.48254016 0.70098615
0.75441687 0.52357176 0.59545122
0.78285079 0.43009655 0.60704449
0.85438575 0.40529818 0.67432674
0.84610539 0.26638366 0.79134680
0.92953616 0.24054485 0.83659382
0.93107305 0.19931607 0.93023930
0.76364596 0.23347292 0.82922274
0.76538950 0.18223263 0.91764696
0.84863398 0.16996261 0.97133622
0.00714563 0.49391261 0.75675605
0.01000992 0.24168348 0.77417417
0.55317189 0.44143853 0.95592252
0.47906179 0.42925229 0.12141186
0.54756882 0.51269248 0.12468723
0.58364212 0.52666839 0.01926430
0.49799467 0.47751286 0.87708714
0.53729387 0.61256237 0.96594807
0.51368793 0.35097051 0.17381868
0.62047492 0.47826291 0.19706253
0.46723730 0.62915659 0.79134377
0.45498783 0.57903573 0.70296175
0.41526895 0.61900178 0.61869008
0.44687623 0.72626754 0.79186720
0.41143276 0.76858632 0.70570307
0.39234757 0.71542267 0.62023657
0.27517981 0.72970291 0.49438844
0.26260222 0.74926456 0.39432072
0.17668386 0.72712729 0.34683367
0.20481315 0.68570908 0.54597500
0.12044711 0.66135844 0.49731088
0.10572666 0.68319418 0.39819970
0.39861557 0.54683588 0.53697887
0.34026285 0.79702839 0.34127517
0.21266994 0.39707276 0.18296961
0.30048310 0.34528084 0.22196107
0.29214110 0.27837411 0.13299009
0.20102487 0.32825266 0.09568221
0.24363064 0.49261113 0.14137293
0.21380370 0.39093805 0.00726473
0.29359030 0.28096385 0.31012366
0.28873099 0.17730979 0.17471926
0.25726024 0.56380296 0.97362206
0.25027925 0.65560682 0.01106445
0.23741890 0.73730505 0.95263390
0.26175653 0.55485836 0.87204198
0.25390600 0.63647117 0.81426751
0.23969794 0.72813832 0.84991696
0.25107397 0.88936135 0.77705442
0.20992206 0.95286395 0.70697543
0.21135752 0.04992945 0.73150327
0.31383488 0.92660181 0.84894010
0.31756123 0.02438108 0.86912647
0.26055116 0.08528168 0.81477509
0.21517698 0.82016548 0.01584870
0.18688099 0.93017477 0.60091597
0.13092302 0.08313602 0.91221906
0.89547119 0.08771866 0.77862055
0.89358857 0.91405043 0.86646488
0.06927667 0.90369495 0.90311071
0.97729853 0.14383051 0.18905936
0.95266184 0.83638893 0.18542957
0.84057937 0.84076494 0.31892476
0.64270975 0.20771922 0.56824275
0.65232334 0.02965791 0.25183154
0.53697719 0.15689503 0.27148334
0.53577104 0.25032994 0.42321552
0.01424026 0.87228371 0.61483548
0.74120687 0.50652306 0.26631329
0.79184767 0.61433892 0.13233939
0.91107788 0.66093395 0.00045807
0.95435730 0.45583150 0.98285754
0.61075103 0.30403496 0.00999702
0.72524142 0.47125238 0.77692367
0.60595844 0.40463792 0.65961592
0.22517806 0.17455155 0.51710513
0.34842379 0.33638213 0.81861114
0.18750332 0.33891636 0.77400505
0.12118496 0.27048035 0.61285606
0.06141134 0.59231823 0.24885359
0.80398618 0.90131554 0.73571321
0.65370827 0.79647974 0.84816685
0.54437472 0.81535494 0.68200435
0.70251955 0.86914159 0.57197054
0.93845498 0.63731773 0.71192861
0.68950697 0.53941244 0.55574536
0.74001001 0.37053736 0.57618063
0.99749352 0.18692436 0.96762121
0.69875656 0.23749689 0.78507234
0.70152105 0.14936741 0.94359257
0.84897458 0.13280802 0.04188948
0.62367377 0.09213723 0.74967868
0.43783013 0.35604748 0.99040976
0.40836988 0.43545520 0.09305898
0.52257939 0.58185910 0.14899091
0.65827705 0.54609226 0.01855831
0.47194304 0.50474163 0.69847632
0.45950196 0.76737569 0.85896385
0.39717583 0.84482701 0.70409868
0.16650517 0.74563286 0.26952028
0.21219123 0.68020119 0.62521519
0.06410625 0.62978386 0.53810081
0.03704469 0.66872723 0.36385548
0.65143711 0.34470371 0.25441605
0.15641279 0.40492648 0.23224212
0.36181036 0.39341791 0.23326168
0.34669849 0.28085321 0.08187997
0.13977045 0.28019845 0.08549165
0.24853011 0.66306711 0.08973419
0.27058818 0.48669726 0.83662237
0.25865889 0.63038739 0.73574530
0.17374290 0.09823474 0.68258262
0.35197118 0.87713581 0.89666133
0.36057520 0.05061672 0.93175013
0.25654038 0.16053607 0.83365286
0.29383072 0.12860811 0.32199958
0.09758041 0.13431208 0.10418107
0.91321526 0.86799998 0.01696096
0.96270345 0.04785172 0.58769078
0.03429622 0.79918786 0.79204145
0.77980862 0.98485300 0.39442486
0.73010211 0.34035098 0.11222557
0.78335519 0.57096778 0.89037231
0.88707075 0.57437794 0.30894314
0.08735164 0.57928683 0.06081590
0.47903311 0.28694518 0.69130313
0.85993949 0.72629270 0.80836177
0.63735096 0.67800062 0.55914383
0.68110572 0.97870124 0.91979278
0.58577572 0.99492689 0.59384705
0.84765885 0.30990479 0.69819216
0.45309696 0.42997229 0.81249359
0.53443416 0.69413990 0.99747193
0.48928993 0.26592888 0.18762651
0.69090905 0.53533665 0.22533940
0.35818255 0.76190119 0.53835553
0.26727772 0.56322675 0.19047051
0.19703642 0.36782593 0.92214426
0.29553397 0.30742528 0.39507557
0.29292140 0.10150121 0.13123953
0.22592053 0.79342091 0.77360423
0.00892424 0.98967981 0.08860436
0.97992239 0.90169154 0.66920837
0.75205023 0.41969774 0.96211545
0.00540108 0.59580475 0.20021508
0.77292671 0.68809635 0.66147219
0.62269621 0.01185624 0.76096147
0.49914305 0.57897860 0.87614328
0.60354794 0.38942560 0.22309621
0.24804367 0.48366206 0.03826261
0.28786330 0.18655104 0.27640237
0.80212385 0.22716683 0.29590340
0.95296651 0.24038338 0.31323592
0.87512039 0.18424241 0.43401874
0.79660615 0.98985597 0.57587960
0.62292351 0.17885651 0.70629966
0.78546188 0.12911842 0.64127194
0.38956639 0.31360326 0.96085950
0.47088624 0.13137232 0.82751909
0.52400424 0.15424992 0.97860567
0.39540906 0.15017485 0.45385717
0.36344344 0.05216124 0.57342828
0.48909859 0.14257520 0.58477989
0.86072399 0.43161575 0.84978023
0.07001215 0.55439395 0.72250695
0.03233499 0.46979795 0.84570932
0.98744803 0.20644949 0.68312431
0.07966852 0.18931727 0.81358300
0.04740852 0.33200938 0.75631221
0.33549949 0.47724598 0.56455049
0.47881727 0.50059815 0.52141940
0.36788391 0.58105440 0.44909344
0.35351905 0.89214305 0.36644150
0.32183552 0.79437193 0.24312092
0.42360262 0.75545131 0.35847920
0.28649031 0.84565381 0.07986951
0.14014599 0.79581588 0.07113355
0.19183350 0.90125095 0.96780084
0.26499974 0.90974987 0.55642672
0.14897442 0.00493342 0.55030281
0.12776061 0.85144698 0.58112301
No title
1
14.476568 -0.289262 -0.411916
-0.284130 13.900139 0.049071
-0.410858 0.051873 13.658419
C H O N F
110 60 25 10 30
Direct configuration= 20
0.07808339 0.04587531 0.95257043
0.93010884 0.02324238 0.76021132
0.95211039 0.94656379 0.82765057
0.02424055 0.96130715 0.92240048
0.06728844 0.06581595 0.05270867
0.97487400 0.93015000 0.01246223
0.95853415 0.00101547 0.66458581
0.99314451 0.87065849 0.76382763
0.96496207 0.99073230 0.17654730
0.94583200 0.07807730 0.21769520
0.88753628 0.08200632 0.29475247
0.93304993 0.90378606 0.21639246
0.87175052 0.90647984 0.28976944
0.84519152 0.99435147 0.32519436
0.71288878 0.05106407 0.39715815
0.70979419 0.10297713 0.48582149
0.64865879 0.17877576 0.49473258
0.65117125 0.07019467 0.31945828
0.58769058 0.14179238 0.33056236
0.58844395 0.19762989 0.41595557
0.87888208 0.18188851 0.33488338
0.76401512 0.07525216 0.56654596
0.84623085 0.47138849 0.09144045
0.85552559 0.57468441 0.13112863
0.92137143 0.59823163 0.04847425
0.89763554 0.49946817 0.00440328
0.77129111 0.40340141 0.06527262
0.81849573 0.49637579 0.92437619
0.91436079 0.58279336 0.22584329
0.01518683 0.59345280 0.09918903
0.67917222 0.39226061 0.90320478
0.59514721 0.34384828 0.94231590
0.54492960 0.28031511 0.86514844
0.67306099 0.42062090 0.80201714
0.60691939 0.38293377 0.73629926
0.53665220 0.31619955 0.76489271
0.38380241 0.26729659 0.68582184
0.34695075 0.21499053 0.60440863
0.25269984 0.21743129 0.57852702
0.32405525 0.30655862 0.74878562
0.23070039 0.30853591 0.72133957
0.19459139 0.26878669 0.63364454
0.51435590 0.19180741 0.88948852
0.39981146 0.14219460 0.55447686
0.75406111 0.83992404 0.73164755
0.66626296 0.85274963 0.79362802
0.60948157 0.85562069 0.69494548
0.69096938 0.82695018 0.63828575
0.80384893 0.74787166 0.74342094
0.69328387 0.72357360 0.61228776
0.65864667 0.95349382 0.83568577
0.60047680 0.96121003 0.67617902
0.80629372 0.59709912 0.64512677
0.89474322 0.57845774 0.68139137
0.92127274 0.48261408 0.70071104
0.75439539 0.52347042 0.59526390
0.78279716 0.42995844 0.60690837
0.85445561 0.40528903 0.67406431
0.84649869 0.26637412 0.79123526
0.92989622 0.24051357 0.83660031
0.93138949 0.19935918 0.93025883
0.76405207 0.23353206 0.82912513
0.76565139 0.18241855 0.91759002
0.84891740 0.17012321 0.97136667
0.00713058 0.49392629 0.75663170
0.01030266 0.24166018 0.77405309
0.55310060 0.44152376 0.95606790
0.47894892 0.42944618 0.12160587
0.54744338 0.51293222 0.12494726
0.58365501 0.52681250 0.01947045
0.49798860 0.47756952 0.87711752
0.53749923 0.61272727 0.96606719
0.51347026 0.35109512 0.17398780
0.62033650 0.47849595 0.19735622
0.46736354 0.62929885 0.79137865
0.45523109 0.57912806 0.70291445
0.41543156 0.61891305 0.61857896
0.44684403 0.72640129 0.79191885
0.41136199 0.76857746 0.70563868
0.39239916 0.71531931 0.62017712
0.27517937 0.72966312 0.49424153
0.26251516 0.74933417 0.39421202
0.17656758 0.72720569 0.34667666
0.20487537 0.68552345 0.54587305
0.12042177 0.66132157 0.49725736
0.10563307 0.68331577 0.39814180
0.39871457 0.54669659 0.53684931
0.34029209 0.79708490 0.34122723
0.21260689 0.39702686 0.18320820
0.30046538 0.34524916 0.22208989
0.29204451 0.27829404 0.13310207
0.20091672 0.32819451 0.09580166
0.24367409 0.49256293 0.14150876
0.21365290 0.39094822 0.00745684
0.29334608 0.28083896 0.31019605
0.28865251 0.17706312 0.17477715
0.25718598 0.56376809 0.97368428
0.25022725 0.65566274 0.01102909
0.23738664 0.73731003 0.95245270
0.26171934 0.55469385 0.87213701
0.25393819 0.63621706 0.81416655
0.23971284 0.72797907 0.84974502
0.25112926 0.88935651 0.77713711
0.20994711 0.95286078 0.70708857
0.21145972 0.05003233 0.73164502
0.31385814 0.92662236 0.84914507
0.31761953 0.02443538 0.86941975
0.26064899 0.08536898 0.81495123
0.21522534 0.82018171 0.01583686
0.18678960 0.93011768 0.60102747
0.13085089 0.08304361 0.91222549
0.89538659 0.08758228 0.77848679
0.89354052 0.91400499 0.86640136
0.06911231 0.90330783 0.90305477
0.97731495 0.14384453 0.18914029
0.95258014 0.83623306 0.18567448
0.84046908 0.84065826 0.31910826
0.64282212 0.20815365 0.56803551
0.65228382 0.02967388 0.25162640
0.53687147 0.15675351 0.27125235
0.53585957 0.25054678 0.42289041
0.01403051 0.87208102 0.61461047
0.74120325 0.50668608 0.26658353
0.79183790 0.61435770 0.13251944
0.91103543 0.66112348 0.00057235
0.95440335 0.45597221 0.98301948
0.61061410 0.30414195 0.01018004
0.72514221 0.47127269 0.77695350
0.60569789 0.40467143 0.65954893
0.22502389 0.17468060 0.51664676
0.34851020 0.33644122 0.81853533
0.18760106 0.33930929 0.77364978
0.12119588 0.27061286 0.61246390
0.06140583 0.59212212 0.24912916
0.80382423 0.90138544 0.73567538
0.65372176 0.79637736 0.84816047
0.54429046 0.81510735 0.68191029
0.70243132 0.86911109 0.57184164
0.93858142 0.63748724 0.71162836
0.68950867 0.53936400 0.55552359
0.73985935 0.37038868 0.57602691
0.99778504 0.18697548 0.96780066
0.69911507 0.23756788 0.78485874
0.70182028 0.14971679 0.94356908
0.84917907 0.13303176 0.04205093
0.62366882 0.09214774 0.74958327
0.43788676 0.35628815 0.99074061
0.40823158 0.43557068 0.09306383
0.52251696 0.58211699 0.14918193
0.65829663 0.54612632 0.01890938
0.47237659 0.50484172 0.69854101
0.45941642 0.76756375 0.85902001
0.39700373 0.84484280 0.70393470
0.16635931 0.74554280 0.26931439
0.21246204 0.67976383 0.62512734
0.06413256 0.62968980 0.53805303
0.03687560 0.66889426 0.36381532
0.65122530 0.34485953 0.25465427
0.15652685 0.40484596 0.23249638
0.36175347 0.39335554 0.23355937
0.34648442 0.28079063 0.08188449
0.13966919 0.28008228 0.08551820
0.24853365 0.66331135 0.08976341
0.27052466 0.48641012 0.83687019
0.25881924 0.62994368 0.73564880
0.17392766 0.09832813 0.68262835
0.35203937 0.87719883 0.89689117
0.36060104 0.05071242 0.93208136
0.25675118 0.16069983 0.83385468
0.29358868 0.12846951 0.32215611
0.09762972 0.13433654 0.10434673
0.91326473 0.86769256 0.01704054
0.96258428 0.04765697 0.58753361
0.03436367 0.79914621 0.79193999
0.77971813 0.98492522 0.39447343
0.72995120 0.34047578 0.11246815
0.78329304 0.57099795 0.89051888
0.88705941 0.57412234 0.30927035
0.08728424 0.57953638 0.06105914
0.47893070 0.28678688 0.69129050
0.85991462 0.72641398 0.80795575
0.63750694 0.67800038 0.55856374
0.68113651 0.97876471 0.91982279
0.58547830 0.99479234 0.59372369
0.84816416 0.30983761 0.69792102
0.45317361 0.43008517 0.81252098
0.53481936 0.69444840 0.99753279
0.48907459 0.26607053 0.18772380
0.69083441 0.53555618 0.22566791
0.35819763 0.76183808 0.53822762
0.26755273 0.56332930 0.19070475
0.19669704 0.36778684 0.92211128
0.29509492 0.30742376 0.39537871
0.29297831 0.10145499 0.13141926
0.22610136 0.79334886 0.77340099
0.00896899 0.98950605 0.08876169
0.97972127 0.90151748 0.66905696
0.75211104 0.41957418 0.96213903
0.00538138 0.59579431 0.20047837
0.77287680 0.68811108 0.66128423
0.62271232 0.01180616 0.76084808
0.49925110 0.57915087 0.87621946
0.60338293 0.38955061 0.22337919
0.24794901 0.48367303 0.03838497
0.28765809 0.18640314 0.27653298
0.80208830 0.22714894 0.29610657
0.95290717 0.24054624 0.31326063
0.87530442 0.18425388 0.43416933
0.79624847 0.98993826 0.57608781
0.62286108 0.17895069 0.70637545
0.78514163 0.12916587 0.64157084
0.38971858 0.31383034 0.96109440
0.47108400 0.13104453 0.82735161
0.52389126 0.15402847 0.97861783
0.39526258 0.15001475 0.45366022
0.36369523 0.05203299 0.57340168
0.48908196 0.14284907 0.58453169
0.86062301 0.43186133 0.84960092
0.07021359 0.55430159 0.72240253
0.03215740 0.46989627 0.84566905
0.98775274 0.20605018 0.68321385
0.08013820 0.18969119 0.81365891
0.04738742 0.33209177 0.75583991
0.33551989 0.47714843 0.56418894
0.47892102 0.50026737 0.52141874
0.36825247 0.58095067 0.44883590
0.35365646 0.89224089 0.36640449
0.32192982 0.79441936 0.24301662
0.42351856 0.75545905 0.35855952
0.28691363 0.84571801 0.07963083
0.14058693 0.79580601 0.07130787
0.19182136 0.90137307 0.96793397
0.26486400 0.90978490 0.55644083
0.14875649 0.00480898 0.55037898
0.12774918 0.85126363 0.58129120
No title
1
14.483310 -0.304727 -0.425555
-0.299807 13.877382 0.042273
-0.424849 0.045379 13.632183
C H O N F
110 60 25 10 30
Direct configuration= 21
0.07828578 0.04504565 0.95283576
0.93011961 0.02304401 0.75986629
0.95198838 0.94601817 0.82739213
0.02432559 0.96029659 0.92261186
0.06745370 0.06520231 0.05315645
0.97502102 0.92911167 0.01280718
0.95820400 0.00039964 0.66392857
0.99286362 0.87013820 0.76328563
0.96483918 0.99037221 0.17695523
0.94574641 0.07801210 0.21794663
0.88737049 0.08204239 0.29490067
0.93263184 0.90333700 0.21700641
0.87123871 0.90623197 0.29020746
0.84479749 0.99432986 0.32538178
0.71267398 0.05141877 0.39698320
0.70957562 0.10364237 0.48580539
0.64882249 0.17975764 0.49401742
0.65101399 0.07029409 0.31883878
0.58752657 0.14181477 0.32976146
0.58860634 0.19825505 0.41505887
0.87890369 0.18204171 0.33524642
0.76307237 0.07574295 0.56706844
0.84624970 0.47163929 0.09174599
0.85552396 0.57498657 0.13173894
0.92130195 0.59888978 0.04900484
0.89768664 0.49984061 0.00469644
0.77125417 0.40345656 0.06572112
0.81851371 0.49652407 0.92436517
0.91437687 0.58257255 0.22680931
0.01504880 0.59414799 0.10006257
0.67898966 0.39210364 0.90339895
0.59467962 0.34396854 0.94275735
0.54446524 0.28004636 0.86544593
0.67265057 0.42050990 0.80211362
0.60646575 0.38292935 0.73617412
0.53625969 0.31573564 0.76501701
0.38343191 0.26681365 0.68543257
0.34654358 0.21450651 0.60368863
0.25235797 0.21733108 0.57737180
0.32399595 0.30665486 0.74838175
0.23079446 0.30918480 0.72030576
0.19456803 0.26915048 0.63246853
0.51426797 0.19107219 0.88942216
0.39968179 0.14201374 0.55387775
0.75368824 0.83978583 0.73136834
0.66607203 0.85240328 0.79344643
0.60907194 0.85503153 0.69453388
0.69050426 0.82665702 0.63775106
0.80354086 0.74803493 0.74252014
0.69324012 0.72338053 0.61110002
0.65863395 0.95343918 0.83556674
0.59991938 0.96075591 0.67571673
0.80641266 0.59713801 0.64420734
0.89505374 0.57883253 0.68036079
0.92145619 0.48293225 0.69961425
0.75429673 0.52306673 0.59451870
0.78250187 0.42940859 0.60628850
0.85480463 0.40520355 0.67313126
0.84798951 0.26638274 0.79073957
0.93137862 0.24043828 0.83650282
0.93262465 0.19949321 0.93043154
0.76548554 0.23382237 0.82858734
0.76684304 0.18316840 0.91739552
0.85000927 0.17068372 0.97160762
0.00717803 0.49408472 0.75606231
0.01141355 0.24160873 0.77376941
0.55289701 0.44182740 0.95669216
0.47825203 0.43025821 0.12223600
0.54703406 0.51380048 0.12591024
0.58365753 0.52733246 0.02029124
0.49806772 0.47799672 0.87738872
0.53827465 0.61351476 0.96651485
0.51275299 0.35170348 0.17468159
0.61983419 0.47931738 0.19856939
0.46783633 0.62987493 0.79145366
0.45623014 0.57942993 0.70284565
0.41605063 0.61857169 0.61812740
0.44671205 0.72687994 0.79206762
0.41110133 0.76861953 0.70546016
0.39252328 0.71500529 0.61980193
0.27513642 0.72945349 0.49376968
0.26223896 0.74964470 0.39367677
0.17610481 0.72749087 0.34611770
0.20516410 0.68480888 0.54551099
0.12034848 0.66119277 0.49698200
0.10520098 0.68376411 0.39789378
0.39923703 0.54611609 0.53625343
0.34031856 0.79729519 0.34105637
0.21259530 0.39687491 0.18391172
0.30025425 0.34498104 0.22267480
0.29164196 0.27797935 0.13347969
0.20046743 0.32793009 0.09632111
0.24393611 0.49276180 0.14236973
0.21295003 0.39082517 0.00762946
0.29242875 0.28050735 0.31095208
0.28831899 0.17677940 0.17530879
0.25690275 0.56366127 0.97398908
0.25002263 0.65590919 0.01101934
0.23724523 0.73729828 0.95182417
0.26158616 0.55399204 0.87240611
0.25406282 0.63527670 0.81377762
0.23977823 0.72742650 0.84900476
0.25135919 0.88935343 0.77747146
0.21004098 0.95298293 0.70754931
0.21187058 0.05030314 0.73217494
0.31396739 0.92666078 0.84995102
0.31778188 0.02471319 0.87048851
0.26108202 0.08572558 0.81570881
0.21567648 0.82034008 0.01569725
0.18644210 0.92987309 0.60142906
0.13054410 0.08266749 0.91227597
0.89513941 0.08690601 0.77792738
0.89332610 0.91381629 0.86616167
0.06848356 0.90180850 0.90283918
0.97736854 0.14385102 0.18946551
0.95225388 0.83564947 0.18663805
0.84003983 0.84025166 0.31981366
0.64324880 0.20987563 0.56730786
0.65214045 0.02974711 0.25088024
0.53643570 0.15621312 0.27031683
0.53619177 0.25140138 0.42162345
0.01320138 0.87129965 0.61375289
0.74115244 0.50735168 0.26761018
0.79179206 0.61444392 0.13323236
0.91087426 0.66184798 0.00103469
0.95458065 0.45651324 0.98364109
0.61010059 0.30450651 0.01095788
0.72483560 0.47142960 0.77701972
0.60468351 0.40475624 0.65941608
0.22443437 0.17517172 0.51487569
0.34881418 0.33664254 0.81817697
0.18794142 0.34085640 0.77230036
0.12127149 0.27114196 0.61094149
0.06138575 0.59136202 0.25023213
0.80320878 0.90167330 0.73552198
0.65375488 0.79594472 0.84816844
0.54400190 0.81417536 0.68154133
0.70206818 0.86897764 0.57136236
0.93908845 0.63816363 0.71045923
0.68950481 0.53915274 0.55466158
0.73930224 0.36981548 0.57544912
0.99890535 0.18718215 0.96847859
0.70058578 0.23784245 0.78407527
0.70287601 0.15101844 0.94351715
0.84998554 0.13395963 0.04257836
0.62364678 0.09218347 0.74921606
0.43822581 0.35732598 0.99209897
0.40783753 0.43602192 0.09315259
0.52224584 0.58318660 0.14994750
0.65841198 0.54627149 0.02028125
0.47406209 0.50525144 0.69877041
0.45908537 0.76832182 0.85927715
0.39633906 0.84486727 0.70329431
0.16578808 0.74522232 0.26847801
0.21350960 0.67806561 0.62476175
0.06420113 0.62930536 0.53788723
0.03625462 0.66956044 0.36367688
0.65047591 0.34540002 0.25563223
0.15682329 0.40455785 0.23361941
0.36161821 0.39318234 0.23472692
0.34567046 0.28054799 0.08189325
0.13927464 0.27963083 0.08562831
0.24854898 0.66422492 0.08979452
0.27027958 0.48530400 0.83783083
0.25943950 0.62822603 0.73527059
0.17461939 0.09872481 0.68278677
0.35230141 0.87743134 0.89778572
0.36072535 0.05108834 0.93340658
0.25756946 0.16131592 0.83464067
0.29264284 0.12790427 0.32279846
0.09770915 0.13414713 0.10477153
0.91341890 0.86644467 0.01734787
0.96210145 0.04705890 0.58668536
0.03465142 0.79892779 0.79155585
0.77933882 0.98520893 0.39468283
0.72942856 0.34106769 0.11333361
0.78303255 0.57117159 0.89107274
0.88715103 0.57317150 0.31010627
0.08724312 0.58047814 0.06190867
0.47855115 0.28619239 0.69123870
0.86052619 0.72658435 0.80721644
0.63786761 0.67777622 0.55605651
0.68120663 0.97896710 0.91974544
0.58431206 0.99427945 0.59321723
0.85012875 0.30952592 0.69692447
0.45332201 0.43037900 0.81243444
0.53633075 0.69555139 0.99774791
0.48816207 0.26643413 0.18812731
0.69057219 0.53638509 0.22697061
0.35831951 0.76156449 0.53780549
0.26849961 0.56337370 0.19135915
0.19547229 0.36775419 0.92247798
0.29336899 0.30726314 0.39606105
0.29322938 0.10065274 0.13175854
0.22680037 0.79296828 0.77265049
0.00913260 0.98878733 0.08932425
0.97896498 0.90077204 0.66842462
0.75225544 0.41906400 0.96218692
0.00535166 0.59575575 0.20148057
0.77269295 0.68796823 0.66042587
0.62276026 0.01166099 0.76039622
0.49970349 0.57974132 0.87657384
0.60267900 0.39022142 0.22440423
0.24757084 0.48367040 0.03889383
0.28684871 0.18587396 0.27707820
0.80190822 0.22709730 0.29688293
0.95267268 0.24116289 0.31335008
0.87601475 0.18428839 0.43478937
0.79494687 0.99003472 0.57691647
0.62261807 0.17931462 0.70667218
0.78386657 0.12929559 0.64263439
0.39017695 0.31460618 0.96191790
0.47187123 0.12980222 0.82673136
0.52346817 0.15315758 0.97872228
0.39468371 0.14939464 0.45283765
0.36463252 0.05143422 0.57332379
0.48913249 0.14391228 0.58359177
0.86022970 0.43281534 0.84890252
0.07090638 0.55387553 0.72202790
0.03148597 0.47024221 0.84556940
0.98890595 0.20441833 0.68339638
0.08201397 0.19111445 0.81399142
0.04733885 0.33249121 0.75399115
0.33553850 0.47673637 0.56282528
0.47927408 0.49902625 0.52144668
0.36967187 0.58057751 0.44782868
0.35418239 0.89265275 0.36627396
0.32228118 0.79459915 0.24257391
0.42326125 0.75545221 0.35887443
0.28849836 0.84594466 0.07865698
0.14215912 0.79572303 0.07210488
0.19175767 0.90183523 0.96844389
0.26435593 0.90991548 0.55648374
0.14790038 0.00434701 0.55067663
0.12768127 0.85052572 0.58195598
No title
1
14.494216 -0.326013 -0.444692
-0.321416 13.846621 0.032607
-0.444459 0.036127 13.597592
C H O N F
110 60 25 10 30
Direct configuration= 22
0.07850573 0.04380659 0.95323973
0.93025993 0.02245009 0.75934034
0.95184569 0.94534109 0.82695739
0.02438620 0.95879189 0.92289249
0.06776768 0.06451711 0.05399408
0.97523165 0.92761768 0.01328959
0.95763963 -0.00041303 0.66306110
0.99248766 0.86930884 0.76266355
0.96462581 0.98983590 0.17762707
0.94564984 0.07788586 0.21828517
0.88711058 0.08205988 0.29512487
0.93208729 0.90276060 0.21784496
0.87044351 0.90579645 0.29091764
0.84422699 0.99432795 0.32567100
0.71235419 0.05192603 0.39670363
0.70922631 0.10458752 0.48567404
0.64907929 0.18124853 0.49314411
0.65079235 0.07044828 0.31797910
0.58728688 0.14184324 0.32857175
0.58874917 0.19920438 0.41365194
0.87899240 0.18232275 0.33579943
0.76176896 0.07634537 0.56786917
0.84627227 0.47197776 0.09219256
0.85551265 0.57544088 0.13260181
0.92119463 0.59987838 0.04983749
0.89773557 0.50036430 0.00513526
0.77115857 0.40352538 0.06639106
0.81859960 0.49663404 0.92443164
0.91437934 0.58224442 0.22813365
0.01495495 0.59511457 0.10122404
0.67861319 0.39181400 0.90377028
0.59407856 0.34420249 0.94340157
0.54376563 0.27959517 0.86594476
0.67222531 0.42050341 0.80223287
0.60562395 0.38275638 0.73603467
0.53577264 0.31518381 0.76508635
0.38288259 0.26618930 0.68499214
0.34590798 0.21383255 0.60264252
0.25182632 0.21721418 0.57573976
0.32393758 0.30673887 0.74768304
0.23097402 0.31017221 0.71889372
0.19454243 0.26961026 0.63062464
0.51412962 0.18998764 0.88933938
0.39954833 0.14175764 0.55294906
0.75310765 0.83964945 0.73091470
0.66577045 0.85190885 0.79319454
0.60849117 0.85412237 0.69397066
0.68985343 0.82626082 0.63694412
0.80359524 0.74801392 0.74172881
0.69299340 0.72291777 0.60915142
0.65860698 0.95330058 0.83529159
0.59910811 0.96011065 0.67509808
0.80660565 0.59710628 0.64284664
0.89549182 0.57943060 0.67884351
0.92171086 0.48336903 0.69800907
0.75418922 0.52254161 0.59347614
0.78214351 0.42864559 0.60542295
0.85528940 0.40503203 0.67176784
0.85024757 0.26642202 0.78998090
0.93335228 0.24041503 0.83628136
0.93445893 0.19965336 0.93079757
0.76750123 0.23433227 0.82763064
0.76874500 0.18422269 0.91723923
0.85158279 0.17154092 0.97188091
0.00734284 0.49435116 0.75524421
0.01314832 0.24156944 0.77347901
0.55261978 0.44227348 0.95756872
0.47737992 0.43136889 0.12324825
0.54645772 0.51505753 0.12721834
0.58368875 0.52804668 0.02156284
0.49825982 0.47866998 0.87789316
0.53939681 0.61469641 0.96714481
0.51167967 0.35259501 0.17567346
0.61913064 0.48052302 0.20034618
0.46854811 0.63068183 0.79161796
0.45769626 0.57981845 0.70271741
0.41695253 0.61816374 0.61754005
0.44650946 0.72757599 0.79225654
0.41071888 0.76870520 0.70518983
0.39270200 0.71455853 0.61925123
0.27509017 0.72911540 0.49315314
0.26182637 0.75006183 0.39286419
0.17545946 0.72790041 0.34535383
0.20558716 0.68376512 0.54493200
0.12027290 0.66098368 0.49661940
0.10453350 0.68440906 0.39745865
0.40019338 0.54522093 0.53527610
0.34033091 0.79764473 0.34074439
0.21264705 0.39675508 0.18488759
0.29991863 0.34456159 0.22370987
0.29098162 0.27751458 0.13398330
0.19983018 0.32755980 0.09698465
0.24417093 0.49266859 0.14338266
0.21199681 0.39070356 0.00843639
0.29110248 0.28005771 0.31191945
0.28787814 0.17586458 0.17578664
0.25649002 0.56357468 0.97454300
0.24974066 0.65620229 0.01097421
0.23702870 0.73723705 0.95102920
0.26139120 0.55304063 0.87274009
0.25424660 0.63397084 0.81326485
0.23990696 0.72663210 0.84792505
0.25169117 0.88930054 0.77794085
0.21019496 0.95319741 0.70826037
0.21238754 0.05070251 0.73279784
0.31415505 0.92681884 0.85113271
0.31797884 0.02506310 0.87196493
0.26178691 0.08635165 0.81694695
0.21669840 0.82071477 0.01535001
0.18595221 0.92952754 0.60194221
0.13014226 0.08214744 0.91231780
0.89470035 0.08611037 0.77716736
0.89298464 0.91348550 0.86581281
0.06759360 0.89964497 0.90254360
0.97745684 0.14385077 0.18993602
0.95178222 0.83474907 0.18802570
0.83942212 0.83972739 0.32081111
0.64385446 0.21236122 0.56619915
0.65194143 0.02981492 0.24979515
0.53581976 0.15543918 0.26896851
0.53668347 0.25263583 0.41978226
0.01193083 0.87020672 0.61260364
0.74102569 0.50835423 0.26908357
0.79172871 0.61458680 0.13428633
0.91064651 0.66289358 0.00173496
0.95484479 0.45727840 0.98451360
0.60936302 0.30499287 0.01208746
0.72432731 0.47159097 0.77714406
0.60322831 0.40488357 0.65919118
0.22359182 0.17584638 0.51232554
0.34923366 0.33694017 0.81767169
0.18839304 0.34310903 0.77034355
0.12137875 0.27194792 0.60871198
0.06133666 0.59026530 0.25183239
0.80232939 0.90207789 0.73528978
0.65378677 0.79532627 0.84816508
0.54357382 0.81281241 0.68098074
0.70149921 0.86880711 0.57064655
0.93980361 0.63911740 0.70873227
0.68945024 0.53880571 0.55339830
0.73850162 0.36891376 0.57460733
1.00050680 0.18749888 0.96941785
0.70274920 0.23825115 0.78295984
0.70432847 0.15286595 0.94346574
0.85118203 0.13533545 0.04331413
0.62360580 0.09221632 0.74869433
0.43875859 0.35886419 0.99409206
0.40716693 0.43673411 0.09328271
0.52185132 0.58478220 0.15107574
0.65859632 0.54649962 0.02228869
0.47652770 0.50586892 0.69906978
0.45859450 0.76942694 0.85966709
0.39538105 0.84488720 0.70237974
0.16494776 0.74481889 0.26723877
0.21501489 0.67559744 0.62423318
0.06429691 0.62874644 0.53763402
0.03538807 0.67056032 0.36349232
0.64939449 0.34617327 0.25707953
0.15719885 0.40416613 0.23529057
0.36144583 0.39292875 0.23641689
0.34453819 0.28019505 0.08188601
0.13866990 0.27897073 0.08584882
0.24856146 0.66550585 0.08983814
0.26994501 0.48365090 0.83915979
0.26033193 0.62576082 0.73470822
0.17564337 0.09927754 0.68307487
0.35268538 0.87771844 0.89910718
0.36092323 0.05163589 0.93537905
0.25875107 0.16213048 0.83577338
0.29125365 0.12703719 0.32372994
0.09775388 0.13367485 0.10527604
0.91363609 0.86459117 0.01780078
0.96135817 0.04617457 0.58538021
0.03505374 0.79865220 0.79093124
0.77879732 0.98560345 0.39499956
0.72868532 0.34197420 0.11456649
0.78256872 0.57161320 0.89182507
0.88725241 0.57177790 0.31143889
0.08710474 0.58188618 0.06320546
0.47796977 0.28533471 0.69115640
0.86097732 0.72697960 0.80572298
0.63859144 0.67759352 0.55260606
0.68133747 0.97929027 0.91971402
0.58258896 0.99356491 0.59237461
0.85296896 0.30904109 0.69556471
0.45345890 0.43074204 0.81222383
0.53854239 0.69715579 0.99807077
0.48685471 0.26701509 0.18872760
0.69022021 0.53756393 0.22889278
0.35848320 0.76116753 0.53716910
0.26996038 0.56371932 0.19250304
0.19360778 0.36756385 0.92256073
0.29085716 0.30702670 0.39708284
0.29355303 0.09989312 0.13246076
0.22781055 0.79239387 0.77157842
0.00937342 0.98771579 0.09007328
0.97795709 0.89955420 0.66726917
0.75246667 0.41835821 0.96230446
0.00535607 0.59568928 0.20299614
0.77237836 0.68781383 0.65912007
0.62282330 0.01145576 0.75976274
0.50035017 0.58060333 0.87703713
0.60163673 0.39121021 0.22589204
0.24703372 0.48366044 0.03963678
0.28565406 0.18520237 0.27794870
0.80159627 0.22705209 0.29800345
0.95232482 0.24202943 0.31346436
0.87703358 0.18433008 0.43571661
0.79302497 0.99022896 0.57807216
0.62227048 0.17985578 0.70710110
0.78201736 0.12956136 0.64420935
0.39077021 0.31569512 0.96305810
0.47301432 0.12802083 0.82584002
0.52287667 0.15191648 0.97887421
0.39381292 0.14849618 0.45156817
0.36594967 0.05046878 0.57323830
0.48926708 0.14545414 0.58221509
0.85965795 0.43419019 0.84788181
0.07185000 0.55323784 0.72148254
0.03052053 0.47072094 0.84539550
0.99057668 0.20197347 0.68351991
0.08477431 0.19318586 0.81453185
0.04729940 0.33313602 0.75128602
0.33548748 0.47611139 0.56090615
0.47972356 0.49728619 0.52152833
0.37171571 0.58008100 0.44635418
0.35490554 0.89325155 0.36610833
0.32275867 0.79484868 0.24190452
0.42294464 0.75539963 0.35931844
0.29071690 0.84625959 0.07717713
0.14426539 0.79556075 0.07343998
0.19165035 0.90246318 0.96917494
0.26362585 0.91008439 0.55652955
0.14665524 0.00368091 0.55112434
0.12754952 0.84942051 0.58295616
No title
1
14.489055 -0.310323 -0.431091
-0.305556 13.870129 0.038929
-0.430567 0.042147 13.623630
C H O N F
110 60 25 10 30
Direct configuration= 23
0.07825075 0.04459990 0.95304165
0.93023568 0.02260625 0.75967090
0.95198379 0.94582227 0.82722535
0.02426232 0.95973863 0.92269115
0.06747620 0.06481336 0.05333719
0.97503711 0.92856879 0.01295579
0.95792033 0.00017834 0.66349892
0.99274267 0.86983756 0.76307951
0.96475859 0.99014740 0.17722372
0.94572508 0.07791825 0.21807516
0.88728354 0.08204556 0.29496975
0.93246119 0.90318484 0.21732833
0.87097461 0.90605764 0.29048299
0.84459021 0.99430826 0.32552858
0.71253143 0.05159469 0.39683175
0.70943729 0.10395391 0.48568733
0.64886464 0.18036908 0.49376595
0.65096488 0.07033224 0.31858422
0.58741862 0.14184958 0.32929906
0.58861553 0.19861201 0.41449904
0.87899240 0.18221401 0.33549641
0.76267054 0.07584681 0.56736673
0.84623821 0.47170791 0.09193062
0.85550955 0.57516452 0.13202836
0.92125208 0.59926700 0.04939743
0.89766326 0.50000470 0.00487676
0.77120572 0.40354906 0.06595654
0.81849952 0.49661739 0.92439542
0.91438245 0.58243899 0.22718316
0.01505555 0.59444089 0.10044318
0.67877723 0.39199044 0.90360582
0.59455150 0.34406563 0.94303905
0.54419475 0.27984976 0.86566280
0.67252390 0.42055154 0.80211238
0.60611078 0.38277822 0.73625527
0.53611422 0.31563530 0.76497199
0.38325832 0.26662060 0.68531346
0.34629156 0.21435416 0.60338751
0.25215589 0.21724709 0.57677416
0.32396911 0.30667901 0.74811024
0.23086884 0.30953557 0.71978262
0.19457105 0.26932616 0.63178434
0.51420989 0.19066379 0.88942602
0.39972800 0.14189643 0.55345775
0.75346957 0.83976124 0.73114493
0.66593291 0.85222758 0.79337009
0.60889938 0.85466299 0.69437143
0.69031408 0.82650251 0.63742070
0.80356349 0.74799038 0.74224310
0.69319835 0.72322993 0.61039774
0.65863821 0.95333958 0.83543406
0.59958562 0.96058977 0.67542983
0.80646809 0.59708826 0.64368100
0.89520337 0.57906764 0.67977954
0.92156785 0.48306302 0.69904753
0.75429704 0.52292762 0.59419215
0.78247655 0.42914667 0.60602860
0.85496446 0.40503557 0.67265531
0.84876221 0.26646969 0.79034089
0.93195256 0.24049418 0.83648181
0.93326582 0.19957977 0.93057310
0.76626032 0.23407414 0.82817075
0.76758469 0.18356225 0.91732641
0.85068840 0.17103162 0.97168339
0.00731314 0.49418453 0.75578628
0.01222585 0.24166324 0.77375136
0.55285290 0.44202725 0.95697205
0.47806458 0.43058966 0.12269167
0.54687671 0.51426698 0.12625982
0.58372579 0.52753476 0.02084940
0.49809412 0.47815059 0.87748247
0.53868018 0.61395489 0.96670641
0.51233411 0.35198430 0.17504101
0.61963141 0.47979271 0.19920544
0.46811483 0.63009991 0.79152981
0.45677223 0.57956248 0.70278461
0.41639428 0.61850599 0.61800532
0.44663063 0.72711828 0.79211227
0.41095831 0.76865415 0.70531918
0.39259339 0.71490412 0.61964573
0.27516258 0.72930258 0.49355132
0.26210487 0.74971171 0.39342265
0.17589135 0.72763673 0.34584575
0.20531559 0.68440150 0.54528582
0.12034634 0.66108533 0.49681761
0.10497386 0.68397133 0.39773252
0.39982321 0.54576177 0.53577738
0.34029920 0.79746764 0.34083800
0.21262339 0.39694018 0.18428496
0.30012342 0.34480789 0.22326660
0.29131610 0.27775596 0.13359847
0.20025323 0.32779527 0.09647157
0.24402217 0.49276960 0.14272586
0.21254334 0.39066933 0.00783193
0.29194893 0.28034692 0.31113866
0.28818126 0.17637791 0.17542739
0.25676501 0.56367328 0.97421069
0.24994321 0.65594286 0.01104964
0.23717982 0.73720138 0.95163229
0.26151584 0.55373768 0.87252597
0.25414321 0.63490451 0.81361662
0.23988405 0.72719341 0.84873426
0.25152178 0.88929482 0.77765964
0.21011827 0.95307163 0.70780842
0.21205772 0.05052295 0.73238093
0.31404998 0.92673719 0.85032782
0.31786458 0.02486775 0.87100092
0.26134340 0.08597860 0.81616465
0.21650966 0.82065791 0.01542071
0.18627859 0.92975009 0.60150480
0.13044407 0.08249411 0.91225396
0.89494061 0.08678606 0.77771023
0.89319254 0.91361544 0.86600196
0.06821092 0.90107915 0.90277828
0.97741606 0.14382501 0.18963251
0.95208873 0.83525861 0.18711180
0.83979679 0.84013792 0.32014166
0.64342952 0.21075797 0.56688694
0.65208890 0.02970349 0.25052187
0.53625971 0.15596119 0.26985852
0.53634547 0.25185972 0.42095669
0.01274937 0.87088717 0.61333198
0.74104177 0.50775489 0.26813992
0.79177726 0.61453483 0.13364296
0.91080703 0.66220451 0.00135458
0.95467528 0.45675230 0.98389389
0.60985345 0.30461406 0.01132465
0.72462266 0.47144244 0.77707955
0.60419504 0.40478441 0.65931604
0.22418099 0.17534781 0.51405741
0.34889586 0.33673149 0.81796327
0.18802516 0.34166605 0.77161019
0.12130133 0.27150704 0.61009773
0.06135522 0.59098580 0.25082454
0.80292010 0.90178581 0.73541115
0.65373146 0.79575612 0.84813003
0.54383126 0.81366822 0.68129088
0.70177353 0.86897406 0.57105939
0.93930602 0.63844862 0.70977912
0.68942194 0.53893208 0.55421772
0.73907762 0.36940112 0.57517194
0.99947972 0.18732369 0.96874403
0.70132574 0.23801923 0.78366483
0.70334070 0.15163049 0.94352139
0.85046138 0.13452091 0.04274998
0.62361366 0.09216219 0.74905897
0.43840518 0.35785161 0.99278672
0.40751164 0.43638619 0.09325640
0.52211686 0.58379577 0.15036232
0.65849761 0.54638457 0.02103027
0.47498446 0.50549315 0.69880138
0.45888168 0.76870226 0.85941342
0.39601346 0.84485647 0.70300468
0.16547617 0.74520442 0.26805172
0.21399979 0.67718781 0.62451560
0.06423752 0.62910930 0.53776904
0.03597969 0.66998055 0.36362198
0.65006336 0.34568818 0.25618360
0.15691470 0.40448097 0.23422047
0.36157097 0.39305193 0.23531516
0.34534636 0.28043531 0.08187850
0.13900830 0.27941458 0.08583695
0.24853386 0.66456465 0.08979664
0.27020049 0.48467934 0.83818891
0.25973335 0.62742663 0.73510458
0.17498303 0.09892024 0.68295135
0.35242682 0.87746691 0.89827230
0.36078534 0.05124674 0.93413239
0.25797954 0.16153843 0.83506177
0.29211087 0.12756683 0.32311846
0.09778867 0.13402699 0.10507857
0.91353858 0.86575496 0.01751479
0.96170918 0.04664771 0.58625024
0.03481941 0.79879364 0.79128354
0.77916554 0.98532527 0.39481626
0.72915512 0.34143207 0.11376384
0.78283881 0.57141970 0.89137530
0.88713188 0.57265675 0.31073783
0.08720143 0.58102709 0.06239401
0.47828702 0.28590864 0.69120011
0.86061953 0.72668074 0.80676701
0.63818544 0.67771473 0.55486911
0.68127245 0.97908551 0.91972606
0.58368253 0.99401366 0.59289955
0.85110643 0.30936118 0.69656141
0.45339266 0.43056850 0.81245565
0.53714877 0.69614170 0.99787941
0.48773738 0.26676135 0.18837635
0.69044694 0.53677292 0.22767460
0.35834654 0.76141207 0.53753729
0.26895012 0.56340259 0.19171045
0.19483438 0.36765507 0.92262022
0.29246697 0.30718134 0.39643022
0.29330410 0.10042479 0.13200393
0.22715898 0.79274956 0.77231760
0.00919347 0.98838961 0.08957033
0.97860896 0.90024795 0.66801547
0.75229136 0.41887258 0.96231867
0.00535146 0.59569591 0.20204619
0.77257709 0.68788644 0.65984057
0.62276764 0.01157353 0.76018904
0.49993952 0.58006657 0.87671101
0.60232971 0.39054977 0.22497561
0.24736206 0.48359527 0.03922131
0.28638902 0.18569446 0.27744476
0.80173586 0.22713183 0.29729206
0.95253972 0.24141580 0.31335837
0.87635558 0.18430032 0.43513903
0.79422331 0.99018113 0.57724299
0.62251128 0.17952519 0.70682866
0.78319898 0.12949956 0.64318425
0.39032531 0.31499765 0.96227038
0.47227437 0.12922535 0.82644974
0.52330197 0.15275595 0.97877790
0.39432138 0.14906066 0.45228213
0.36506044 0.05099396 0.57331787
0.48923378 0.14444707 0.58303234
0.86001076 0.43329961 0.84856074
0.07116122 0.55364957 0.72181757
0.03117302 0.47037800 0.84541860
0.98957674 0.20347863 0.68334678
0.08301810 0.19191016 0.81427148
0.04737301 0.33273791 0.75300350
0.33544065 0.47653712 0.56224224
0.47936117 0.49849976 0.52153371
0.37039290 0.58046482 0.44730341
0.35434629 0.89284534 0.36624925
0.32239035 0.79467608 0.24229019
0.42321122 0.75538284 0.35897479
0.28918204 0.84607152 0.07803012
0.14272733 0.79565165 0.07280945
0.19172029 0.90195933 0.96868079
0.26409586 0.90993182 0.55646348
0.14746202 0.00410316 0.55086716
0.12760020 0.85010168 0.58238906
No title
1
14.492616 -0.318318 -0.438840
-0.313744 13.856111 0.034401
-0.438561 0.037780 13.607415
C H O N F
110 60 25 10 30
Direct configuration= 24
0.07833111 0.04408480 0.95317544
0.93021912 0.02248379 0.75940052
0.95190382 0.94543414 0.82709838
0.02428892 0.95911381 0.92281740
0.06758776 0.06450225 0.05369928
0.97509516 0.92790068 0.01316116
0.95764990 -0.00029672 0.66314233
0.99261406 0.86946544 0.76271739
0.96468498 0.98988668 0.17748649
0.94566542 0.07782601 0.21825828
0.88718093 0.08209665 0.29508275
0.93222469 0.90288598 0.21771885
0.87068253 0.90593859 0.29076517
0.84436460 0.99429009 0.32566032
0.71237978 0.05183722 0.39674541
0.70930031 0.10436390 0.48567266
0.64893571 0.18100041 0.49328724
0.65086962 0.07038907 0.31820965
0.58732882 0.14187046 0.32878544
0.58871344 0.19901737 0.41392619
0.87897075 0.18229144 0.33572949
0.76205894 0.07614456 0.56761772
0.84625724 0.47188097 0.09213344
0.85549567 0.57534455 0.13245125
0.92120360 0.59962547 0.04975832
0.89767835 0.50025456 0.00508804
0.77115119 0.40362773 0.06623180
0.81846549 0.49676803 0.92441719
0.91437993 0.58226809 0.22787778
0.01499860 0.59485769 0.10102900
0.67864568 0.39192756 0.90373603
0.59425710 0.34407025 0.94337434
0.54389802 0.27970889 0.86580504
0.67225184 0.42048060 0.80217574
0.60584562 0.38277495 0.73623155
0.53583934 0.31531177 0.76510592
0.38300917 0.26630758 0.68503622
0.34605115 0.21404885 0.60293999
0.25199573 0.21717978 0.57608869
0.32388073 0.30673239 0.74781713
0.23087159 0.30995493 0.71911241
0.19457650 0.26959492 0.63107422
0.51418840 0.19025119 0.88944274
0.39965979 0.14173710 0.55305641
0.75324776 0.83967856 0.73092111
0.66579931 0.85197405 0.79324623
0.60866307 0.85434391 0.69408609
0.69001556 0.82631299 0.63708683
0.80359522 0.74794921 0.74190464
0.69312707 0.72304841 0.60952404
0.65861622 0.95332764 0.83531542
0.59923126 0.96025710 0.67519390
0.80653991 0.59706181 0.64305077
0.89539028 0.57925791 0.67909918
0.92172521 0.48324299 0.69838501
0.75423454 0.52262196 0.59372422
0.78234118 0.42877400 0.60566946
0.85520041 0.40500760 0.67206627
0.84973910 0.26648345 0.79004739
0.93287249 0.24049927 0.83642854
0.93408773 0.19974023 0.93060574
0.76720399 0.23424452 0.82788912
0.76829153 0.18404275 0.91716780
0.85136369 0.17145172 0.97173388
0.00724617 0.49421421 0.75540401
0.01293169 0.24164422 0.77350965
0.55275011 0.44224668 0.95731773
0.47767382 0.43111306 0.12310294
0.54662801 0.51485030 0.12689298
0.58376154 0.52787685 0.02134102
0.49819870 0.47842565 0.87772194
0.53919303 0.61442313 0.96699770
0.51189458 0.35240970 0.17549458
0.61928480 0.48024322 0.19995507
0.46842295 0.63048034 0.79159719
0.45740535 0.57978571 0.70269947
0.41681463 0.61829598 0.61771439
0.44654737 0.72739095 0.79219990
0.41079841 0.76865573 0.70519941
0.39269166 0.71469273 0.61945190
0.27515097 0.72913777 0.49321728
0.26192761 0.74984467 0.39309792
0.17561452 0.72781884 0.34548536
0.20548606 0.68392498 0.54497717
0.12031063 0.66096232 0.49665929
0.10477554 0.68426387 0.39756565
0.40009770 0.54547498 0.53547493
0.34034481 0.79757896 0.34070441
0.21250111 0.39683817 0.18483631
0.30002021 0.34469816 0.22355601
0.29107208 0.27754664 0.13385796
0.19996980 0.32765076 0.09680791
0.24412107 0.49266076 0.14307850
0.21214584 0.39064370 0.00829322
0.29133788 0.28010040 0.31166233
0.28795506 0.17608894 0.17572714
0.25658267 0.56353153 0.97439262
0.24982748 0.65605568 0.01102218
0.23714823 0.73718865 0.95125560
0.26143878 0.55331064 0.87270930
0.25423598 0.63435255 0.81342232
0.23996966 0.72683404 0.84837326
0.25166975 0.88929493 0.77783672
0.21021249 0.95312319 0.70808195
0.21235170 0.05071858 0.73275196
0.31415426 0.92678631 0.85084127
0.31800247 0.02500283 0.87168794
0.26159695 0.08617746 0.81659753
0.21670352 0.82068933 0.01537932
0.18606818 0.92958525 0.60177972
0.13021655 0.08221528 0.91230984
0.89481675 0.08637233 0.77737633
0.89308903 0.91344580 0.86578965
0.06783722 0.90017483 0.90269018
0.97746503 0.14379805 0.18983827
0.95187186 0.83488588 0.18772625
0.83949651 0.83991901 0.32057330
0.64366401 0.21185300 0.56640896
0.65201310 0.02969927 0.25008769
0.53601324 0.15564212 0.26927272
0.53653451 0.25241579 0.42013572
0.01222939 0.87035326 0.61278135
0.74101518 0.50817980 0.26884925
0.79176145 0.61461966 0.13412235
0.91071616 0.66265551 0.00171202
0.95476031 0.45708502 0.98424584
0.60954277 0.30480997 0.01176826
0.72439089 0.47149367 0.77713802
0.60358228 0.40480851 0.65926127
0.22383895 0.17558176 0.51298458
0.34903984 0.33685974 0.81774090
0.18822275 0.34262190 0.77070554
0.12134854 0.27191272 0.60909405
0.06131930 0.59051682 0.25153563
0.80254083 0.90192693 0.73528687
0.65372849 0.79551648 0.84809720
0.54364836 0.81306071 0.68102206
0.70146277 0.86893641 0.57071417
0.93959821 0.63883862 0.70898166
0.68941298 0.53871181 0.55371056
0.73881238 0.36901419 0.57484949
1.00020209 0.18748215 0.96911487
0.70222355 0.23822058 0.78315259
0.70409271 0.15247735 0.94345794
0.85102184 0.13513507 0.04307646
0.62358738 0.09215138 0.74885948
0.43851707 0.35841000 0.99357498
0.40724694 0.43676025 0.09339459
0.52197998 0.58443800 0.15082575
0.65857317 0.54649583 0.02193060
0.47609600 0.50576210 0.69887941
0.45863966 0.76914536 0.85953264
0.39560275 0.84488074 0.70263274
0.16510861 0.74510600 0.26757596
0.21462283 0.67610809 0.62425791
0.06431146 0.62888274 0.53761730
0.03558873 0.67045278 0.36353278
0.64956190 0.34604889 0.25683586
0.15714362 0.40435154 0.23485536
0.36144933 0.39286002 0.23604920
0.34484877 0.28029295 0.08192219
0.13872747 0.27915891 0.08602776
0.24852269 0.66505436 0.08987391
0.27006966 0.48404288 0.83873857
0.26010421 0.62641811 0.73489992
0.17541330 0.09918666 0.68309252
0.35256355 0.87759353 0.89882003
0.36083577 0.05144597 0.93496508
0.25848690 0.16191570 0.83558698
0.29147301 0.12724163 0.32349515
0.09779688 0.13373315 0.10529612
0.91366225 0.86493648 0.01771765
0.96129053 0.04623106 0.58565641
0.03500048 0.79865789 0.79099895
0.77893158 0.98549568 0.39495721
0.72881425 0.34184054 0.11431191
0.78266313 0.57155716 0.89176923
0.88719068 0.57205881 0.31121289
0.08717263 0.58165674 0.06294370
0.47805710 0.28557683 0.69117983
0.86069651 0.72683752 0.80607714
0.63852095 0.67763981 0.55338004
0.68133044 0.97919288 0.91963403
0.58292307 0.99369988 0.59253795
0.85232385 0.30920414 0.69593100
0.45345568 0.43076947 0.81242715
0.53812604 0.69683146 0.99800253
0.48717715 0.26702757 0.18867757
0.69023803 0.53733070 0.22846678
0.35840443 0.76123452 0.53724027
0.26957081 0.56359390 0.19223223
0.19400454 0.36751560 0.92257607
0.29137482 0.30708098 0.39684025
0.29343390 0.10002560 0.13227633
0.22761981 0.79256634 0.77190723
0.00925579 0.98792110 0.08992016
0.97809917 0.89978246 0.66761777
0.75235376 0.41862969 0.96238500
0.00529459 0.59562421 0.20267386
0.77251056 0.68787672 0.65931503
0.62278147 0.01143961 0.75988315
0.50023458 0.58044653 0.87691637
0.60191910 0.39102255 0.22564563
0.24711405 0.48359862 0.03949368
0.28585752 0.18530529 0.27772162
0.80163257 0.22712423 0.29783028
0.95239151 0.24177970 0.31339729
0.87679526 0.18433733 0.43552060
0.79337663 0.99029546 0.57772284
0.62236941 0.17976521 0.70702026
0.78238761 0.12963522 0.64381805
0.39065505 0.31557937 0.96280261
0.47275030 0.12846123 0.82607454
0.52306514 0.15223039 0.97883467
0.39392618 0.14863466 0.45175424
0.36568634 0.05066687 0.57324926
0.48924427 0.14509214 0.58233526
0.85973622 0.43391828 0.84814881
0.07161438 0.55345363 0.72153769
0.03079012 0.47056631 0.84529875
0.99044225 0.20247050 0.68358181
0.08423805 0.19287548 0.81455666
0.04737684 0.33295438 0.75181037
0.33550038 0.47639169 0.56141089
0.47964030 0.49771054 0.52154972
0.37132237 0.58024788 0.44667970
0.35459620 0.89305186 0.36616717
0.32257304 0.79479616 0.24199045
0.42301474 0.75539472 0.35908390
0.29026474 0.84629648 0.07743532
0.14384165 0.79567791 0.07330347
0.19170358 0.90220849 0.96894602
0.26375212 0.90997380 0.55644929
0.14692066 0.00379503 0.55106354
0.12756532 0.84964970 0.58286875
No title
1
14.492840 -0.318170 -0.438724
-0.313626 13.855721 0.034061
-0.438471 0.037444 13.607231
C H O N F
110 60 25 10 30
Direct configuration= 25
0.07832199 0.04406521 0.95317221
0.93020802 0.02247314 0.75941320
0.95191678 0.94543279 0.82706643
0.02427433 0.95908881 0.92281723
0.06759093 0.06450899 0.05374323
0.97511534 0.92789684 0.01317125
0.95761788 -0.00031677 0.66314187
0.99260787 0.86945469 0.76273753
0.96467797 0.98986948 0.17750959
0.94567520 0.07783746 0.21825862
0.88716454 0.08207409 0.29510131
0.93223524 0.90286788 0.21771837
0.87065983 0.90591630 0.29079772
0.84436483 0.99432115 0.32566824
0.71239097 0.05183271 0.39675141
0.70927041 0.10440294 0.48565851
0.64895661 0.18101151 0.49328564
0.65085218 0.07039398 0.31818055
0.58734171 0.14186738 0.32877533
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No title
1
14.494120 -0.318862 -0.440213
-0.314446 13.852215 0.032389
-0.440062 0.035792 13.603373
C H O N F
110 60 25 10 30
Direct configuration= 26
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0.37172572 0.58020881 0.44647932
0.35459019 0.89310228 0.36613976
0.32258790 0.79485182 0.24184544
0.42299344 0.75538248 0.35900863
0.29068281 0.84644361 0.07712982
0.14431108 0.79574185 0.07359632
0.19170657 0.90222904 0.96896584
0.26360745 0.90993989 0.55637905
0.14670191 0.00366438 0.55115837
0.12755568 0.84947158 0.58313718
No title
1
14.494637 -0.319219 -0.440599
-0.314828 13.851539 0.031943
-0.440492 0.035358 13.602031
C H O N F
110 60 25 10 30
Direct configuration= 27
0.07825363 0.04385028 0.95325574
0.93020737 0.02229551 0.75931886
0.95191928 0.94529895 0.82696610
0.02421905 0.95883547 0.92284380
0.06756811 0.06427468 0.05381305
0.97509670 0.92759141 0.01325051
0.95740654 -0.00052539 0.66293762
0.99256653 0.86928703 0.76257814
0.96464753 0.98974036 0.17764435
0.94565687 0.07776111 0.21835490
0.88712397 0.08208036 0.29516410
0.93215270 0.90274379 0.21791039
0.87056022 0.90586951 0.29094084
0.84428185 0.99433212 0.32576237
0.71231511 0.05192151 0.39669525
0.70917341 0.10459954 0.48560540
0.64894333 0.18131918 0.49309348
0.65084032 0.07039461 0.31806056
0.58730221 0.14190013 0.32854177
0.58871381 0.19924154 0.41360919
0.87897621 0.18235092 0.33584572
0.76177754 0.07634669 0.56773326
0.84623297 0.47196533 0.09224380
0.85548771 0.57541186 0.13269435
0.92119542 0.59978061 0.04999994
0.89767433 0.50035690 0.00519473
0.77108004 0.40372172 0.06637277
0.81841627 0.49685296 0.92451603
0.91434765 0.58214786 0.22815287
0.01495680 0.59500243 0.10130015
0.67851961 0.39192221 0.90386364
0.59414245 0.34411016 0.94346426
0.54376501 0.27963066 0.86596225
0.67213209 0.42045105 0.80226734
0.60564463 0.38269097 0.73625397
0.53574072 0.31523720 0.76512455
0.38290475 0.26619969 0.68493951
0.34598137 0.21388639 0.60271881
0.25191096 0.21713169 0.57579825
0.32382609 0.30675389 0.74765199
0.23088452 0.31017081 0.71879051
0.19455965 0.26970553 0.63063653
0.51416322 0.19006899 0.88942884
0.39962158 0.14168924 0.55281250
0.75312515 0.83962858 0.73076664
0.66574079 0.85189512 0.79310767
0.60851949 0.85412603 0.69393973
0.68989888 0.82627980 0.63684475
0.80347759 0.74796204 0.74159462
0.69319579 0.72302796 0.60912951
0.65860232 0.95326400 0.83520183
0.59903309 0.96011926 0.67502844
0.80658949 0.59701652 0.64271741
0.89545359 0.57930707 0.67871647
0.92176292 0.48328596 0.69805830
0.75421922 0.52244768 0.59352749
0.78233656 0.42860503 0.60551397
0.85536456 0.40497592 0.67184122
0.85017782 0.26653635 0.78990678
0.93333916 0.24061320 0.83630269
0.93446936 0.19987955 0.93062592
0.76756689 0.23439653 0.82762079
0.76875052 0.18429954 0.91709477
0.85172996 0.17169720 0.97173686
0.00735695 0.49428930 0.75517587
0.01336176 0.24169649 0.77353801
0.55282812 0.44233623 0.95749329
0.47751814 0.43140372 0.12330939
0.54654478 0.51505445 0.12712828
0.58379506 0.52802399 0.02157961
0.49825166 0.47860469 0.87782084
0.53945499 0.61465453 0.96710471
0.51170792 0.35265637 0.17574371
0.61918126 0.48052560 0.20030669
0.46859228 0.63059484 0.79160443
0.45776196 0.57985884 0.70268018
0.41704434 0.61828158 0.61761469
0.44649436 0.72750387 0.79219667
0.41072871 0.76868018 0.70515241
0.39271686 0.71463140 0.61930792
0.27516750 0.72898341 0.49306300
0.26190445 0.74985025 0.39287343
0.17552931 0.72790868 0.34535026
0.20560142 0.68366036 0.54481995
0.12034405 0.66087826 0.49649331
0.10465819 0.68437451 0.39744585
0.40034913 0.54537900 0.53530294
0.34026239 0.79758092 0.34058948
0.21257105 0.39682875 0.18494171
0.29987674 0.34452976 0.22377235
0.29094026 0.27746131 0.13397980
0.19979322 0.32757045 0.09704023
0.24414519 0.49267623 0.14332544
0.21189290 0.39053998 0.00834172
0.29103157 0.28000848 0.31179966
0.28783600 0.17595632 0.17580652
0.25649906 0.56346079 0.97448956
0.24979557 0.65602061 0.01108442
0.23720736 0.73714027 0.95125909
0.26141874 0.55313041 0.87275046
0.25431044 0.63413604 0.81339639
0.24007859 0.72674541 0.84824419
0.25180998 0.88931954 0.77795605
0.21031769 0.95319273 0.70820727
0.21248343 0.05076535 0.73284781
0.31421666 0.92679386 0.85102882
0.31805367 0.02505073 0.87194770
0.26178828 0.08628603 0.81688148
0.21699021 0.82076475 0.01539082
0.18598555 0.92950088 0.60191435
0.13007439 0.08203912 0.91234531
0.89479932 0.08623832 0.77725313
0.89303113 0.91324528 0.86563004
0.06771621 0.89981423 0.90272324
0.97749144 0.14368898 0.18995230
0.95176663 0.83466216 0.18800023
0.83932711 0.83990422 0.32074135
0.64370769 0.21236911 0.56613428
0.65200289 0.02961348 0.24995243
0.53593580 0.15553756 0.26898990
0.53659192 0.25269840 0.41971679
0.01194616 0.87007926 0.61255529
0.74090152 0.50844819 0.26919530
0.79176277 0.61470932 0.13440523
0.91069200 0.66283616 0.00200059
0.95474458 0.45722538 0.98433584
0.60942992 0.30480012 0.01198098
0.72424855 0.47147087 0.77717728
0.60334756 0.40476191 0.65930231
0.22375494 0.17559444 0.51262063
0.34900725 0.33691085 0.81759652
0.18822011 0.34308401 0.77027373
0.12141135 0.27221946 0.60856706
0.06126475 0.59031903 0.25189342
0.80239404 0.90194027 0.73517966
0.65368221 0.79541194 0.84805319
0.54361193 0.81279395 0.68084879
0.70119421 0.86895549 0.57053356
0.93969159 0.63895270 0.70850881
0.68936902 0.53846256 0.55351996
0.73882051 0.36876064 0.57476429
1.00055953 0.18761353 0.96917953
0.70269150 0.23834918 0.78294543
0.70443916 0.15284284 0.94342182
0.85136492 0.13552539 0.04310045
0.62355046 0.09207611 0.74880444
0.43862230 0.35871669 0.99398017
0.40713938 0.43707417 0.09360845
0.52194363 0.58477042 0.15104338
0.65864951 0.54658161 0.02239306
0.47668804 0.50593555 0.69881947
0.45848098 0.76932475 0.85957159
0.39543110 0.84487142 0.70251270
0.16492539 0.74524514 0.26740051
0.21485322 0.67559551 0.62406525
0.06434429 0.62876606 0.53751100
0.03547713 0.67077669 0.36351561
0.64933493 0.34622063 0.25723519
0.15712853 0.40440345 0.23521275
0.36141581 0.39271998 0.23638887
0.34465307 0.28022963 0.08198491
0.13855515 0.27908724 0.08629494
0.24848733 0.66512288 0.08991308
0.27004715 0.48381162 0.83888033
0.26024339 0.62608186 0.73486691
0.17560977 0.09932137 0.68324084
0.35259968 0.87760470 0.89906159
0.36084263 0.05149146 0.93538132
0.25869800 0.16202715 0.83586041
0.29110856 0.12705249 0.32365280
0.09781833 0.13350655 0.10545975
0.91374306 0.86448919 0.01781995
0.96090380 0.04591723 0.58537667
0.03511714 0.79852814 0.79080245
0.77882425 0.98557333 0.39503352
0.72864601 0.34209847 0.11455128
0.78251621 0.57176321 0.89199220
0.88717111 0.57176520 0.31153150
0.08717462 0.58200907 0.06322975
0.47792726 0.28546628 0.69118649
0.86072420 0.72678205 0.80595402
0.63871623 0.67758122 0.55267731
0.68138364 0.97924092 0.91953527
0.58254430 0.99353136 0.59238934
0.85287217 0.30911807 0.69568540
0.45345603 0.43089259 0.81247990
0.53862037 0.69712923 0.99804023
0.48694990 0.26723821 0.18889975
0.69015648 0.53755539 0.22886718
0.35843467 0.76110787 0.53712207
0.26977026 0.56354074 0.19235839
0.19365274 0.36741808 0.92274908
0.29085082 0.30699803 0.39700121
0.29345355 0.09982656 0.13237414
0.22785024 0.79248156 0.77185059
0.00923085 0.98767229 0.09001556
0.97787646 0.89946518 0.66735502
0.75231321 0.41863833 0.96245438
0.00528116 0.59551195 0.20301509
0.77252038 0.68781604 0.65894376
0.62275056 0.01139441 0.75972293
0.50040760 0.58061383 0.87702242
0.60167872 0.39124386 0.22597234
0.24696749 0.48351237 0.03961418
0.28556115 0.18520153 0.27789688
0.80155609 0.22717064 0.29813441
0.95230168 0.24188554 0.31339249
0.87698663 0.18437304 0.43571520
0.79295808 0.99036174 0.57788545
0.62231671 0.17988780 0.70712775
0.78199235 0.12975898 0.64399118
0.39062539 0.31578580 0.96292033
0.47297049 0.12820710 0.82599126
0.52302480 0.15203078 0.97888690
0.39367736 0.14838799 0.45144907
0.36598498 0.05046765 0.57321394
0.48931705 0.14536206 0.58187957
0.85956256 0.43423933 0.84800155
0.07168443 0.55334965 0.72140253
0.03066533 0.47057588 0.84516713
0.99098791 0.20190598 0.68365391
0.08486117 0.19342453 0.81483397
0.04743537 0.33308834 0.75119977
0.33551960 0.47644611 0.56111454
0.47976178 0.49740732 0.52159652
0.37180397 0.58020181 0.44643134
0.35458685 0.89310334 0.36613465
0.32258910 0.79486174 0.24182060
0.42297221 0.75538423 0.35899681
0.29077492 0.84647873 0.07708127
0.14439861 0.79575476 0.07365995
0.19170796 0.90223083 0.96897448
0.26357652 0.90993648 0.55637327
0.14666021 0.00363465 0.55118267
0.12756027 0.84943937 0.58319258
No title
1
14.495767 -0.319690 -0.441923
-0.315446 13.847853 0.029976
-0.441924 0.033413 13.598358
C H O N F
110 60 25 10 30
Direct configuration= 28
0.07821828 0.04368379 0.95322765
0.93014826 0.02230071 0.75921158
0.95190763 0.94509873 0.82697148
0.02416856 0.95863092 0.92286762
0.06758588 0.06423459 0.05404544
0.97512880 0.92741429 0.01328259
0.95724225 -0.00075827 0.66286866
0.99257777 0.86910559 0.76249729
0.96462885 0.98959864 0.17772703
0.94564962 0.07771071 0.21842531
0.88707908 0.08209060 0.29523625
0.93212615 0.90263184 0.21801100
0.87046717 0.90584104 0.29107340
0.84423402 0.99433891 0.32582275
0.71227761 0.05199753 0.39670766
0.70909950 0.10475392 0.48556572
0.64895222 0.18152322 0.49292287
0.65077155 0.07041472 0.31790821
0.58731447 0.14190122 0.32838818
0.58869449 0.19941280 0.41337509
0.87896219 0.18237949 0.33594342
0.76157131 0.07648808 0.56780354
0.84623439 0.47202362 0.09233244
0.85546720 0.57545424 0.13285921
0.92116565 0.59985615 0.05016634
0.89763347 0.50044739 0.00527814
0.77099846 0.40375293 0.06649766
0.81838425 0.49693203 0.92458351
0.91434842 0.58206816 0.22831868
0.01497060 0.59509983 0.10150555
0.67848012 0.39195225 0.90394934
0.59407122 0.34407122 0.94362077
0.54366037 0.27959067 0.86598397
0.67207180 0.42044957 0.80233910
0.60554454 0.38268004 0.73620755
0.53561336 0.31508665 0.76520645
0.38281125 0.26614848 0.68491059
0.34591029 0.21376639 0.60254959
0.25189406 0.21712374 0.57564895
0.32377464 0.30674120 0.74747054
0.23085492 0.31035232 0.71861241
0.19457685 0.26979101 0.63035047
0.51418416 0.19000340 0.88947379
0.39963241 0.14160271 0.55265584
0.75307034 0.83958626 0.73064449
0.66568222 0.85179369 0.79305268
0.60845854 0.85404261 0.69383436
0.68981471 0.82620573 0.63671398
0.80342726 0.74794463 0.74141832
0.69319142 0.72296218 0.60878195
0.65857033 0.95322960 0.83505053
0.59888680 0.96002495 0.67491795
0.80659429 0.59699866 0.64246863
0.89550673 0.57931749 0.67845373
0.92185760 0.48332911 0.69786902
0.75419384 0.52231906 0.59338197
0.78234485 0.42844714 0.60542330
0.85546580 0.40493973 0.67166921
0.85056807 0.26657466 0.78979029
0.93357410 0.24070176 0.83623848
0.93481031 0.19998409 0.93064077
0.76786548 0.23448063 0.82750945
0.76902212 0.18445043 0.91707669
0.85192934 0.17191780 0.97163628
0.00728208 0.49423816 0.75503886
0.01365912 0.24172462 0.77343476
0.55282215 0.44244065 0.95755323
0.47739676 0.43157434 0.12344056
0.54650276 0.51527982 0.12731986
0.58384369 0.52811933 0.02173399
0.49838609 0.47874685 0.87804066
0.53963847 0.61484333 0.96719740
0.51159228 0.35287903 0.17591339
0.61905585 0.48063911 0.20053981
0.46870346 0.63076391 0.79163867
0.45800344 0.57991555 0.70263521
0.41721346 0.61824343 0.61752940
0.44647219 0.72752477 0.79220154
0.41067633 0.76869707 0.70511287
0.39275721 0.71456761 0.61925841
0.27518883 0.72887486 0.49295886
0.26184242 0.74982064 0.39275647
0.17545980 0.72797395 0.34524124
0.20564440 0.68347191 0.54464297
0.12036740 0.66079807 0.49645875
0.10464637 0.68448220 0.39735781
0.40048401 0.54534257 0.53523731
0.34029062 0.79760987 0.34050256
0.21245222 0.39680889 0.18521466
0.29985120 0.34452639 0.22386852
0.29084327 0.27737541 0.13406041
0.19969411 0.32752304 0.09715234
0.24421108 0.49274946 0.14345774
0.21170254 0.39044504 0.00830434
0.29080191 0.27989603 0.31192838
0.28775775 0.17565400 0.17582567
0.25643942 0.56338872 0.97457478
0.24977558 0.65599802 0.01106995
0.23725700 0.73711029 0.95121951
0.26140727 0.55299567 0.87276730
0.25435441 0.63404103 0.81341096
0.24016085 0.72662839 0.84822604
0.25184589 0.88929515 0.77795302
0.21040150 0.95322046 0.70831557
0.21259558 0.05081705 0.73295264
0.31432562 0.92686869 0.85123522
0.31810144 0.02503278 0.87212901
0.26189079 0.08636026 0.81703854
0.21713683 0.82079164 0.01536827
0.18594188 0.92944313 0.60199583
0.12996021 0.08191057 0.91237641
0.89481435 0.08610026 0.77716591
0.89302752 0.91312180 0.86549747
0.06762926 0.89957461 0.90274156
0.97751645 0.14362210 0.19002604
0.95168803 0.83453088 0.18819805
0.83920563 0.83988524 0.32086362
0.64372776 0.21274126 0.56596928
0.65199751 0.02955280 0.24986990
0.53588037 0.15547010 0.26878577
0.53663068 0.25289424 0.41942226
0.01173552 0.86988933 0.61241136
0.74087435 0.50860002 0.26948569
0.79177133 0.61476961 0.13460558
0.91067405 0.66297445 0.00219751
0.95473757 0.45731235 0.98439080
0.60934714 0.30482208 0.01208532
0.72413176 0.47143709 0.77721148
0.60319116 0.40472054 0.65934771
0.22368534 0.17556682 0.51233493
0.34899195 0.33696313 0.81752827
0.18825472 0.34337920 0.76992767
0.12143933 0.27243625 0.60819193
0.06121588 0.59018137 0.25213002
0.80229025 0.90194405 0.73510136
0.65366090 0.79536380 0.84799222
0.54355338 0.81258524 0.68072283
0.70101525 0.86899462 0.57037155
0.93975963 0.63903856 0.70817784
0.68934127 0.53828956 0.55339585
0.73883959 0.36859428 0.57471194
1.00079695 0.18771473 0.96921289
0.70297451 0.23844086 0.78277178
0.70473117 0.15311861 0.94337337
0.85160906 0.13576668 0.04317866
0.62352266 0.09203204 0.74876382
0.43854534 0.35880214 0.99417377
0.40705918 0.43730063 0.09376392
0.52192845 0.58496696 0.15117790
0.65868772 0.54663626 0.02270930
0.47710828 0.50604033 0.69877449
0.45836820 0.76944151 0.85958938
0.39531158 0.84487397 0.70243141
0.16480193 0.74535158 0.26729088
0.21501396 0.67523653 0.62395168
0.06439483 0.62869736 0.53741143
0.03536002 0.67100048 0.36348016
0.64913091 0.34637755 0.25749189
0.15722065 0.40443420 0.23536109
0.36135022 0.39258091 0.23661784
0.34452040 0.28019254 0.08202299
0.13842509 0.27903316 0.08649322
0.24846015 0.66516442 0.08998960
0.27003065 0.48365503 0.83897634
0.26034226 0.62585220 0.73482431
0.17574483 0.09941534 0.68333863
0.35262293 0.87761023 0.89922406
0.36084646 0.05151712 0.93566698
0.25884161 0.16210150 0.83605057
0.29084646 0.12695766 0.32374025
0.09778710 0.13323974 0.10549058
0.91375743 0.86413107 0.01789464
0.96062505 0.04573906 0.58512490
0.03516499 0.79848088 0.79065058
0.77875380 0.98562201 0.39509271
0.72855724 0.34232712 0.11468241
0.78240507 0.57190693 0.89215418
0.88714200 0.57155914 0.31178178
0.08715399 0.58225739 0.06343627
0.47788672 0.28540440 0.69119505
0.86068691 0.72675729 0.80580277
0.63889405 0.67758793 0.55223784
0.68143924 0.97928360 0.91951061
0.58228506 0.99340984 0.59228978
0.85325152 0.30908675 0.69549872
0.45338793 0.43093653 0.81244066
0.53896461 0.69730152 0.99804967
0.48677666 0.26735228 0.18906470
0.69004986 0.53775609 0.22910196
0.35843957 0.76103687 0.53700085
0.26989089 0.56347383 0.19243807
0.19341993 0.36736127 0.92292632
0.29048692 0.30697540 0.39716267
0.29345382 0.09988573 0.13254678
0.22801428 0.79246094 0.77180497
0.00920241 0.98750556 0.09012026
0.97772406 0.89924463 0.66713160
0.75225175 0.41862354 0.96249348
0.00526410 0.59542480 0.20326603
0.77254385 0.68782025 0.65872677
0.62272495 0.01131693 0.75960942
0.50052232 0.58072835 0.87706831
0.60160013 0.39141863 0.22623489
0.24685752 0.48346066 0.03969980
0.28535253 0.18505769 0.27792459
0.80150918 0.22719820 0.29834620
0.95224761 0.24196395 0.31338446
0.87712193 0.18439937 0.43584016
0.79265396 0.99042667 0.57799882
0.62228106 0.17997354 0.70720452
0.78172644 0.12984215 0.64409512
0.39074667 0.31606530 0.96310101
0.47309391 0.12800685 0.82590753
0.52299956 0.15188962 0.97892016
0.39349853 0.14821797 0.45124933
0.36620767 0.05036934 0.57318323
0.48932461 0.14555453 0.58154150
0.85944158 0.43446487 0.84789483
0.07182801 0.55336329 0.72126864
0.03059098 0.47059076 0.84506850
0.99140411 0.20155475 0.68380781
0.08530086 0.19382064 0.81503691
0.04746053 0.33313373 0.75077970
0.33555086 0.47650005 0.56090675
0.47987866 0.49717540 0.52162083
0.37214717 0.58017506 0.44624942
0.35456419 0.89311788 0.36610869
0.32258189 0.79490529 0.24168671
0.42290604 0.75539021 0.35892125
0.29117165 0.84663541 0.07687075
0.14480742 0.79582476 0.07391777
0.19171395 0.90223452 0.96899784
0.26345046 0.90991370 0.55632463
0.14647537 0.00351979 0.55127881
0.12756305 0.84928903 0.58342659
No title
1
14.496130 -0.319878 -0.442182
-0.315639 13.847728 0.029923
-0.442199 0.033361 13.597717
C H O N F
110 60 25 10 30
Direct configuration= 29
0.07819005 0.04365159 0.95328559
0.93017849 0.02219079 0.75921761
0.95191074 0.94511917 0.82691790
0.02416035 0.95860151 0.92286939
0.06753706 0.06408307 0.05393609
0.97507959 0.92732778 0.01330918
0.95721178 -0.00074879 0.66277319
0.99254265 0.86912449 0.76244979
0.96461755 0.98958272 0.17775671
0.94564422 0.07769183 0.21844150
0.88707955 0.08208901 0.29523766
0.93210014 0.90262239 0.21805622
0.87046803 0.90582496 0.29107609
0.84421798 0.99434611 0.32584157
0.71225296 0.05200880 0.39667025
0.70908759 0.10477995 0.48556042
0.64893672 0.18158329 0.49290212
0.65079679 0.07040586 0.31792527
0.58728479 0.14191803 0.32833573
0.58871129 0.19943182 0.41334549
0.87896527 0.18239073 0.33596008
0.76153841 0.07649719 0.56781039
0.84622109 0.47202187 0.09234681
0.85546934 0.57546332 0.13289159
0.92116646 0.59988404 0.05019813
0.89763664 0.50045083 0.00528692
0.77102368 0.40381167 0.06648948
0.81836638 0.49695875 0.92458708
0.91433327 0.58204782 0.22839000
0.01494465 0.59511855 0.10154683
0.67844189 0.39193510 0.90396578
0.59405517 0.34410250 0.94359809
0.54365185 0.27958121 0.86603154
0.67203405 0.42043607 0.80232065
0.60552430 0.38265237 0.73627620
0.53562280 0.31511888 0.76518531
0.38281247 0.26610922 0.68485732
0.34592165 0.21376151 0.60254922
0.25187680 0.21709294 0.57557743
0.32376077 0.30676943 0.74749791
0.23086423 0.31035734 0.71853078
0.19456485 0.26982845 0.63032660
0.51416728 0.18995360 0.88946315
0.39961742 0.14160141 0.55262005
0.75304858 0.83957977 0.73062328
0.66567692 0.85179719 0.79302129
0.60842820 0.85399914 0.69381444
0.68980169 0.82621199 0.63666758
0.80346478 0.74791947 0.74143165
0.69322079 0.72298268 0.60875711
0.65858629 0.95323120 0.83509664
0.59886287 0.96000042 0.67490057
0.80661219 0.59698168 0.64242986
0.89550902 0.57933743 0.67840155
0.92183707 0.48331874 0.69781542
0.75419716 0.52229524 0.59336153
0.78234882 0.42843686 0.60540655
0.85549076 0.40494015 0.67164171
0.85057719 0.26658250 0.78976723
0.93368205 0.24070529 0.83623491
0.93481839 0.20001010 0.93062148
0.76792134 0.23450371 0.82747013
0.76906956 0.18449977 0.91703564
0.85201557 0.17193245 0.97168316
0.00734954 0.49428012 0.75500939
0.01370682 0.24173354 0.77345972
0.55285567 0.44243987 0.95760445
0.47740061 0.43162603 0.12347834
0.54648671 0.51527926 0.12733960
0.58384493 0.52814164 0.02176867
0.49831628 0.47871968 0.87793558
0.53967436 0.61482936 0.96719357
0.51155302 0.35286252 0.17595403
0.61906253 0.48071570 0.20058354
0.46873174 0.63073202 0.79162673
0.45804973 0.57993672 0.70263819
0.41724743 0.61824133 0.61752745
0.44646018 0.72757643 0.79220819
0.41066975 0.76868983 0.70510538
0.39275659 0.71457177 0.61923658
0.27518679 0.72885654 0.49292389
0.26185824 0.74982662 0.39273152
0.17545053 0.72798874 0.34521838
0.20567022 0.68343418 0.54466000
0.12036768 0.66079475 0.49640155
0.10461051 0.68448483 0.39735936
0.40052204 0.54532331 0.53520292
0.34026025 0.79760264 0.34048913
0.21251264 0.39681696 0.18516738
0.29980230 0.34447463 0.22390582
0.29082390 0.27736519 0.13407285
0.19966625 0.32751256 0.09718878
0.24416350 0.49262697 0.14343445
0.21170242 0.39047182 0.00849580
0.29076842 0.27988654 0.31193151
0.28773291 0.17583048 0.17592148
0.25642995 0.56336951 0.97456849
0.24977204 0.65599761 0.01110214
0.23726401 0.73710528 0.95122734
0.26140257 0.55298810 0.87278994
0.25436847 0.63399045 0.81338912
0.24017312 0.72664200 0.84820660
0.25189588 0.88931441 0.77801045
0.21041081 0.95322157 0.70831451
0.21261538 0.05083881 0.73297116
0.31430297 0.92683479 0.85121739
0.31811625 0.02506832 0.87217919
0.26191321 0.08636401 0.81706857
0.21718718 0.82080539 0.01537719
0.18592844 0.92943315 0.60201690
0.12995390 0.08189681 0.91236576
0.89479411 0.08612073 0.77715990
0.89300880 0.91308677 0.86548566
0.06761676 0.89952707 0.90274426
0.97751973 0.14361096 0.19004072
0.95167785 0.83449243 0.18822703
0.83918329 0.83988210 0.32088651
0.64373212 0.21280288 0.56592500
0.65199476 0.02953627 0.24984440
0.53587962 0.15545653 0.26875868
0.53663102 0.25293604 0.41936759
0.01171158 0.86984509 0.61235827
0.74084254 0.50864614 0.26951723
0.79176979 0.61478198 0.13464354
0.91067106 0.66299539 0.00223743
0.95472823 0.45733337 0.98440270
0.60933460 0.30481245 0.01212742
0.72411954 0.47144005 0.77721599
0.60316215 0.40472031 0.65932687
0.22368176 0.17557512 0.51230513
0.34898235 0.33696357 0.81749103
0.18824362 0.34344785 0.76988662
0.12145210 0.27247467 0.60812247
0.06121388 0.59015560 0.25218266
0.80227348 0.90194665 0.73508680
0.65365450 0.79534301 0.84799176
0.54355577 0.81255738 0.68070208
0.70098170 0.86899106 0.57035628
0.93976987 0.63905089 0.70811547
0.68933021 0.53825681 0.55336977
0.73883783 0.36855460 0.57469917
1.00086044 0.18773116 0.96922917
0.70303985 0.23845645 0.78274870
0.70476813 0.15315933 0.94337285
0.85165196 0.13582702 0.04315983
0.62351690 0.09202134 0.74875677
0.43859300 0.35887416 0.99425019
0.40703422 0.43734098 0.09378763
0.52192155 0.58502107 0.15120910
0.65870029 0.54664614 0.02276533
0.47718650 0.50605896 0.69877005
0.45834647 0.76945934 0.85958883
0.39528927 0.84487637 0.70241768
0.16477924 0.74537287 0.26726849
0.21504144 0.67517242 0.62391132
0.06439371 0.62867763 0.53740270
0.03535571 0.67104581 0.36348128
0.64911365 0.34639002 0.25755314
0.15718721 0.40444552 0.23543556
0.36136082 0.39257580 0.23666289
0.34449466 0.28018335 0.08203209
0.13840497 0.27902690 0.08652753
0.24845534 0.66517115 0.08998058
0.27002923 0.48361853 0.83898613
0.26035852 0.62581550 0.73483166
0.17577093 0.09942837 0.68335911
0.35263444 0.87760784 0.89926039
0.36084431 0.05151995 0.93571274
0.25886760 0.16211806 0.83608606
0.29079782 0.12693256 0.32376050
0.09783748 0.13331590 0.10559559
0.91381527 0.86412159 0.01790237
0.96056972 0.04566513 0.58514560
0.03520493 0.79842347 0.79064076
0.77874188 0.98563248 0.39510475
0.72850939 0.34232414 0.11473996
0.78239049 0.57191938 0.89219196
0.88714733 0.57152558 0.31179155
0.08717042 0.58230010 0.06346642
0.47785109 0.28537998 0.69119286
0.86064642 0.72676628 0.80573665
0.63889719 0.67756089 0.55212310
0.68143300 0.97927634 0.91944489
0.58223411 0.99339373 0.59226150
0.85332515 0.30907029 0.69546880
0.45344515 0.43100162 0.81252446
0.53902670 0.69738256 0.99806908
0.48676101 0.26742131 0.18909016
0.69005050 0.53776657 0.22916578
0.35844911 0.76101633 0.53699420
0.26995145 0.56356260 0.19251184
0.19334391 0.36730791 0.92278997
0.29041820 0.30695923 0.39717481
0.29346620 0.09969052 0.13246247
0.22803924 0.79243550 0.77179985
0.00920428 0.98747789 0.09012317
0.97767886 0.89921683 0.66715075
0.75226507 0.41863212 0.96251421
0.00525552 0.59540928 0.20330041
0.77253813 0.68781483 0.65867372
0.62271781 0.01132222 0.75958695
0.50054949 0.58076268 0.87709400
0.60154410 0.39143736 0.22626572
0.24684479 0.48346057 0.03970767
0.28531140 0.18504640 0.27796812
0.80149813 0.22720393 0.29838422
0.95223464 0.24197567 0.31338415
0.87714650 0.18440479 0.43586676
0.79259468 0.99044230 0.57801785
0.62227437 0.17998674 0.70721976
0.78168165 0.12986990 0.64412686
0.39069991 0.31605571 0.96308945
0.47312727 0.12798896 0.82591136
0.52299768 0.15186963 0.97892460
0.39346575 0.14818548 0.45120959
0.36624572 0.05033548 0.57318110
0.48934313 0.14558984 0.58148521
0.85941898 0.43450764 0.84787643
0.07180744 0.55332637 0.72126641
0.03057397 0.47058940 0.84504788
0.99147492 0.20147402 0.68380517
0.08537982 0.19389453 0.81507442
0.04746995 0.33315311 0.75069912
0.33555295 0.47650784 0.56087062
0.47989083 0.49713934 0.52162895
0.37221180 0.58017007 0.44622393
0.35456364 0.89313057 0.36610534
0.32258257 0.79491388 0.24166315
0.42290967 0.75538640 0.35890773
0.29122901 0.84665836 0.07681732
0.14487968 0.79583631 0.07396834
0.19171239 0.90223537 0.96900030
0.26343179 0.90991063 0.55631357
0.14644149 0.00349950 0.55129690
0.12756561 0.84926090 0.58346978
No title
1
14.497567 -0.320392 -0.443350
-0.316287 13.844586 0.028142
-0.443499 0.031604 13.593768
C H O N F
110 60 25 10 30
Direct configuration= 30
0.07811831 0.04349097 0.95337517
0.93019546 0.02197849 0.75916826
0.95192060 0.94505544 0.82679181
0.02409939 0.95839918 0.92288207
0.06752470 0.06392580 0.05399365
0.97508674 0.92713020 0.01336718
0.95704090 -0.00090662 0.66262545
0.99252033 0.86897183 0.76232852
0.96458971 0.98951336 0.17786921
0.94562683 0.07761435 0.21851738
0.88705947 0.08208889 0.29527723
0.93202402 0.90251766 0.21821522
0.87040422 0.90578493 0.29117119
0.84415410 0.99434694 0.32591816
0.71218836 0.05207262 0.39661000
0.70900646 0.10493430 0.48551464
0.64891276 0.18183412 0.49277377
0.65080536 0.07039404 0.31785920
0.58723555 0.14196069 0.32814867
0.58872915 0.19957097 0.41313167
0.87897319 0.18243698 0.33604276
0.76134445 0.07659268 0.56785523
0.84620156 0.47206858 0.09242928
0.85546676 0.57550336 0.13306470
0.92115623 0.59999372 0.05037120
0.89763011 0.50051151 0.00535570
0.77097731 0.40389133 0.06657632
0.81829313 0.49706997 0.92462254
0.91430537 0.58195901 0.22860498
0.01491173 0.59520695 0.10174125
0.67832854 0.39191859 0.90403447
0.59398399 0.34414448 0.94365282
0.54356922 0.27953373 0.86615813
0.67192055 0.42039933 0.80235760
0.60539940 0.38257646 0.73636388
0.53559657 0.31511295 0.76517774
0.38276053 0.26601282 0.68475502
0.34588404 0.21367577 0.60244110
0.25181698 0.21703654 0.57535522
0.32372412 0.30680874 0.74742461
0.23087869 0.31048399 0.71826770
0.19456362 0.26992527 0.63005769
0.51413789 0.18980547 0.88946038
0.39959276 0.14156710 0.55245009
0.75296347 0.83954487 0.73051396
0.66564101 0.85175250 0.79291137
0.60833023 0.85383923 0.69371144
0.68972606 0.82619847 0.63648942
0.80332662 0.74794957 0.74116216
0.69326434 0.72296427 0.60848479
0.65857367 0.95317587 0.83500266
0.59872701 0.95990051 0.67479950
0.80664009 0.59693836 0.64219887
0.89555335 0.57938261 0.67813805
0.92185244 0.48333939 0.69758778
0.75419831 0.52217320 0.59324211
0.78235751 0.42833936 0.60531232
0.85560362 0.40490919 0.67148462
0.85082568 0.26661884 0.78965526
0.93403134 0.24076426 0.83618970
0.93504383 0.20013027 0.93058965
0.76820644 0.23460878 0.82730258
0.76936560 0.18470868 0.91692687
0.85232045 0.17208551 0.97174468
0.00747874 0.49436614 0.75485360
0.01401960 0.24177058 0.77351460
0.55291436 0.44249560 0.95773339
0.47734090 0.43182215 0.12364659
0.54642369 0.51540506 0.12747986
0.58386913 0.52824175 0.02193533
0.49830958 0.47881061 0.87793954
0.53985715 0.61501328 0.96727185
0.51141824 0.35303586 0.17612392
0.61900457 0.48092111 0.20082352
0.46885987 0.63077679 0.79162630
0.45830298 0.57999123 0.70263136
0.41741346 0.61824723 0.61747975
0.44642073 0.72767710 0.79220370
0.41062291 0.76869610 0.70506567
0.39278106 0.71453328 0.61915176
0.27519536 0.72874880 0.49280380
0.26186272 0.74982704 0.39259430
0.17538868 0.72805568 0.34512469
0.20575958 0.68324791 0.54457783
0.12038399 0.66074182 0.49625306
0.10451829 0.68455830 0.39729534
0.40071780 0.54524644 0.53506662
0.34017961 0.79759982 0.34039124
0.21258546 0.39681464 0.18519591
0.29969234 0.34434216 0.22407745
0.29072944 0.27731619 0.13415892
0.19953545 0.32745299 0.09736318
0.24421791 0.49275558 0.14368813
0.21149293 0.39036103 0.00835168
0.29055812 0.27985715 0.31208835
0.28765694 0.17559728 0.17586751
0.25637814 0.56333976 0.97458799
0.24975413 0.65595697 0.01117936
0.23730631 0.73707075 0.95123363
0.26138769 0.55287287 0.87284919
0.25442573 0.63383520 0.81334721
0.24024763 0.72660841 0.84813428
0.25203172 0.88934407 0.77814382
0.21048200 0.95325910 0.70838012
0.21272453 0.05089196 0.73306537
0.31431637 0.92678643 0.85129744
0.31817015 0.02514248 0.87238549
0.26202889 0.08641291 0.81723360
0.21742358 0.82087758 0.01540845
0.18587240 0.92937114 0.60211184
0.12985974 0.08178641 0.91236807
0.89477082 0.08606534 0.77709393
0.89295631 0.91293100 0.86538783
0.06753865 0.89928639 0.90275871
0.97754178 0.14354018 0.19011532
0.95161197 0.83432803 0.18840208
0.83906746 0.83986547 0.32100610
0.64374932 0.21314949 0.56572140
0.65198488 0.02946731 0.24974898
0.53583978 0.15539011 0.26857060
0.53665457 0.25313971 0.41907563
0.01153562 0.86963385 0.61215865
0.74073925 0.50884293 0.26974281
0.79176845 0.61484191 0.13484488
0.91065325 0.66311764 0.00244299
0.95469649 0.45743103 0.98445988
0.60925867 0.30481078 0.01227188
0.72403611 0.47143870 0.77723924
0.60301170 0.40468849 0.65932454
0.22363805 0.17557733 0.51208601
0.34895116 0.33700055 0.81737641
0.18823260 0.34377525 0.76960409
0.12149732 0.27268697 0.60775489
0.06119333 0.59001866 0.25244535
0.80217578 0.90195028 0.73500607
0.65362757 0.79526375 0.84795586
0.54352995 0.81237995 0.68058469
0.70080811 0.86900017 0.57023463
0.93983083 0.63912195 0.70778350
0.68928542 0.53808446 0.55324060
0.73884435 0.36836429 0.57464079
1.00113160 0.18783061 0.96928036
0.70335641 0.23854248 0.78260324
0.70499617 0.15339687 0.94335014
0.85188900 0.13610644 0.04315024
0.62348582 0.09196692 0.74871471
0.43869705 0.35912353 0.99456185
0.40693809 0.43756299 0.09393376
0.52189671 0.58525842 0.15135401
0.65875574 0.54669884 0.02306616
0.47760055 0.50617324 0.69873628
0.45823705 0.76957469 0.85961622
0.39517281 0.84487574 0.70234118
0.16465884 0.74548704 0.26715023
0.21519518 0.67482247 0.62376958
0.06441564 0.62858966 0.53732854
0.03528707 0.67127865 0.36346797
0.64897552 0.34649944 0.25784807
0.15715531 0.40449328 0.23569546
0.36134250 0.39248637 0.23689086
0.34435980 0.28013534 0.08207026
0.13828602 0.27897803 0.08671151
0.24843015 0.66520361 0.08999652
0.27001370 0.48345272 0.83906310
0.26045094 0.62560858 0.73483008
0.17590372 0.09951314 0.68345768
0.35267306 0.87761079 0.89942951
0.36084549 0.05154170 0.93598209
0.25900476 0.16219798 0.83627423
0.29053907 0.12678999 0.32385986
0.09784867 0.13315246 0.10570692
0.91386473 0.86380727 0.01797079
0.96028761 0.04544877 0.58496663
0.03527050 0.79834561 0.79050102
0.77867490 0.98568760 0.39515990
0.72838342 0.34249683 0.11490678
0.78229626 0.57202074 0.89237371
0.88713033 0.57132939 0.31198977
0.08717216 0.58253903 0.06366422
0.47773681 0.28528668 0.69119104
0.86071708 0.72669746 0.80570551
0.63903098 0.67752464 0.55164008
0.68147776 0.97931618 0.91937506
0.58197046 0.99328760 0.59214088
0.85370870 0.30900657 0.69529780
0.45346807 0.43111224 0.81260373
0.53936089 0.69756575 0.99808115
0.48660728 0.26758094 0.18925408
0.69001614 0.53790840 0.22945475
0.35847149 0.76092409 0.53691450
0.27004590 0.56342082 0.19251726
0.19314151 0.36727834 0.92306176
0.29005762 0.30687117 0.39719860
0.29346879 0.09967767 0.13258961
0.22819036 0.79236270 0.77177204
0.00917761 0.98729489 0.09018202
0.97749458 0.89902406 0.66706255
0.75227462 0.41865147 0.96258837
0.00521502 0.59532251 0.20350902
0.77253645 0.68776312 0.65840151
0.62268555 0.01129678 0.75947913
0.50067266 0.58088464 0.87716101
0.60135241 0.39160748 0.22646771
0.24673251 0.48337575 0.03980854
0.28509856 0.18501394 0.27811523
0.80144531 0.22723123 0.29858905
0.95217018 0.24204241 0.31338197
0.87727861 0.18443269 0.43600478
0.79228879 0.99050689 0.57812715
0.62223914 0.18006521 0.70729918
0.78144047 0.12999494 0.64426813
0.39061404 0.31615136 0.96313906
0.47327007 0.12784247 0.82588072
0.52298468 0.15174713 0.97895708
0.39328441 0.14801459 0.45100254
0.36645409 0.05018581 0.57316427
0.48940089 0.14577638 0.58116944
0.85929842 0.43473834 0.84777475
0.07182153 0.55323454 0.72119652
0.03049634 0.47059000 0.84494801
0.99186168 0.20106863 0.68384313
0.08579541 0.19429284 0.81527025
0.04750490 0.33323635 0.75027249
0.33556642 0.47654812 0.56067600
0.47996867 0.49693648 0.52166716
0.37255317 0.58014710 0.44607232
0.35455075 0.89317008 0.36608356
0.32258001 0.79495811 0.24155141
0.42289533 0.75537828 0.35883218
0.29156102 0.84679029 0.07655464
0.14526772 0.79589929 0.07423943
0.19170838 0.90223373 0.96901504
0.26332208 0.90989625 0.55625998
0.14625776 0.00339013 0.55139528
0.12757754 0.84911363 0.58370143
No title
1
14.497663 -0.320384 -0.443621
-0.316299 13.844058 0.027935
-0.443771 0.031395 13.593434
C H O N F
110 60 25 10 30
Direct configuration= 31
0.07812258 0.04346270 0.95334146
0.93015604 0.02204753 0.75914140
0.95191310 0.94497855 0.82682633
0.02409455 0.95836686 0.92288973
0.06753240 0.06393679 0.05406256
0.97508171 0.92708454 0.01336913
0.95701186 -0.00096684 0.66263058
0.99252073 0.86894042 0.76232340
0.96458690 0.98946500 0.17787676
0.94563140 0.07762174 0.21852632
0.88704242 0.08208616 0.29530184
0.93203293 0.90249931 0.21821580
0.87037323 0.90577826 0.29121105
0.84414982 0.99435257 0.32592590
0.71219088 0.05208817 0.39663258
0.70899025 0.10496646 0.48550939
0.64892276 0.18185832 0.49273126
0.65076953 0.07040610 0.31780768
0.58725846 0.14194830 0.32813183
0.58871244 0.19961346 0.41308424
0.87897020 0.18243896 0.33606079
0.76130397 0.07663568 0.56787259
0.84620824 0.47208513 0.09244470
0.85545792 0.57551163 0.13309387
0.92115001 0.60000044 0.05040380
0.89761541 0.50053841 0.00537838
0.77095333 0.40388564 0.06660435
0.81829561 0.49706793 0.92464715
0.91431014 0.58194488 0.22861882
0.01492140 0.59522369 0.10177344
0.67834631 0.39194007 0.90405501
0.59397262 0.34411279 0.94371392
0.54354383 0.27952684 0.86613751
0.67192602 0.42040822 0.80238816
0.60538526 0.38259263 0.73630466
0.53555049 0.31504834 0.76521496
0.38273707 0.26602099 0.68477728
0.34585142 0.21364542 0.60239528
0.25182582 0.21704785 0.57534973
0.32371625 0.30678967 0.74735569
0.23086981 0.31053475 0.71826286
0.19457220 0.26992894 0.62998569
0.51415713 0.18982391 0.88948237
0.39960647 0.14154554 0.55242168
0.75295039 0.83955099 0.73048269
0.66562516 0.85171475 0.79291224
0.60833266 0.85383762 0.69368984
0.68970572 0.82617575 0.63647539
0.80343074 0.74788601 0.74124328
0.69323665 0.72293242 0.60838617
0.65856787 0.95318363 0.83497571
0.59869486 0.95988948 0.67476723
0.80664100 0.59693248 0.64215185
0.89556426 0.57937322 0.67809063
0.92189689 0.48336308 0.69756433
0.75418334 0.52215788 0.59321015
0.78235942 0.42829415 0.60529611
0.85561783 0.40489655 0.67144922
0.85093863 0.26662635 0.78963232
0.93403041 0.24078893 0.83617207
0.93514200 0.20014360 0.93061414
0.76826112 0.23462300 0.82728658
0.76942244 0.18472162 0.91695360
0.85233021 0.17214704 0.97167939
0.00741121 0.49432535 0.75482974
0.01408096 0.24177328 0.77347315
0.55289361 0.44252727 0.95772379
0.47729480 0.43184884 0.12365750
0.54642311 0.51547312 0.12752113
0.58388336 0.52825923 0.02196303
0.49837385 0.47886003 0.87804274
0.53989107 0.61502178 0.96728069
0.51140140 0.35307961 0.17615850
0.61896992 0.48092488 0.20086425
0.46887842 0.63083704 0.79164141
0.45834663 0.58000144 0.70261478
0.41744746 0.61823205 0.61746053
0.44642134 0.72765545 0.79220156
0.41061097 0.76870535 0.70505649
0.39279367 0.71451720 0.61915111
0.27520901 0.72872988 0.49279397
0.26183293 0.74981254 0.39257530
0.17537494 0.72806838 0.34510599
0.20575581 0.68321362 0.54451319
0.12039048 0.66071967 0.49627625
0.10453573 0.68459071 0.39726657
0.40074338 0.54524700 0.53506943
0.34020304 0.79761263 0.34037345
0.21251650 0.39681954 0.18530065
0.29971343 0.34436464 0.22409251
0.29070536 0.27728231 0.13417073
0.19952879 0.32745464 0.09735314
0.24418125 0.49261530 0.14359481
0.21149792 0.39038794 0.00857738
0.29051051 0.27980133 0.31202723
0.28763476 0.17566411 0.17594726
0.25636384 0.56330775 0.97463556
0.24975067 0.65596104 0.01115263
0.23731755 0.73706209 0.95122406
0.26138702 0.55284617 0.87283306
0.25443110 0.63383543 0.81336824
0.24026633 0.72656167 0.84814553
0.25200944 0.88931868 0.77810455
0.21050416 0.95326525 0.70841699
0.21274323 0.05089300 0.73307987
0.31436760 0.92683332 0.85137537
0.31817334 0.02511002 0.87240446
0.26204911 0.08643466 0.81726742
0.21744258 0.82087587 0.01539613
0.18586745 0.92936066 0.60212275
0.12982673 0.08175558 0.91238115
0.89478951 0.08601049 0.77707299
0.89296625 0.91291304 0.86535717
0.06752133 0.89924258 0.90275969
0.97754435 0.14352242 0.19013068
0.95159628 0.83430736 0.18843985
0.83904651 0.83986261 0.32102828
0.64374957 0.21322366 0.56569847
0.65198445 0.02945755 0.24973949
0.53582336 0.15538034 0.26852394
0.53666540 0.25317208 0.41901911
0.01148248 0.86960641 0.61214979
0.74075201 0.50885865 0.26981340
0.79177188 0.61485104 0.13488360
0.91064897 0.66314570 0.00247954
0.95469789 0.45744272 0.98446669
0.60924149 0.30482549 0.01227665
0.72400881 0.47142723 0.77724687
0.60298473 0.40467396 0.65935263
0.22362193 0.17556344 0.51202448
0.34895272 0.33701798 0.81737871
0.18824677 0.34382458 0.76952848
0.12150073 0.27272863 0.60768484
0.06117660 0.58999309 0.25248288
0.80215598 0.90194780 0.73499105
0.65362719 0.79526284 0.84793511
0.54351041 0.81233500 0.68056004
0.70077783 0.86901318 0.57019564
0.93984447 0.63914097 0.70772209
0.68928474 0.53805099 0.55322186
0.73885196 0.36833739 0.57463352
1.00116199 0.18785442 0.96927693
0.70340330 0.23855980 0.78256630
0.70506064 0.15345363 0.94333411
0.85193643 0.13614121 0.04318642
0.62347990 0.09196331 0.74870570
0.43864163 0.35910569 0.99457477
0.40693214 0.43760584 0.09396827
0.52189640 0.58528576 0.15137452
0.65875994 0.54670764 0.02312327
0.47768082 0.50619050 0.69872745
0.45821661 0.76959897 0.85962370
0.39515077 0.84487557 0.70232613
0.16463644 0.74550885 0.26713277
0.21522650 0.67475353 0.62376248
0.06443084 0.62857928 0.53730383
0.03525524 0.67131992 0.36345661
0.64892013 0.34654473 0.25788663
0.15720073 0.40449630 0.23569542
0.36131598 0.39244780 0.23693109
0.34433523 0.28013132 0.08207722
0.13825603 0.27896511 0.08675260
0.24842424 0.66521143 0.09002301
0.27001019 0.48342651 0.83908174
0.26047069 0.62556599 0.73481174
0.17592897 0.09953121 0.68347528
0.35267432 0.87761402 0.89945474
0.36085070 0.05154831 0.93604096
0.25903041 0.16220971 0.83630867
0.29048754 0.12677994 0.32387301
0.09783602 0.13308537 0.10570023
0.91387181 0.86374568 0.01798387
0.96023371 0.04542384 0.58490611
0.03528077 0.79833236 0.79047338
0.77866256 0.98569460 0.39516962
0.72837111 0.34254809 0.11492478
0.78226464 0.57206446 0.89239711
0.88711917 0.57128924 0.31205313
0.08716095 0.58258626 0.06370725
0.47774616 0.28528047 0.69119591
0.86061013 0.72673155 0.80556447
0.63908264 0.67754316 0.55157738
0.68148781 0.97931999 0.91936424
0.58192332 0.99325917 0.59213173
0.85377918 0.30900268 0.69526142
0.45342550 0.43109819 0.81256053
0.53942448 0.69762024 0.99808987
0.48657369 0.26760039 0.18928685
0.68997973 0.53796305 0.22948189
0.35846497 0.76091201 0.53688194
0.27011534 0.56354112 0.19262481
0.19305765 0.36721694 0.92289618
0.28998986 0.30689667 0.39731296
0.29347595 0.09958813 0.13256429
0.22822191 0.79238030 0.77175942
0.00916954 0.98726768 0.09021331
0.97748136 0.89896754 0.66697685
0.75224172 0.41863948 0.96258195
0.00522055 0.59530375 0.20356875
0.77253747 0.68778014 0.65836837
0.62267997 0.01126764 0.75946038
0.50069210 0.58090188 0.87716086
0.60136550 0.39163169 0.22653422
0.24672011 0.48339298 0.03980472
0.28505946 0.18496358 0.27810781
0.80143703 0.22723579 0.29862860
0.95216137 0.24205875 0.31338051
0.87730393 0.18443786 0.43602751
0.79223330 0.99050948 0.57815073
0.62223233 0.18008049 0.70731463
0.78139192 0.13000710 0.64427849
0.39067578 0.31624011 0.96319865
0.47328114 0.12779186 0.82585292
0.52298112 0.15171773 0.97896801
0.39324862 0.14798290 0.45096948
0.36649849 0.05017212 0.57315894
0.48939455 0.14581191 0.58110309
0.85927610 0.43478267 0.84775109
0.07187940 0.55326405 0.72115817
0.03048682 0.47059328 0.84493254
0.99194434 0.20100692 0.68388586
0.08588155 0.19436733 0.81531250
0.04750705 0.33324287 0.75019370
0.33557319 0.47655760 0.56063667
0.47999399 0.49689017 0.52167067
0.37261759 0.58014437 0.44603284
0.35454353 0.89316788 0.36607735
0.32257458 0.79496540 0.24152493
0.42287599 0.75538252 0.35881418
0.29164582 0.84682681 0.07652426
0.14534643 0.79591478 0.07429357
0.19170874 0.90223535 0.96901880
0.26329746 0.90989389 0.55625174
0.14622212 0.00336731 0.55141585
0.12757957 0.84908466 0.58374622
No title
1
14.498933 -0.320952 -0.444926
-0.316991 13.841085 0.026209
-0.445193 0.029691 13.589505
C H O N F
110 60 25 10 30
Direct configuration= 32
0.07806000 0.04329541 0.95337126
0.93013052 0.02195810 0.75905597
0.95188501 0.94480066 0.82681253
0.02406239 0.95820122 0.92291901
0.06743658 0.06361798 0.05402424
0.97500894 0.92681196 0.01342815
0.95685616 -0.00112207 0.66241362
0.99246173 0.86887085 0.76216870
0.96455807 0.98930697 0.17795740
0.94561357 0.07756187 0.21860701
0.88701156 0.08209980 0.29536322
0.93197977 0.90240672 0.21834324
0.87030865 0.90574641 0.29130744
0.84409680 0.99435967 0.32599341
0.71212880 0.05216727 0.39660439
0.70893073 0.10510382 0.48548836
0.64889454 0.18207826 0.49253841
0.65073893 0.07041267 0.31771217
0.58723672 0.14196461 0.32795002
0.58872153 0.19976669 0.41288754
0.87895881 0.18246111 0.33616480
0.76111962 0.07676404 0.56794434
0.84618712 0.47212264 0.09251916
0.85543679 0.57555816 0.13325044
0.92112499 0.60007996 0.05056686
0.89757560 0.50062704 0.00546297
0.77094522 0.40400775 0.06666987
0.81823992 0.49716028 0.92470290
0.91428653 0.58184916 0.22888638
0.01487311 0.59531940 0.10199839
0.67830098 0.39195678 0.90414467
0.59390101 0.34409368 0.94383551
0.54346053 0.27951351 0.86617016
0.67182216 0.42038881 0.80238762
0.60534124 0.38258905 0.73636107
0.53542481 0.31492532 0.76527712
0.38267172 0.26592057 0.68466746
0.34581366 0.21356310 0.60229474
0.25181348 0.21698585 0.57514123
0.32365823 0.30682424 0.74726637
0.23083361 0.31067241 0.71800463
0.19458042 0.27006741 0.62979350
0.51416661 0.18973559 0.88953485
0.39961246 0.14146249 0.55226598
0.75289635 0.83949796 0.73035762
0.66556908 0.85161808 0.79284596
0.60826775 0.85375519 0.69357914
0.68962544 0.82609147 0.63633679
0.80330787 0.74789389 0.74098906
0.69333615 0.72297871 0.60816795
0.65857100 0.95318988 0.83495378
0.59855400 0.95977846 0.67467935
0.80664561 0.59691239 0.64191465
0.89561530 0.57939756 0.67783377
0.92198102 0.48338910 0.69737683
0.75416064 0.52202792 0.59307437
0.78237183 0.42814403 0.60521145
0.85572156 0.40486385 0.67128395
0.85124917 0.26667391 0.78949153
0.93431479 0.24084585 0.83616008
0.93542473 0.20025954 0.93060027
0.76859582 0.23469997 0.82720336
0.76963484 0.18488351 0.91689239
0.85259090 0.17235337 0.97162333
0.00735361 0.49428045 0.75471700
0.01436097 0.24180544 0.77335912
0.55290783 0.44262327 0.95781603
0.47719759 0.43203171 0.12379362
0.54637912 0.51568082 0.12769374
0.58393399 0.52835496 0.02211524
0.49834903 0.47886691 0.87802060
0.54007199 0.61514076 0.96734383
0.51126456 0.35320699 0.17634257
0.61886661 0.48107297 0.20108310
0.46899709 0.63093657 0.79164729
0.45857829 0.58009510 0.70257290
0.41763038 0.61816567 0.61739480
0.44639905 0.72772609 0.79223126
0.41056141 0.76869791 0.70500187
0.39283452 0.71448619 0.61911893
0.27524149 0.72863827 0.49265278
0.26178584 0.74977661 0.39249712
0.17530705 0.72814657 0.34497250
0.20580555 0.68302135 0.54438918
0.12039817 0.66064791 0.49619541
0.10451851 0.68469009 0.39721518
0.40088187 0.54521519 0.53501405
0.34022445 0.79763840 0.34029053
0.21240843 0.39680295 0.18555521
0.29967900 0.34434926 0.22416998
0.29060909 0.27718839 0.13423816
0.19942997 0.32740772 0.09745839
0.24422795 0.49264531 0.14369033
0.21132722 0.39031421 0.00862460
0.29028526 0.27972504 0.31228079
0.28753819 0.17569788 0.17613259
0.25630887 0.56320522 0.97468024
0.24973237 0.65595460 0.01116401
0.23736874 0.73703172 0.95118009
0.26137238 0.55274239 0.87288369
0.25447978 0.63372333 0.81336361
0.24034540 0.72647323 0.84816245
0.25208338 0.88931281 0.77815147
0.21058492 0.95325823 0.70850305
0.21286974 0.05098287 0.73321688
0.31444069 0.92686973 0.85152809
0.31824796 0.02511483 0.87261677
0.26212492 0.08648448 0.81737982
0.21759065 0.82090060 0.01537930
0.18582596 0.92930875 0.60220627
0.12971818 0.08163876 0.91238888
0.89478846 0.08591671 0.77700672
0.89295908 0.91278246 0.86523710
0.06744115 0.89901187 0.90276843
0.97756687 0.14346068 0.19020237
0.95152625 0.83416628 0.18861721
0.83892771 0.83983300 0.32115299
0.64375732 0.21358179 0.56553182
0.65197522 0.02939040 0.24965425
0.53578494 0.15531943 0.26833554
0.53668980 0.25336813 0.41872615
0.01129483 0.86940334 0.61196375
0.74072612 0.50900539 0.27010174
0.79177791 0.61490494 0.13508547
0.91062906 0.66327601 0.00268069
0.95468158 0.45752246 0.98451064
0.60916365 0.30484716 0.01238985
0.72390086 0.47140011 0.77728196
0.60284109 0.40463671 0.65935871
0.22357006 0.17554065 0.51178355
0.34892882 0.33706416 0.81728326
0.18826900 0.34412531 0.76921187
0.12153299 0.27293730 0.60731515
0.06113102 0.58985810 0.25272040
0.80205998 0.90195077 0.73490944
0.65361258 0.79521304 0.84786949
0.54345523 0.81213812 0.68043966
0.70061635 0.86904889 0.57003771
0.93990684 0.63921823 0.70739365
0.68925269 0.53788092 0.55310746
0.73887330 0.36816938 0.57458496
1.00141447 0.18796292 0.96931313
0.70366725 0.23864763 0.78238914
0.70535710 0.15372087 0.94327870
0.85217277 0.13638334 0.04324482
0.62344773 0.09192405 0.74866371
0.43853810 0.35917608 0.99475694
0.40684438 0.43782757 0.09412071
0.52188202 0.58548288 0.15149990
0.65879695 0.54675363 0.02341472
0.47809843 0.50627641 0.69869419
0.45810504 0.76969804 0.85962815
0.39503422 0.84488834 0.70225190
0.16452221 0.74562254 0.26704417
0.21537822 0.67440615 0.62363289
0.06447686 0.62850390 0.53720809
0.03514190 0.67154515 0.36341892
0.64871928 0.34670465 0.25814365
0.15728182 0.40453415 0.23584175
0.36125384 0.39231627 0.23715121
0.34420162 0.28009639 0.08211450
0.13812959 0.27891755 0.08694480
0.24839735 0.66524124 0.09008985
0.26999464 0.48326355 0.83915756
0.26056576 0.62536234 0.73478249
0.17606047 0.09961377 0.68356757
0.35271204 0.87761434 0.89961735
0.36084895 0.05156432 0.93629794
0.25916448 0.16228871 0.83649433
0.29022402 0.12669618 0.32395629
0.09791115 0.13306327 0.10591471
0.91397711 0.86349339 0.01804128
0.95994744 0.04517476 0.58479348
0.03538204 0.79817842 0.79036959
0.77859885 0.98574134 0.39523120
0.72822435 0.34269088 0.11510589
0.78215652 0.57218462 0.89257134
0.88710910 0.57110104 0.31220880
0.08719071 0.58281468 0.06388193
0.47770065 0.28520659 0.69121217
0.86063619 0.72667478 0.80547998
0.63914888 0.67746396 0.55103511
0.68151544 0.97932591 0.91921674
0.58166287 0.99315486 0.59200997
0.85415864 0.30896280 0.69507880
0.45348246 0.43126166 0.81269929
0.53975004 0.69785279 0.99811507
0.48643115 0.26779565 0.18944737
0.68986724 0.53815374 0.22969728
0.35846870 0.76083159 0.53676786
0.27023956 0.56350573 0.19271641
0.19282124 0.36714157 0.92299102
0.28963741 0.30684265 0.39734883
0.29349168 0.09936825 0.13256977
0.22836809 0.79235424 0.77171736
0.00914927 0.98712497 0.09031115
0.97730591 0.89877965 0.66685229
0.75219031 0.41862949 0.96262481
0.00519714 0.59521028 0.20379850
0.77255974 0.68776562 0.65814536
0.62264218 0.01119604 0.75934398
0.50081533 0.58103968 0.87722690
0.60128327 0.39178269 0.22679303
0.24661488 0.48335342 0.03988905
0.28485247 0.18479444 0.27811390
0.80139138 0.22726034 0.29883042
0.95210911 0.24213373 0.31337389
0.87743473 0.18446513 0.43614431
0.79192320 0.99057987 0.57826059
0.62219748 0.18015578 0.70739457
0.78115081 0.13010415 0.64437177
0.39079607 0.31652055 0.96338626
0.47339131 0.12761574 0.82579160
0.52296792 0.15159255 0.97900138
0.39306861 0.14781595 0.45078417
0.36672517 0.05007085 0.57313682
0.48940592 0.14599905 0.58077551
0.85915678 0.43501851 0.84764481
0.07201734 0.55328152 0.72103668
0.03041798 0.47060404 0.84482020
0.99236365 0.20065954 0.68404898
0.08631399 0.19475422 0.81552592
0.04752715 0.33328881 0.74978226
0.33560944 0.47661354 0.56043744
0.48010934 0.49666539 0.52169849
0.37295820 0.58012500 0.44586323
0.35451605 0.89318149 0.36604845
0.32255427 0.79500795 0.24138954
0.42281440 0.75539261 0.35872486
0.29204100 0.84699584 0.07632400
0.14575277 0.79599207 0.07456741
0.19170833 0.90223281 0.96903713
0.26318077 0.90988282 0.55620526
0.14603949 0.00325123 0.55152054
0.12759594 0.84893693 0.58397878
No title
1
14.499121 -0.320885 -0.445127
-0.316959 13.840303 0.025892
-0.445409 0.029373 13.588993
C H O N F
110 60 25 10 30
Direct configuration= 33
0.07804741 0.04326494 0.95337741
0.93013857 0.02190106 0.75904796
0.95189441 0.94480966 0.82677052
0.02403932 0.95814386 0.92291434
0.06748883 0.06372105 0.05415039
0.97506626 0.92682979 0.01342793
0.95681591 -0.00117852 0.66245987
0.99249578 0.86877049 0.76218513
0.96455324 0.98931915 0.17798526
0.94561060 0.07753778 0.21861812
0.88700839 0.08209764 0.29536996
0.93196800 0.90237623 0.21836747
0.87029138 0.90573750 0.29133081
0.84408505 0.99435763 0.32600737
0.71212220 0.05217545 0.39659920
0.70891104 0.10513505 0.48547402
0.64889974 0.18212472 0.49253792
0.65073875 0.07040994 0.31769653
0.58722786 0.14197552 0.32791910
0.58871527 0.19979225 0.41283111
0.87896156 0.18247291 0.33617513
0.76108024 0.07677594 0.56794368
0.84618526 0.47213749 0.09253728
0.85543973 0.57556165 0.13328928
0.92112014 0.60010411 0.05060097
0.89757858 0.50063162 0.00546872
0.77090397 0.40398150 0.06671027
0.81822442 0.49718743 0.92470617
0.91429388 0.58183897 0.22886797
0.01490292 0.59532828 0.10202084
0.67826001 0.39194631 0.90414848
0.59389054 0.34411752 0.94383223
0.54344156 0.27949145 0.86620969
0.67181963 0.42039122 0.80241755
0.60528452 0.38255034 0.73636367
0.53544892 0.31494329 0.76526428
0.38265896 0.26591925 0.68467595
0.34580570 0.21353204 0.60225624
0.25179527 0.21699295 0.57512319
0.32365438 0.30682223 0.74723130
0.23084973 0.31070859 0.71798308
0.19457973 0.27006338 0.62970832
0.51415594 0.18970722 0.88952356
0.39960371 0.14145957 0.55223935
0.75287769 0.83949554 0.73033871
0.66556550 0.85162261 0.79281915
0.60824124 0.85371341 0.69356268
0.68961340 0.82610862 0.63629568
0.80336573 0.74786401 0.74102444
0.69326559 0.72289427 0.60802723
0.65855060 0.95314843 0.83486541
0.59852780 0.95976961 0.67464721
0.80665839 0.59689161 0.64187180
0.89561885 0.57940806 0.67778381
0.92196582 0.48338705 0.69732505
0.75416469 0.52200230 0.59305545
0.78237592 0.42813413 0.60519515
0.85574491 0.40486088 0.67125564
0.85130192 0.26667451 0.78948348
0.93438385 0.24086502 0.83612704
0.93546602 0.20028187 0.93059717
0.76862405 0.23472486 0.82715153
0.76971876 0.18492745 0.91687403
0.85263543 0.17237268 0.97165025
0.00741606 0.49432463 0.75467891
0.01441944 0.24181249 0.77339683
0.55292056 0.44262498 0.95783748
0.47719840 0.43206660 0.12383013
0.54636635 0.51568784 0.12771633
0.58393264 0.52837380 0.02214270
0.49840452 0.47894797 0.87810922
0.54010473 0.61520239 0.96736534
0.51124833 0.35328017 0.17636542
0.61885625 0.48111100 0.20112863
0.46902269 0.63095611 0.79165742
0.45863415 0.58008229 0.70257620
0.41765494 0.61819042 0.61738431
0.44638995 0.72773854 0.79221801
0.41055562 0.76870934 0.70500795
0.39283670 0.71446301 0.61908723
0.27523089 0.72860659 0.49264852
0.26179511 0.74978598 0.39244932
0.17529790 0.72815628 0.34497216
0.20582803 0.68298978 0.54437204
0.12040843 0.66064045 0.49616850
0.10448673 0.68470311 0.39719111
0.40092215 0.54519532 0.53497865
0.34019551 0.79763254 0.34027362
0.21246322 0.39680503 0.18551262
0.29963610 0.34430851 0.22421664
0.29059139 0.27719594 0.13425951
0.19939876 0.32739642 0.09750377
0.24422131 0.49264018 0.14373913
0.21129293 0.39030017 0.00862039
0.29025166 0.27969827 0.31218533
0.28753286 0.17549725 0.17603136
0.25629882 0.56321674 0.97469048
0.24973046 0.65593337 0.01118350
0.23737564 0.73702897 0.95119903
0.26137102 0.55271323 0.87288663
0.25449132 0.63369394 0.81335506
0.24035894 0.72647389 0.84812740
0.25211237 0.88932051 0.77818225
0.21059822 0.95327837 0.70851566
0.21288129 0.05097621 0.73321538
0.31444136 0.92685304 0.85153943
0.31824831 0.02513679 0.87264365
0.26216196 0.08649772 0.81743276
0.21764301 0.82092099 0.01539326
0.18581711 0.92929443 0.60222961
0.12969827 0.08161923 0.91238984
0.89478123 0.08591278 0.77699788
0.89294077 0.91274669 0.86522447
0.06742564 0.89896960 0.90276985
0.97757263 0.14344634 0.19021510
0.95151346 0.83413772 0.18865018
0.83890830 0.83983230 0.32117380
0.64375864 0.21364259 0.56548537
0.65197307 0.02937717 0.24963801
0.53577745 0.15530765 0.26829905
0.53669436 0.25340517 0.41867176
0.01125782 0.86936440 0.61193357
0.74068780 0.50905283 0.27012885
0.79177503 0.61491619 0.13512332
0.91062563 0.66329775 0.00271996
0.95467027 0.45754323 0.98452182
0.60915148 0.30484283 0.01242423
0.72388645 0.47140164 0.77728500
0.60281586 0.40462970 0.65935962
0.22356109 0.17553481 0.51173996
0.34892389 0.33707484 0.81726752
0.18826716 0.34418562 0.76915761
0.12154501 0.27297770 0.60724906
0.06113075 0.58983248 0.25277024
0.80204245 0.90195045 0.73489342
0.65360704 0.79519124 0.84786655
0.54345633 0.81211006 0.68041870
0.70058447 0.86904515 0.57002102
0.93991886 0.63923243 0.70733228
0.68924067 0.53785020 0.55308318
0.73887311 0.36813039 0.57457329
1.00146819 0.18798238 0.96932504
0.70373914 0.23866234 0.78237103
0.70538696 0.15375858 0.94327839
0.85221809 0.13644050 0.04323308
0.62344030 0.09191081 0.74865437
0.43859358 0.35925601 0.99484073
0.40682270 0.43786953 0.09414751
0.52187597 0.58553382 0.15152790
0.65881030 0.54676298 0.02346785
0.47817361 0.50630784 0.69868859
0.45808583 0.76972168 0.85963912
0.39501331 0.84488431 0.70223791
0.16449970 0.74564816 0.26701438
0.21540591 0.67434133 0.62360552
0.06447771 0.62848481 0.53719574
0.03513867 0.67159154 0.36342077
0.64870840 0.34671469 0.25820825
0.15725107 0.40454690 0.23591210
0.36126037 0.39230929 0.23719373
0.34417619 0.28008424 0.08212072
0.13810924 0.27890720 0.08697699
0.24839274 0.66524621 0.09008830
0.26999057 0.48323789 0.83917155
0.26058241 0.62532767 0.73478559
0.17608578 0.09962736 0.68358776
0.35272097 0.87761477 0.89964835
0.36085246 0.05156972 0.93635182
0.25918856 0.16229892 0.83652778
0.29017463 0.12666049 0.32396994
0.09786021 0.13291821 0.10584436
0.91393666 0.86338448 0.01805814
0.95989845 0.04516892 0.58470123
0.03535774 0.79822371 0.79031859
0.77858386 0.98575397 0.39524178
0.72822391 0.34275587 0.11511079
0.78213774 0.57220037 0.89260823
0.88709004 0.57105794 0.31229584
0.08715832 0.58286445 0.06393500
0.47767253 0.28518581 0.69120694
0.86057952 0.72668744 0.80539627
0.63924493 0.67751955 0.55101979
0.68154221 0.97935550 0.91926749
0.58161610 0.99312966 0.59199977
0.85423077 0.30895062 0.69504517
0.45343174 0.43123005 0.81264007
0.53981204 0.69786047 0.99810807
0.48639324 0.26779437 0.18948489
0.68988267 0.53816998 0.22976698
0.35848137 0.76081464 0.53675959
0.27026517 0.56349951 0.19272727
0.19278099 0.36713143 0.92302127
0.28956874 0.30685074 0.39745053
0.29348392 0.09949932 0.13266531
0.22839550 0.79233227 0.77172150
0.00913985 0.98707694 0.09031007
0.97727651 0.89874224 0.66681495
0.75220699 0.41864003 0.96264643
0.00518460 0.59519265 0.20383749
0.77255237 0.68776893 0.65809510
0.62263439 0.01119960 0.75932616
0.50083663 0.58105233 0.87723017
0.60122893 0.39183092 0.22681870
0.24659446 0.48333271 0.03990256
0.28481203 0.18481404 0.27816826
0.80138209 0.22726383 0.29886860
0.95209600 0.24214439 0.31337458
0.87745894 0.18447031 0.43617440
0.79186500 0.99059183 0.57828257
0.62219121 0.18016973 0.70740999
0.78111112 0.13013522 0.64440557
0.39073839 0.31650277 0.96336846
0.47342028 0.12759773 0.82579527
0.52296841 0.15157177 0.97900926
0.39303354 0.14778552 0.45074416
0.36676472 0.05004181 0.57313524
0.48942249 0.14603467 0.58071805
0.85913372 0.43506355 0.84762521
0.07199644 0.55324572 0.72103522
0.03040453 0.47059930 0.84480793
0.99243462 0.20057711 0.68404372
0.08638964 0.19483215 0.81556025
0.04753339 0.33330605 0.74970061
0.33561160 0.47662128 0.56040243
0.48012087 0.49662981 0.52170742
0.37302410 0.58012051 0.44584254
0.35451398 0.89319215 0.36604456
0.32255201 0.79501608 0.24136989
0.42281750 0.75538992 0.35870887
0.29209515 0.84701954 0.07626686
0.14582786 0.79600522 0.07461953
0.19170695 0.90222874 0.96904009
0.26316224 0.90988206 0.55619326
0.14600391 0.00323250 0.55153910
0.12759859 0.84890935 0.58402180
No title
1
14.499722 -0.321024 -0.445562
-0.317149 13.839164 0.025276
-0.445894 0.028763 13.587531
C H O N F
110 60 25 10 30
Direct configuration= 34
0.07801687 0.04319993 0.95341600
0.93013029 0.02183317 0.75903771
0.95189966 0.94476679 0.82672204
0.02401234 0.95805590 0.92291916
0.06748078 0.06364880 0.05416461
0.97504563 0.92671917 0.01345372
0.95674448 -0.00125425 0.66239011
0.99246749 0.86873121 0.76212778
0.96453863 0.98927697 0.17803165
0.94560830 0.07751449 0.21864555
0.88699488 0.08209126 0.29539430
0.93193994 0.90233287 0.21842708
0.87025827 0.90571332 0.29137747
0.84405896 0.99436275 0.32604055
0.71209770 0.05220268 0.39658211
0.70887290 0.10520484 0.48545549
0.64889419 0.18222610 0.49248317
0.65073373 0.07040754 0.31766123
0.58721380 0.14199018 0.32784244
0.58871623 0.19985476 0.41273303
0.87896558 0.18249391 0.33621012
0.76099564 0.07682431 0.56795942
0.84617685 0.47216110 0.09257234
0.85543771 0.57557731 0.13336387
0.92111633 0.60014840 0.05067865
0.89757293 0.50065825 0.00549803
0.77088147 0.40401331 0.06674617
0.81819793 0.49722593 0.92473034
0.91427582 0.58179687 0.22897103
0.01487386 0.59536627 0.10210810
0.67822123 0.39194699 0.90417645
0.59385987 0.34413072 0.94386267
0.54340318 0.27946527 0.86626268
0.67177652 0.42037526 0.80244922
0.60522699 0.38251960 0.73637534
0.53543877 0.31493472 0.76526810
0.38263616 0.26588796 0.68464855
0.34578559 0.21348807 0.60220322
0.25177300 0.21697471 0.57504162
0.32363832 0.30683395 0.74718484
0.23086056 0.31077279 0.71788535
0.19458069 0.27009627 0.62957934
0.51414747 0.18965748 0.88952457
0.39959544 0.14144364 0.55216764
0.75284163 0.83948097 0.73028745
0.66554996 0.85160235 0.79276907
0.60820182 0.85364626 0.69351538
0.68957935 0.82609847 0.63621498
0.80331783 0.74786570 0.74091719
0.69330743 0.72291231 0.60793560
0.65855302 0.95313571 0.83485359
0.59846456 0.95972849 0.67459337
0.80667165 0.59687544 0.64177389
0.89563595 0.57941942 0.67766943
0.92197930 0.48340076 0.69723079
0.75416107 0.52194960 0.59300287
0.78238016 0.42808596 0.60515528
0.85579494 0.40484599 0.67118657
0.85142472 0.26668675 0.78944026
0.93452249 0.24089779 0.83609134
0.93557433 0.20033207 0.93059178
0.76873732 0.23477283 0.82707073
0.76986117 0.18501410 0.91683841
0.85275313 0.17244336 0.97166568
0.00746722 0.49436351 0.75460144
0.01455910 0.24182698 0.77342633
0.55294367 0.44265149 0.95789068
0.47716352 0.43215560 0.12389348
0.54634287 0.51574463 0.12777584
0.58394333 0.52841808 0.02221285
0.49841201 0.47900106 0.87812891
0.54018395 0.61525993 0.96739115
0.51119308 0.35335017 0.17644379
0.61883709 0.48121191 0.20123057
0.46907948 0.63098196 0.79165834
0.45874748 0.58010404 0.70257514
0.41772790 0.61819509 0.61736394
0.44637417 0.72777523 0.79221221
0.41053601 0.76871551 0.70499337
0.39284874 0.71444326 0.61905093
0.27523330 0.72855553 0.49260510
0.26179609 0.74978641 0.39238476
0.17527266 0.72818635 0.34493970
0.20586352 0.68290948 0.54432693
0.12041917 0.66061705 0.49611215
0.10444737 0.68473930 0.39715766
0.40100709 0.54516230 0.53492091
0.34015908 0.79763052 0.34022872
0.21249263 0.39681059 0.18552155
0.29958756 0.34425064 0.22429103
0.29054712 0.27716614 0.13429319
0.19934338 0.32737384 0.09757098
0.24421474 0.49261440 0.14379897
0.21122213 0.39027474 0.00867591
0.29016117 0.27967663 0.31224691
0.28749096 0.17553944 0.17607572
0.25627526 0.56320022 0.97471218
0.24972357 0.65591578 0.01121396
0.23739533 0.73701381 0.95121114
0.26136571 0.55266197 0.87289961
0.25451624 0.63363179 0.81334491
0.24039237 0.72645593 0.84809585
0.25216288 0.88932581 0.77822937
0.21063219 0.95330233 0.70855066
0.21292501 0.05098606 0.73324690
0.31445980 0.92683919 0.85158715
0.31826562 0.02516232 0.87272099
0.26221891 0.08652272 0.81751454
0.21774865 0.82095223 0.01541323
0.18579444 0.92926588 0.60227180
0.12965137 0.08157072 0.91238891
0.89477808 0.08587893 0.77697128
0.89291774 0.91267706 0.86518549
0.06739223 0.89886792 0.90277180
0.97757917 0.14340931 0.19024944
0.95148510 0.83406747 0.18872312
0.83886083 0.83982620 0.32122469
0.64376030 0.21379226 0.56539714
0.65196842 0.02934644 0.24960092
0.53575933 0.15528230 0.26821304
0.53670299 0.25349195 0.41854356
0.01117296 0.86927752 0.61185424
0.74064192 0.50913783 0.27022735
0.79177300 0.61494086 0.13521314
0.91061667 0.66335259 0.00281033
0.95465320 0.45758348 0.98454259
0.60911916 0.30484674 0.01248282
0.72385231 0.47140351 0.77729314
0.60275559 0.40461027 0.65936739
0.22354312 0.17552712 0.51164605
0.34891152 0.33709625 0.81722331
0.18826498 0.34432585 0.76903194
0.12156594 0.27306998 0.60709062
0.06111828 0.58977299 0.25288188
0.80200067 0.90194915 0.73485602
0.65359792 0.79515677 0.84784777
0.54344380 0.81203421 0.68036808
0.70051391 0.86904846 0.56996730
0.93994580 0.63926417 0.70718793
0.68922161 0.53777430 0.55303178
0.73887894 0.36804791 0.57455006
1.00158412 0.18803071 0.96934447
0.70387929 0.23869837 0.78231098
0.70548457 0.15385902 0.94326599
0.85232197 0.13655885 0.04323335
0.62342434 0.09188944 0.74863463
0.43863881 0.35936871 0.99498154
0.40678617 0.43796594 0.09421510
0.52186611 0.58563609 0.15158735
0.65883412 0.54678307 0.02359161
0.47835465 0.50635622 0.69867605
0.45803926 0.76977151 0.85965434
0.39496359 0.84488337 0.70220603
0.16444902 0.74570423 0.26696189
0.21547123 0.67418969 0.62354716
0.06448829 0.62844516 0.53716059
0.03510943 0.67169537 0.36341427
0.64864685 0.34676687 0.25833772
0.15723658 0.40457015 0.23602281
0.36125134 0.39227058 0.23729088
0.34411730 0.28006423 0.08213686
0.13805632 0.27888603 0.08705684
0.24838162 0.66525684 0.09009764
0.26998289 0.48317034 0.83920208
0.26062249 0.62524482 0.73478357
0.17614277 0.09966210 0.68362981
0.35273979 0.87761603 0.89971880
0.36085784 0.05157951 0.93647061
0.25924520 0.16232983 0.83660736
0.29005907 0.12660075 0.32401107
0.09786668 0.13285359 0.10589586
0.91397696 0.86326971 0.01808357
0.95977483 0.04507893 0.58462462
0.03539842 0.79816133 0.79026817
0.77855621 0.98577664 0.39526592
0.72816917 0.34282931 0.11518061
0.78208555 0.57225936 0.89268421
0.88708300 0.57097470 0.31237368
0.08716887 0.58296477 0.06401607
0.47762703 0.28514347 0.69120475
0.86059575 0.72665948 0.80536536
0.63927726 0.67748394 0.55078282
0.68155656 0.97936396 0.91920719
0.58150339 0.99308331 0.59195241
0.85439757 0.30892324 0.69497033
0.45342793 0.43126931 0.81266084
0.53995437 0.69795836 0.99811926
0.48632786 0.26786813 0.18956040
0.68986469 0.53822809 0.22988764
0.35849275 0.76077433 0.53672416
0.27032911 0.56350565 0.19277394
0.19267462 0.36709221 0.92303441
0.28941336 0.30681296 0.39745805
0.29349352 0.09937103 0.13264760
0.22845714 0.79230554 0.77171599
0.00912557 0.98699855 0.09033911
0.97720688 0.89864730 0.66675873
0.75220051 0.41864324 0.96267215
0.00517314 0.59515099 0.20393274
0.77255021 0.68774298 0.65797534
0.62261651 0.01118584 0.75927980
0.50089067 0.58110318 0.87725597
0.60114897 0.39189788 0.22691081
0.24654960 0.48330546 0.03993433
0.28471923 0.18479683 0.27823725
0.80135995 0.22727325 0.29895571
0.95206868 0.24217190 0.31337447
0.87751495 0.18448214 0.43623526
0.79173161 0.99061246 0.57833387
0.62217664 0.18020070 0.70744572
0.78101434 0.13019499 0.64446559
0.39069084 0.31653774 0.96338470
0.47347476 0.12753693 0.82578487
0.52296693 0.15152138 0.97902717
0.39295386 0.14771305 0.45065925
0.36685877 0.04997783 0.57313091
0.48944835 0.14611628 0.58058118
0.85908121 0.43516850 0.84757777
0.07200301 0.55321033 0.72100795
0.03037633 0.47059521 0.84477306
0.99260662 0.20040004 0.68406467
0.08656969 0.19500976 0.81564660
0.04754538 0.33333867 0.74951535
0.33562023 0.47664168 0.56032007
0.48015669 0.49654188 0.52172579
0.37317433 0.58011189 0.44578244
0.35450580 0.89321054 0.36603452
0.32254411 0.79503472 0.24132058
0.42281217 0.75538728 0.35867010
0.29223850 0.84708395 0.07615166
0.14600201 0.79603761 0.07474315
0.19170262 0.90222614 0.96904493
0.26311721 0.90988000 0.55616926
0.14592349 0.00318497 0.55158581
0.12760722 0.84884492 0.58412391
No title
1
14.500518 -0.321235 -0.446556
-0.317457 13.836901 0.024058
-0.446958 0.027553 13.584897
C H O N F
110 60 25 10 30
Direct configuration= 35
0.07797639 0.04308231 0.95343134
0.93008714 0.02180004 0.75897883
0.95188929 0.94462993 0.82670379
0.02397538 0.95791440 0.92293707
0.06745003 0.06350436 0.05420883
0.97503105 0.92654605 0.01348876
0.95661664 -0.00139238 0.66227858
0.99244990 0.86861249 0.76204856
0.96451769 0.98917091 0.17809525
0.94560169 0.07748119 0.21870039
0.88696688 0.08208758 0.29544559
0.93190401 0.90225726 0.21851568
0.87019079 0.90568295 0.29147116
0.84401946 0.99436654 0.32609243
0.71206098 0.05225518 0.39657390
0.70880724 0.10532773 0.48542145
0.64888242 0.18238957 0.49234868
0.65069906 0.07041245 0.31757056
0.58721307 0.14199799 0.32771694
0.58871028 0.19998070 0.41257135
0.87896624 0.18251800 0.33627940
0.76085382 0.07693179 0.56802201
0.84616790 0.47219904 0.09263443
0.85542090 0.57560617 0.13349139
0.92110163 0.60021228 0.05081214
0.89754269 0.50072456 0.00556191
0.77084800 0.40407706 0.06680917
0.81815676 0.49729066 0.92477972
0.91426079 0.58172704 0.22911691
0.01486881 0.59542962 0.10225197
0.67819067 0.39196728 0.90424106
0.59380711 0.34410999 0.94396857
0.54333468 0.27944490 0.86630164
0.67171022 0.42036039 0.80248838
0.60516589 0.38250819 0.73636405
0.53536023 0.31484706 0.76531120
0.38258700 0.26583485 0.68460261
0.34573246 0.21341546 0.60211140
0.25175920 0.21694120 0.57490519
0.32360876 0.30684493 0.74708206
0.23085246 0.31089457 0.71771659
0.19459220 0.27016747 0.62937525
0.51415412 0.18959965 0.88956012
0.39960357 0.14139642 0.55204585
0.75277984 0.83947102 0.73018262
0.66551138 0.85152779 0.79270920
0.60815673 0.85356361 0.69342976
0.68951396 0.82605989 0.63610261
0.80340367 0.74778243 0.74090142
0.69328198 0.72285153 0.60765083
0.65854052 0.95312368 0.83477604
0.59835312 0.95965807 0.67451254
0.80668552 0.59683751 0.64159065
0.89567228 0.57943079 0.67747279
0.92205028 0.48344224 0.69708476
0.75414211 0.52186713 0.59290341
0.78238867 0.42797357 0.60508670
0.85587643 0.40480955 0.67105970
0.85168470 0.26671707 0.78934364
0.93471308 0.24095316 0.83605924
0.93580971 0.20041718 0.93059672
0.76897249 0.23484463 0.82697093
0.77007172 0.18514100 0.91680531
0.85294350 0.17260524 0.97161664
0.00744625 0.49435004 0.75449862
0.01480580 0.24185077 0.77339957
0.55295002 0.44272261 0.95795210
0.47707459 0.43229471 0.12398950
0.54631157 0.51590296 0.12789753
0.58397686 0.52849352 0.02233452
0.49844377 0.47907018 0.87819353
0.54032401 0.61536141 0.96744041
0.51109918 0.35347574 0.17658588
0.61876308 0.48132557 0.20140572
0.46917442 0.63106886 0.79166735
0.45893746 0.58015930 0.70255144
0.41786612 0.61816709 0.61732093
0.44635605 0.72780920 0.79221385
0.41049627 0.76872389 0.70495403
0.39288066 0.71441328 0.61901517
0.27526347 0.72847999 0.49251767
0.26176172 0.74976304 0.39230365
0.17522386 0.72824502 0.34485950
0.20590298 0.68276441 0.54421054
0.12043077 0.66056221 0.49605392
0.10442481 0.68482055 0.39709971
0.40114582 0.54512543 0.53485934
0.34014555 0.79764608 0.34014882
0.21242865 0.39681692 0.18567780
0.29956102 0.34421410 0.22439913
0.29046610 0.27709644 0.13435187
0.19926499 0.32734487 0.09764455
0.24420157 0.49251973 0.14381507
0.21111475 0.39024692 0.00886916
0.28998962 0.27959937 0.31226910
0.28742365 0.17548563 0.17613876
0.25623108 0.56313436 0.97477158
0.24971034 0.65590487 0.01122678
0.23743523 0.73698215 0.95120358
0.26135646 0.55257579 0.87291609
0.25455484 0.63355119 0.81334960
0.24045561 0.72638338 0.84809070
0.25221368 0.88931004 0.77825973
0.21069925 0.95332006 0.70862973
0.21301261 0.05102424 0.73332691
0.31452955 0.92686790 0.85171948
0.31830783 0.02516044 0.87286112
0.26229586 0.08656919 0.81762875
0.21790103 0.82098890 0.01542184
0.18576050 0.92922089 0.60233666
0.12955340 0.08147465 0.91239987
0.89479098 0.08578346 0.77691853
0.89290293 0.91256673 0.86509973
0.06733175 0.89868838 0.90277397
0.97759248 0.14334754 0.19030826
0.95143233 0.83395273 0.18885590
0.83877456 0.83980984 0.32131738
0.64376067 0.21406740 0.56526190
0.65196124 0.02929459 0.24954200
0.53572098 0.15523938 0.26805280
0.53672355 0.25364004 0.41831485
0.01101414 0.86912686 0.61172672
0.74060552 0.50925859 0.27044031
0.79177549 0.61498163 0.13537224
0.91060024 0.66345315 0.00296921
0.95463326 0.45764634 0.98457484
0.60905900 0.30487002 0.01256257
0.72377590 0.47139048 0.77731490
0.60264955 0.40457132 0.65939483
0.22350700 0.17550548 0.51146948
0.34889384 0.33713959 0.81715779
0.18827521 0.34456438 0.76879232
0.12159580 0.27323364 0.60680750
0.06108645 0.58966775 0.25306826
0.80192576 0.90194316 0.73478986
0.65358772 0.79511448 0.84779524
0.54340445 0.81188598 0.68027569
0.70039182 0.86906895 0.56985091
0.93999242 0.63932232 0.70693185
0.68919542 0.53764029 0.55294656
0.73889654 0.36791205 0.57451341
1.00177069 0.18812140 0.96936677
0.70409909 0.23876414 0.78218488
0.70569277 0.15405476 0.94322809
0.85250675 0.13674842 0.04327504
0.62339567 0.09185738 0.74859891
0.43860450 0.35946856 0.99515843
0.40672850 0.43813905 0.09433967
0.52185444 0.58579460 0.15168319
0.65886814 0.54681741 0.02381048
0.47867898 0.50643161 0.69865202
0.45795595 0.76985734 0.85967622
0.39487516 0.84488493 0.70214941
0.16436099 0.74580118 0.26688525
0.21558854 0.67391858 0.62345969
0.06452090 0.62838265 0.53708683
0.03503183 0.67187538 0.36339009
0.64850110 0.34688907 0.25854527
0.15728190 0.40460354 0.23615044
0.36120278 0.39217201 0.23745798
0.34401436 0.28003341 0.08216307
0.13795443 0.27884496 0.08720509
0.24836095 0.66527597 0.09014171
0.26996952 0.48304968 0.83925781
0.26069591 0.62509462 0.73476311
0.17624429 0.09972466 0.68370217
0.35276932 0.87761936 0.89983956
0.36086590 0.05159573 0.93667976
0.25934590 0.16238631 0.83674915
0.28985245 0.12651166 0.32407592
0.09788228 0.13274790 0.10599279
0.91402013 0.86303804 0.01813092
0.95955414 0.04491469 0.58449382
0.03544422 0.79809202 0.79016449
0.77850678 0.98581511 0.39531007
0.72807162 0.34295933 0.11530510
0.78198883 0.57236796 0.89281788
0.88705866 0.57082341 0.31254730
0.08715157 0.58314773 0.06417615
0.47758359 0.28508277 0.69121487
0.86046810 0.72667019 0.80513492
0.63942130 0.67749931 0.55045856
0.68159433 0.97938571 0.91914101
0.58130364 0.99300020 0.59186377
0.85469103 0.30888611 0.69483510
0.45341952 0.43134726 0.81270129
0.54020714 0.69812806 0.99813688
0.48621002 0.26800041 0.18969409
0.68979656 0.53837483 0.23006564
0.35849387 0.76070558 0.53663980
0.27045997 0.56357081 0.19290494
0.19246716 0.36700035 0.92297575
0.28914012 0.30679420 0.39759571
0.29350116 0.09926999 0.13268712
0.22856828 0.79229330 0.77169182
0.00910045 0.98687168 0.09041154
0.97709007 0.89847917 0.66662225
0.75215936 0.41863526 0.96270000
0.00515753 0.59507551 0.20411548
0.77254598 0.68773877 0.65778990
0.62258472 0.01113115 0.75919645
0.50098514 0.58119570 0.87729688
0.60107012 0.39201960 0.22710285
0.24647315 0.48328089 0.03998341
0.28455606 0.18471340 0.27829600
0.80132194 0.22729015 0.29910958
0.95202484 0.24222488 0.31337194
0.87761421 0.18450399 0.43633536
0.79149073 0.99065511 0.57842465
0.62215108 0.18025755 0.70750922
0.78083445 0.13027646 0.64453559
0.39072525 0.31670687 0.96349352
0.47355520 0.12740576 0.82574288
0.52296193 0.15142849 0.97905945
0.39281187 0.14758424 0.45051438
0.36703111 0.04988040 0.57312009
0.48947235 0.14626010 0.58033068
0.85898825 0.43535545 0.84749139
0.07208872 0.55321106 0.72092553
0.03032810 0.47059741 0.84469489
0.99292385 0.20010522 0.68414918
0.08689820 0.19532097 0.81580907
0.04756227 0.33338518 0.74918955
0.33563953 0.47667900 0.56017109
0.48023285 0.49637636 0.52175356
0.37343832 0.58009939 0.44565855
0.35448495 0.89322760 0.36601312
0.32252486 0.79506751 0.24122720
0.42277999 0.75539047 0.35859679
0.29252176 0.84721269 0.07597313
0.14631480 0.79609826 0.07496732
0.19169688 0.90222298 0.96905532
0.26303186 0.90987627 0.55613109
0.14578129 0.00309618 0.55167173
0.12762378 0.84873025 0.58430788
No title
1
14.500798 -0.321324 -0.446721
-0.317576 13.836244 0.023647
-0.447155 0.027150 13.584114
C H O N F
110 60 25 10 30
Direct configuration= 36
0.07796091 0.04305101 0.95343826
0.93009645 0.02175138 0.75895949
0.95188495 0.94461626 0.82668942
0.02396595 0.95787940 0.92293827
0.06744929 0.06348758 0.05423389
0.97503804 0.92651859 0.01349713
0.95658449 -0.00142306 0.66226549
0.99244782 0.86858518 0.76202316
0.96451196 0.98915941 0.17811335
0.94559445 0.07745820 0.21871711
0.88696643 0.08209247 0.29545157
0.93188959 0.90223610 0.21854269
0.87018374 0.90567982 0.29148312
0.84400877 0.99436325 0.32610529
0.71204753 0.05226752 0.39656356
0.70879960 0.10534872 0.48541850
0.64887421 0.18243396 0.49232362
0.65070156 0.07040979 0.31756174
0.58720146 0.14200685 0.32768170
0.58871336 0.20000378 0.41253424
0.87896432 0.18252146 0.33629692
0.76082010 0.07694634 0.56802707
0.84616225 0.47220411 0.09264776
0.85541897 0.57561262 0.13352049
0.92109580 0.60022873 0.05083959
0.89753801 0.50073684 0.00557327
0.77083632 0.40408571 0.06682883
0.81814051 0.49731767 0.92478229
0.91425871 0.58171067 0.22915884
0.01485902 0.59544489 0.10229488
0.67816627 0.39196087 0.90425332
0.59379597 0.34411973 0.94397544
0.54332214 0.27944195 0.86631723
0.67169299 0.42035935 0.80248236
0.60515137 0.38249490 0.73639308
0.53535220 0.31484036 0.76531119
0.38257689 0.26581480 0.68458007
0.34573364 0.21340047 0.60209728
0.25175222 0.21692907 0.57486808
0.32360034 0.30685537 0.74707376
0.23084813 0.31091595 0.71766706
0.19459336 0.27019147 0.62934278
0.51415002 0.18957618 0.88956456
0.39960116 0.14138412 0.55202163
0.75277330 0.83945165 0.73016434
0.66550507 0.85151954 0.79269256
0.60813950 0.85354449 0.69341053
0.68950304 0.82604754 0.63607359
0.80329528 0.74782704 0.74076815
0.69331395 0.72286996 0.60763106
0.65853583 0.95311126 0.83475211
0.59832904 0.95963878 0.67449601
0.80668324 0.59683640 0.64154934
0.89568173 0.57943998 0.67742823
0.92205340 0.48343779 0.69704711
0.75414308 0.52183762 0.59288311
0.78239190 0.42795539 0.60507262
0.85589727 0.40480702 0.67103236
0.85172575 0.26672536 0.78931850
0.93477878 0.24096012 0.83605934
0.93584757 0.20044087 0.93058606
0.76902911 0.23485774 0.82695497
0.77010783 0.18517512 0.91678305
0.85299770 0.17263323 0.97162585
0.00745924 0.49435476 0.75448230
0.01485091 0.24185766 0.77338817
0.55295637 0.44273334 0.95797188
0.47707261 0.43232411 0.12401989
0.54630128 0.51592894 0.12792415
0.58398344 0.52850975 0.02235940
0.49844369 0.47907967 0.87819643
0.54035523 0.61540411 0.96745776
0.51107646 0.35351478 0.17661293
0.61874606 0.48135186 0.20144341
0.46919725 0.63108193 0.79166964
0.45898117 0.58016910 0.70254614
0.41789677 0.61816298 0.61731044
0.44635122 0.72782749 0.79221859
0.41048923 0.76872284 0.70494797
0.39288648 0.71440499 0.61900416
0.27526396 0.72846112 0.49249317
0.26176076 0.74976037 0.39228680
0.17521196 0.72825903 0.34483803
0.20591742 0.68273184 0.54419857
0.12043171 0.66055213 0.49603085
0.10441474 0.68483540 0.39709219
0.40117100 0.54511761 0.53484631
0.34014213 0.79764774 0.34013595
0.21242793 0.39680843 0.18570105
0.29954390 0.34420399 0.22441155
0.29045265 0.27709088 0.13436508
0.19924195 0.32733203 0.09767756
0.24423925 0.49261567 0.14389505
0.21106060 0.39020693 0.00873781
0.28995158 0.27959964 0.31234012
0.28741127 0.17539853 0.17611912
0.25622304 0.56312809 0.97476573
0.24970779 0.65589547 0.01123751
0.23744409 0.73697949 0.95119985
0.26135383 0.55255617 0.87293288
0.25456453 0.63352886 0.81334239
0.24046824 0.72637764 0.84808939
0.25223778 0.88931769 0.77828301
0.21071183 0.95331651 0.70863903
0.21303498 0.05104285 0.73335152
0.31453197 0.92686163 0.85173119
0.31832358 0.02517149 0.87290280
0.26230921 0.08657434 0.81764726
0.21792894 0.82099681 0.01542153
0.18575404 0.92921180 0.60235453
0.12953507 0.08145675 0.91239887
0.89478442 0.08578046 0.77691213
0.89289718 0.91253979 0.86508192
0.06731840 0.89865003 0.90277570
0.97759848 0.14333967 0.19031882
0.95142046 0.83392802 0.18888534
0.83875390 0.83980323 0.32133963
0.64376076 0.21412654 0.56522804
0.65195903 0.02928140 0.24952620
0.53571758 0.15522885 0.26802254
0.53672562 0.25367495 0.41826386
0.01098627 0.86908684 0.61168668
0.74059305 0.50928883 0.27048417
0.79177510 0.61499085 0.13540767
0.91059677 0.66347414 0.00300614
0.95462694 0.45766139 0.98458241
0.60904740 0.30487006 0.01258935
0.72375746 0.47138615 0.77732140
0.60262647 0.40456649 0.65938645
0.22350023 0.17550083 0.51143267
0.34888811 0.33714729 0.81713775
0.18827747 0.34461831 0.76874010
0.12160323 0.27326953 0.60674402
0.06108243 0.58964405 0.25311245
0.80191023 0.90194432 0.73477414
0.65358490 0.79510206 0.84778568
0.54339864 0.81185538 0.68025551
0.70036484 0.86907242 0.56982613
0.94000230 0.63933334 0.70687334
0.68918684 0.53761120 0.55292663
0.73889938 0.36788000 0.57450466
1.00182003 0.18814100 0.96937618
0.70414734 0.23877886 0.78215623
0.70574064 0.15409816 0.94321986
0.85254763 0.13679493 0.04327562
0.62338873 0.09184806 0.74859113
0.43859667 0.35949109 0.99519812
0.40670698 0.43817850 0.09436442
0.52185125 0.58583295 0.15170495
0.65887626 0.54682479 0.02385819
0.47875113 0.50645013 0.69864766
0.45793680 0.76987261 0.85967629
0.39485524 0.84488682 0.70213711
0.16434191 0.74582326 0.26687005
0.21561340 0.67385902 0.62343227
0.06452679 0.62836753 0.53707158
0.03501682 0.67191643 0.36338532
0.64847428 0.34691158 0.25859549
0.15728402 0.40461292 0.23618575
0.36119692 0.39215437 0.23749620
0.34399031 0.28002575 0.08216888
0.13793432 0.27883717 0.08723618
0.24835665 0.66527884 0.09015081
0.26996626 0.48302186 0.83926903
0.26071189 0.62506302 0.73476282
0.17626727 0.09973704 0.68371843
0.35277910 0.87761833 0.89986918
0.36086472 0.05159712 0.93672109
0.25936821 0.16239979 0.83678118
0.28980598 0.12649348 0.32408934
0.09787867 0.13271047 0.10600233
0.91402114 0.86297788 0.01814140
0.95950500 0.04488024 0.58445942
0.03545210 0.79807655 0.79014212
0.77849519 0.98582496 0.39532219
0.72805424 0.34299423 0.11532768
0.78197283 0.57238011 0.89285405
0.88705450 0.57079084 0.31257721
0.08715756 0.58318634 0.06420516
0.47757137 0.28506748 0.69121770
0.86054785 0.72662787 0.80520417
0.63942170 0.67747705 0.55035248
0.68160514 0.97939401 0.91913294
0.58125955 0.99298297 0.59184430
0.85475789 0.30887793 0.69480388
0.45342240 0.43136883 0.81271642
0.54026328 0.69814754 0.99813383
0.48618225 0.26802456 0.18972560
0.68978613 0.53840281 0.23010944
0.35849887 0.76069077 0.53662451
0.27045343 0.56348758 0.19286780
0.19245133 0.36701718 0.92310917
0.28907980 0.30677570 0.39757515
0.29349863 0.09931119 0.13273135
0.22859166 0.79227993 0.77168950
0.00909701 0.98684191 0.09041838
0.97705366 0.89845438 0.66661614
0.75216499 0.41864047 0.96271542
0.00514696 0.59505832 0.20414926
0.77255197 0.68772438 0.65774637
0.62257601 0.01112602 0.75917506
0.50100707 0.58121881 0.87730741
0.60104558 0.39205440 0.22713991
0.24644973 0.48325910 0.04000805
0.28451937 0.18469373 0.27829845
0.80131408 0.22729336 0.29914362
0.95201547 0.24223651 0.31337120
0.87763655 0.18450933 0.43635601
0.79143363 0.99067299 0.57844407
0.62214573 0.18026971 0.70752356
0.78079679 0.13029827 0.64455462
0.39073176 0.31674384 0.96351838
0.47357610 0.12738301 0.82573971
0.52296152 0.15140997 0.97906516
0.39278069 0.14755531 0.45048252
0.36707127 0.04986205 0.57311726
0.48947781 0.14629215 0.58027460
0.85896680 0.43539908 0.84747376
0.07210070 0.55320566 0.72091116
0.03031611 0.47059771 0.84467257
0.99299775 0.20004185 0.68417443
0.08697281 0.19538919 0.81584654
0.04756581 0.33339273 0.74911717
0.33564637 0.47668972 0.56013736
0.48025247 0.49633812 0.52175955
0.37349841 0.58009654 0.44563291
0.35447974 0.89323081 0.36600749
0.32251937 0.79507552 0.24120325
0.42277157 0.75539218 0.35857899
0.29258829 0.84724331 0.07593523
0.14638700 0.79611248 0.07501700
0.19169625 0.90221969 0.96905849
0.26301299 0.90987580 0.55612276
0.14574890 0.00307673 0.55169070
0.12762854 0.84870449 0.58434958
No title
1
14.501733 -0.321522 -0.447662
-0.317881 13.833762 0.022373
-0.448183 0.025885 13.581184
C H O N F
110 60 25 10 30
Direct configuration= 37
0.07789711 0.04292469 0.95348295
0.93009961 0.02160547 0.75889070
0.95187498 0.94452384 0.82663714
0.02391926 0.95771189 0.92293945
0.06743455 0.06336754 0.05429273
0.97502931 0.92634310 0.01353595
0.95643778 -0.00156498 0.66218107
0.99242685 0.86846068 0.76193085
0.96448390 0.98907354 0.17819339
0.94557839 0.07738910 0.21877977
0.88694723 0.08209682 0.29549704
0.93183916 0.90214792 0.21864857
0.87013126 0.90564631 0.29156073
0.84396236 0.99436601 0.32616442
0.71199703 0.05232236 0.39653370
0.70874473 0.10546540 0.48539114
0.64885461 0.18262501 0.49220871
0.65069073 0.07040627 0.31749643
0.58717017 0.14203415 0.32752991
0.58871248 0.20012476 0.41235180
0.87896031 0.18254409 0.33637428
0.76066204 0.07703431 0.56805970
0.84614229 0.47224379 0.09270590
0.85540902 0.57564380 0.13365947
0.92107272 0.60030330 0.05097608
0.89752227 0.50079547 0.00563289
0.77078589 0.40413234 0.06690495
0.81807725 0.49741174 0.92481583
0.91424585 0.58163563 0.22932809
0.01484043 0.59551180 0.10246675
0.67808334 0.39195421 0.90431057
0.59374215 0.34414638 0.94403248
0.54325368 0.27941066 0.86638660
0.67162623 0.42035149 0.80250405
0.60506573 0.38244183 0.73645088
0.53531132 0.31479525 0.76533006
0.38252868 0.26574779 0.68451678
0.34571337 0.21331594 0.60200487
0.25172685 0.21689143 0.57472190
0.32355823 0.30688400 0.74699158
0.23084710 0.31103716 0.71747926
0.19459579 0.27027639 0.62914258
0.51414188 0.18949504 0.88958498
0.39959467 0.14132975 0.55190197
0.75272048 0.83940865 0.73006165
0.66546899 0.85146946 0.79261476
0.60806664 0.85344748 0.69332022
0.68944201 0.82601216 0.63593425
0.80328416 0.74779244 0.74064929
0.69332519 0.72283587 0.60737629
0.65852727 0.95307897 0.83468057
0.59821158 0.95955992 0.67439860
0.80670272 0.59679814 0.64136054
0.89571406 0.57946737 0.67721732
0.92208073 0.48343951 0.69687357
0.75413339 0.52172327 0.59278260
0.78240925 0.42785431 0.60500655
0.85599031 0.40478813 0.67090085
0.85196320 0.26675572 0.78921925
0.93504349 0.24101481 0.83601927
0.93605581 0.20054098 0.93056958
0.76926562 0.23492996 0.82684848
0.77032632 0.18532540 0.91671664
0.85321277 0.17277739 0.97163362
0.00750901 0.49438566 0.75437677
0.01507655 0.24188509 0.77335745
0.55298378 0.44278943 0.95805989
0.47702750 0.43247719 0.12413993
0.54626027 0.51605549 0.12804896
0.58401373 0.52858957 0.02247977
0.49847051 0.47916266 0.87825386
0.54050302 0.61552114 0.96751092
0.51097152 0.35366023 0.17675395
0.61867927 0.48150027 0.20162095
0.46930357 0.63115392 0.79168328
0.45918858 0.58021349 0.70252394
0.41803947 0.61814955 0.61726204
0.44632856 0.72789417 0.79222624
0.41045552 0.76872806 0.70492434
0.39291419 0.71436116 0.61894869
0.27526947 0.72836735 0.49240062
0.26174844 0.74974934 0.39218805
0.17516120 0.72832179 0.34475661
0.20597577 0.68258046 0.54411388
0.12044769 0.66050306 0.49594367
0.10436541 0.68491043 0.39703762
0.40130009 0.54507718 0.53477798
0.34011955 0.79765503 0.34007064
0.21243391 0.39680223 0.18579352
0.29946208 0.34414479 0.22449947
0.29037399 0.27704071 0.13442468
0.19914531 0.32729114 0.09779108
0.24423917 0.49257883 0.14397881
0.21093177 0.39016186 0.00883189
0.28977810 0.27952371 0.31240433
0.28733662 0.17534427 0.17619717
0.25617888 0.56307090 0.97479936
0.24969616 0.65586561 0.01127374
0.23748558 0.73696155 0.95120304
0.26134365 0.55246637 0.87297136
0.25460896 0.63342785 0.81332835
0.24053099 0.72633330 0.84806957
0.25232362 0.88932766 0.77835772
0.21077683 0.95332764 0.70870220
0.21312601 0.05109372 0.73343495
0.31457443 0.92685568 0.85182630
0.31837452 0.02520532 0.87306513
0.26239565 0.08661398 0.81777168
0.21807383 0.82103327 0.01542578
0.18572214 0.92916556 0.60243565
0.12944015 0.08136539 0.91239993
0.89477654 0.08572545 0.77687032
0.89286972 0.91241155 0.86499690
0.06725484 0.89846625 0.90278349
0.97761851 0.14328631 0.19037565
0.95136437 0.83380979 0.18902336
0.83866171 0.83978108 0.32143962
0.64375928 0.21440857 0.56507349
0.65194980 0.02922047 0.24945588
0.53569189 0.15518220 0.26786862
0.53673936 0.25383573 0.41802354
0.01083355 0.86891659 0.61153048
0.74053161 0.50943171 0.27068908
0.79177292 0.61503325 0.13557571
0.91057942 0.66357625 0.00317738
0.95459661 0.45773151 0.98461600
0.60899046 0.30487778 0.01270281
0.72367650 0.47137193 0.77734680
0.60251880 0.40453393 0.65937912
0.22346522 0.17547258 0.51125136
0.34886671 0.33719107 0.81705914
0.18828841 0.34487011 0.76848939
0.12164086 0.27343970 0.60644797
0.06105386 0.58953316 0.25331245
0.80183655 0.90194350 0.73470185
0.65357347 0.79504571 0.84773843
0.54336915 0.81170929 0.68016009
0.70023761 0.86908677 0.56971127
0.94005142 0.63939382 0.70660287
0.68915122 0.53747214 0.55283622
0.73891480 0.36773143 0.57446466
1.00203783 0.18823547 0.96941132
0.70438691 0.23884705 0.78203004
0.70595477 0.15429835 0.94318286
0.85274213 0.13700861 0.04329001
0.62335579 0.09180993 0.74855345
0.43858302 0.35961875 0.99540228
0.40662359 0.43836163 0.09448809
0.52183627 0.58601323 0.15180808
0.65891489 0.54685924 0.02408255
0.47909129 0.50653665 0.69862595
0.45784816 0.76995285 0.85968855
0.39476204 0.84489198 0.70207899
0.16425080 0.74593016 0.26678955
0.21573211 0.67357711 0.62331741
0.06455445 0.62829634 0.53699870
0.03494861 0.67211034 0.36336468
0.64834261 0.34702344 0.25882877
0.15728913 0.40465524 0.23635602
0.36116883 0.39207063 0.23767522
0.34387953 0.27999164 0.08219753
0.13783410 0.27879814 0.08738816
0.24833532 0.66529560 0.09019118
0.26995155 0.48289648 0.83932263
0.26078765 0.62491372 0.73475341
0.17637513 0.09979678 0.68379621
0.35281957 0.87761704 0.90000186
0.36086941 0.05160980 0.93693006
0.25947250 0.16245750 0.83692935
0.28958586 0.12640822 0.32415065
0.09787932 0.13257128 0.10608096
0.91406242 0.86273237 0.01818877
0.95927181 0.04471115 0.58431174
0.03549779 0.79799762 0.79003488
0.77844174 0.98586808 0.39537558
0.72796307 0.34314318 0.11544673
0.78187977 0.57247057 0.89301076
0.88702938 0.57063485 0.31274317
0.08715450 0.58337431 0.06436175
0.47751373 0.28499540 0.69122338
0.86049269 0.72660120 0.80504933
0.63953722 0.67746815 0.54997504
0.68164566 0.97941961 0.91905830
0.58105324 0.99289527 0.59176150
0.85506996 0.30883987 0.69465670
0.45340973 0.43144521 0.81275235
0.54052777 0.69831509 0.99814810
0.48605870 0.26815997 0.18987081
0.68973532 0.53853088 0.23031458
0.35852002 0.76062109 0.53654939
0.27057048 0.56349694 0.19295925
0.19225300 0.36694357 0.92313426
0.28879289 0.30674918 0.39768879
0.29350775 0.09920060 0.13276753
0.22870361 0.79223588 0.77167795
0.00907592 0.98670501 0.09046806
0.97691050 0.89830375 0.66652018
0.75216081 0.41865149 0.96277073
0.00511507 0.59497597 0.20432763
0.77255440 0.68771513 0.65755636
0.62253654 0.01108973 0.75908139
0.50110875 0.58132067 0.87735214
0.60093270 0.39219509 0.22732340
0.24636602 0.48321881 0.04006774
0.28434451 0.18459649 0.27835250
0.80127663 0.22730793 0.29930404
0.95197020 0.24229089 0.31336847
0.87774120 0.18453384 0.43645801
0.79117049 0.99073758 0.57853792
0.62212065 0.18032590 0.70759178
0.78061926 0.13040178 0.64464278
0.39073630 0.31689516 0.96361404
0.47366696 0.12726639 0.82571609
0.52296034 0.15131922 0.97909920
0.39263281 0.14742051 0.45033333
0.36725769 0.04976986 0.57310672
0.48950679 0.14644206 0.58001254
0.85886756 0.43560291 0.84738601
0.07215310 0.55317678 0.72084566
0.03026440 0.47059452 0.84458685
0.99334088 0.19973718 0.68427893
0.08732229 0.19571304 0.81601984
0.04758320 0.33343441 0.74877594
0.33567540 0.47673739 0.55997958
0.48034055 0.49616039 0.52178886
0.37378092 0.58008350 0.44551312
0.35445608 0.89325034 0.36598282
0.32249305 0.79511181 0.24109263
0.42273667 0.75539799 0.35849553
0.29289392 0.84738600 0.07575136
0.14672556 0.79617946 0.07525274
0.19169130 0.90220890 0.96907171
0.26292604 0.90987401 0.55608187
0.14559682 0.00298562 0.55178143
0.12765002 0.84858162 0.58454522
No title
1
14.502388 -0.321621 -0.448208
-0.318048 13.832356 0.021514
-0.448785 0.025033 13.579532
C H O N F
110 60 25 10 30
Direct configuration= 38
0.07786518 0.04284037 0.95348481
0.93005662 0.02159917 0.75888296
0.95187630 0.94443030 0.82661220
0.02388874 0.95762222 0.92295160
0.06740842 0.06326587 0.05432357
0.97500259 0.92620965 0.01355876
0.95635590 -0.00165775 0.66207957
0.99239447 0.86841131 0.76187377
0.96446993 0.98899552 0.17823156
0.94558168 0.07738034 0.21880890
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No title
1
14.502878 -0.321709 -0.448860
-0.318204 13.830827 0.020673
-0.449485 0.024197 13.577740
C H O N F
110 60 25 10 30
Direct configuration= 39
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0.48954516 0.14662657 0.57968857
0.85874451 0.43585987 0.84727139
0.07224849 0.55317211 0.72075141
0.03020901 0.47058814 0.84449176
0.99376063 0.19934300 0.68438320
0.08774232 0.19612603 0.81622775
0.04760248 0.33349044 0.74835031
0.33570379 0.47678909 0.55978803
0.48043791 0.49594687 0.52183157
0.37413178 0.58007161 0.44536095
0.35442519 0.89327633 0.36595290
0.32245944 0.79515731 0.24097581
0.42270075 0.75540188 0.35838921
0.29325330 0.84755995 0.07550193
0.14714441 0.79626286 0.07555559
0.19167819 0.90220027 0.96908259
0.26282023 0.90987511 0.55603074
0.14540832 0.00286851 0.55190082
0.12768197 0.84843098 0.58479080
No title
1
14.503450 -0.321823 -0.449249
-0.318374 13.829615 0.020005
-0.449928 0.023536 13.576252
C H O N F
110 60 25 10 30
Direct configuration= 40
0.07779780 0.04269639 0.95351578
0.93004861 0.02145052 0.75881238
0.95185653 0.94430540 0.82655938
0.02384169 0.95744615 0.92296416
0.06738339 0.06313302 0.05439889
0.97500493 0.92603349 0.01359840
0.95619797 -0.00183853 0.66198361
0.99238425 0.86825015 0.76176835
0.96443996 0.98890479 0.17831460
0.94555912 0.07729952 0.21888381
0.88690832 0.08208994 0.29558317
0.93175801 0.90200068 0.21882162
0.87002207 0.90558969 0.29171598
0.84388625 0.99436403 0.32626692
0.71191693 0.05241941 0.39650083
0.70862748 0.10568727 0.48533435
0.64881968 0.18294477 0.49197625
0.65064626 0.07040564 0.31735560
0.58714601 0.14206636 0.32728385
0.58870744 0.20034472 0.41204627
0.87896199 0.18258831 0.33650100
0.76039336 0.07722222 0.56814328
0.84611269 0.47230719 0.09281780
0.85538117 0.57569241 0.13389763
0.92104269 0.60042622 0.05122366
0.89746627 0.50090827 0.00573660
0.77071434 0.40423562 0.06703026
0.81798450 0.49756013 0.92489584
0.91420939 0.58150158 0.22961933
0.01479910 0.59562760 0.10275221
0.67799301 0.39197300 0.90441728
0.59364719 0.34414517 0.94419031
0.54313362 0.27937081 0.86648937
0.67149724 0.42032215 0.80256184
0.60494330 0.38239061 0.73647979
0.53520637 0.31467542 0.76538365
0.38244743 0.26563959 0.68442098
0.34564324 0.21318065 0.60185471
0.25169371 0.21681835 0.57446854
0.32350548 0.30692412 0.74683074
0.23084058 0.31125497 0.71715200
0.19461694 0.27041407 0.62878033
0.51413910 0.18937291 0.88964251
0.39960122 0.14124439 0.55168689
0.75261770 0.83936118 0.72987229
0.66540779 0.85135736 0.79248332
0.60796801 0.85328426 0.69315694
0.68933042 0.82594315 0.63570595
0.80319268 0.74775553 0.74036508
0.69336959 0.72280506 0.60695485
0.65850672 0.95303951 0.83454019
0.59800357 0.95942682 0.67424165
0.80672089 0.59673701 0.64102758
0.89578078 0.57949542 0.67685024
0.92218498 0.48349193 0.69659304
0.75410797 0.52154961 0.59261022
0.78242911 0.42766360 0.60488322
0.85615146 0.40472629 0.67066927
0.85240195 0.26681035 0.78904226
0.93544292 0.24111219 0.83596093
0.93645512 0.20071207 0.93055737
0.76969453 0.23506355 0.82665821
0.77071493 0.18557888 0.91662243
0.85358716 0.17305452 0.97159586
0.00753016 0.49439745 0.75418571
0.01552638 0.24193228 0.77333524
0.55300954 0.44290667 0.95818851
0.47689718 0.43273865 0.12433039
0.54619777 0.51631654 0.12825919
0.58407096 0.52872616 0.02269392
0.49851529 0.47929393 0.87835358
0.54076203 0.61573429 0.96760597
0.51079738 0.35391598 0.17700943
0.61855906 0.48173296 0.20193875
0.46948878 0.63129286 0.79169793
0.45955043 0.58030710 0.70249081
0.41829659 0.61811386 0.61718896
0.44629456 0.72797888 0.79222973
0.41038883 0.76874079 0.70486101
0.39297155 0.71430184 0.61887259
0.27531132 0.72821853 0.49223783
0.26170850 0.74971738 0.39203284
0.17507255 0.72843483 0.34461716
0.20606234 0.68231503 0.54392947
0.12046864 0.66040993 0.49580839
0.10430320 0.68505425 0.39694073
0.40155971 0.54500357 0.53465335
0.34006988 0.79767565 0.33992157
0.21236822 0.39680618 0.18601254
0.29937700 0.34405193 0.22469246
0.29022889 0.27693048 0.13453063
0.19898554 0.32722782 0.09796001
0.24426887 0.49257762 0.14413929
0.21068700 0.39005816 0.00891607
0.28946017 0.27941653 0.31255567
0.28721020 0.17519901 0.17626633
0.25610111 0.56297327 0.97487403
0.24967473 0.65582693 0.01132852
0.23756089 0.73690960 0.95120801
0.26132649 0.55230793 0.87302004
0.25468549 0.63327090 0.81332371
0.24064630 0.72622974 0.84805538
0.25245081 0.88931924 0.77845945
0.21089912 0.95335733 0.70883420
0.21329142 0.05116789 0.73358551
0.31467912 0.92687023 0.85202873
0.31846069 0.02523158 0.87333435
0.26253958 0.08668806 0.81798166
0.21836582 0.82111049 0.01546090
0.18566302 0.92908065 0.60256793
0.12926066 0.08120381 0.91240097
0.89478593 0.08558967 0.77679259
0.89282675 0.91219022 0.86484744
0.06715000 0.89814153 0.90278659
0.97764574 0.14317452 0.19048163
0.95126690 0.83359566 0.18925863
0.83850565 0.83974596 0.32161208
0.64374875 0.21490598 0.56481003
0.65193391 0.02911622 0.24934588
0.53563558 0.15510655 0.26757988
0.53676439 0.25411279 0.41759802
0.01054873 0.86862925 0.61127646
0.74044017 0.50966808 0.27106531
0.79176976 0.61510615 0.13587454
0.91054653 0.66375892 0.00347927
0.95454629 0.45784780 0.98466846
0.60888739 0.30491432 0.01286686
0.72354107 0.47135356 0.77738598
0.60233480 0.40445945 0.65940567
0.22341069 0.17542097 0.51095152
0.34882861 0.33727523 0.81692681
0.18830301 0.34531746 0.76805477
0.12170349 0.27373872 0.60592935
0.06100136 0.58933757 0.25366259
0.80170390 0.90192884 0.73456955
0.65355714 0.79495639 0.84764181
0.54330585 0.81144744 0.67999029
0.70002105 0.86911565 0.56950011
0.94013456 0.63949375 0.70612478
0.68909278 0.53722232 0.55268608
0.73894984 0.36747123 0.57439997
1.00240224 0.18841088 0.96946270
0.70480014 0.23896546 0.78180527
0.70633105 0.15464821 0.94311289
0.85308435 0.13737190 0.04333978
0.62329398 0.09174572 0.74848490
0.43854993 0.35984149 0.99576200
0.40650621 0.43868460 0.09471958
0.52181273 0.58631803 0.15198030
0.65898291 0.54691700 0.02446812
0.47969340 0.50668287 0.69858941
0.45769589 0.77010271 0.85972696
0.39460048 0.84489455 0.70197858
0.16409256 0.74612600 0.26665171
0.21594096 0.67307952 0.62313941
0.06460973 0.62817306 0.53686407
0.03482046 0.67245355 0.36332471
0.64809533 0.34723949 0.25923203
0.15733404 0.40472896 0.23661738
0.36109190 0.39190507 0.23798152
0.34368628 0.27993166 0.08224391
0.13765127 0.27872642 0.08765537
0.24829838 0.66531741 0.09026740
0.26992460 0.48267904 0.83941430
0.26092126 0.62465950 0.73473309
0.17656252 0.09990294 0.68392952
0.35288947 0.87761896 0.90022739
0.36088652 0.05163504 0.93730441
0.25965272 0.16255841 0.83718956
0.28919695 0.12623854 0.32426303
0.09789009 0.13234931 0.10623062
0.91413669 0.86230479 0.01827277
0.95885534 0.04441977 0.58406580
0.03557784 0.79784345 0.78984539
0.77835261 0.98594025 0.39546497
0.72779346 0.34339136 0.11566139
0.78169459 0.57265470 0.89327781
0.88698583 0.57036411 0.31303840
0.08714779 0.58370265 0.06464002
0.47742180 0.28487254 0.69124047
0.86047011 0.72651980 0.80486125
0.63972041 0.67743295 0.54928497
0.68172070 0.97946228 0.91892302
0.58068674 0.99274497 0.59160009
0.85561271 0.30876427 0.69440551
0.45339381 0.43159483 0.81283361
0.54098939 0.69860148 0.99816966
0.48584127 0.26840234 0.19013052
0.68963191 0.53878142 0.23065305
0.35853716 0.76048997 0.53640537
0.27075354 0.56345943 0.19308701
0.19192675 0.36683555 0.92325719
0.28828885 0.30667610 0.39782479
0.29351925 0.09905397 0.13285593
0.22890269 0.79219080 0.77165522
0.00902938 0.98646231 0.09057805
0.97667576 0.89800675 0.66631781
0.75211080 0.41865062 0.96283676
0.00507090 0.59482689 0.20464994
0.77255306 0.68766397 0.65719846
0.62246661 0.01100555 0.75892524
0.50128740 0.58149267 0.87742863
0.60075715 0.39243306 0.22765958
0.24621522 0.48314042 0.04017711
0.28403439 0.18446723 0.27846893
0.80120795 0.22733056 0.29958192
0.95188769 0.24238053 0.31336529
0.87792166 0.18457788 0.43664314
0.79071644 0.99082332 0.57870851
0.62207756 0.18042350 0.70771425
0.78031548 0.13058519 0.64477647
0.39073973 0.31716167 0.96378220
0.47380930 0.12705665 0.82567141
0.52296098 0.15116241 0.97916316
0.39236748 0.14718191 0.45007407
0.36758185 0.04958909 0.57309873
0.48956160 0.14670357 0.57955498
0.85869310 0.43596807 0.84722630
0.07227412 0.55315966 0.72071988
0.03018266 0.47058524 0.84444176
0.99393935 0.19918289 0.68443566
0.08792382 0.19629339 0.81631837
0.04761100 0.33351118 0.74817440
0.33571928 0.47681425 0.55970771
0.48048370 0.49585568 0.52184848
0.37427957 0.58006654 0.44529924
0.35441182 0.89328680 0.36593911
0.32244322 0.79517637 0.24091802
0.42268390 0.75540497 0.35834247
0.29341153 0.84763653 0.07540588
0.14732209 0.79629915 0.07568157
0.19167333 0.90219327 0.96908890
0.26277596 0.90987638 0.55600973
0.14532896 0.00282001 0.55194984
0.12769566 0.84836785 0.58489283
No title
1
14.503829 -0.321854 -0.449690
-0.318454 13.828498 0.019431
-0.450405 0.022964 13.574961
C H O N F
110 60 25 10 30
Direct configuration= 41
0.07776778 0.04263520 0.95353339
0.93003800 0.02139741 0.75878470
0.95185132 0.94425129 0.82653396
0.02381884 0.95736713 0.92296587
0.06736773 0.06306367 0.05442028
0.97498459 0.92593385 0.01361828
0.95612688 -0.00189776 0.66192788
0.99236446 0.86820113 0.76172758
0.96442402 0.98885089 0.17835194
0.94555759 0.07727842 0.21890834
0.88689321 0.08208425 0.29561236
0.93173820 0.90196196 0.21886508
0.86999185 0.90556530 0.29175862
0.84386532 0.99437277 0.32629623
0.71189614 0.05244460 0.39649210
0.70859582 0.10574808 0.48532014
0.64881500 0.18303186 0.49192361
0.65063426 0.07040660 0.31731963
0.58713674 0.14207691 0.32721443
0.58870056 0.20040510 0.41195214
0.87896174 0.18259904 0.33653763
0.76031793 0.07727025 0.56815870
0.84610244 0.47232319 0.09284849
0.85537465 0.57570477 0.13396433
0.92103100 0.60046003 0.05129121
0.89745529 0.50093642 0.00576431
0.77070598 0.40427868 0.06705456
0.81796310 0.49759190 0.92492492
0.91419693 0.58146385 0.22970089
0.01479340 0.59565699 0.10282794
0.67796517 0.39197695 0.90444534
0.59361955 0.34415728 0.94421939
0.54309911 0.27935230 0.86652340
0.67146823 0.42031682 0.80258687
0.60489764 0.38236608 0.73648653
0.53518663 0.31465137 0.76539843
0.38242408 0.26561507 0.68440404
0.34563079 0.21313297 0.60180436
0.25168261 0.21680569 0.57440972
0.32348474 0.30693383 0.74678050
0.23084658 0.31131991 0.71707407
0.19461845 0.27044634 0.62867092
0.51413659 0.18934176 0.88965232
0.39959777 0.14121973 0.55163165
0.75259029 0.83934316 0.72981999
0.66539074 0.85133463 0.79244162
0.60793268 0.85323551 0.69311159
0.68930049 0.82592870 0.63563460
0.80323400 0.74771352 0.74035488
0.69336539 0.72278163 0.60681923
0.65850599 0.95302781 0.83451548
0.59794828 0.95938568 0.67420084
0.80673466 0.59671606 0.64093903
0.89579345 0.57950288 0.67674662
0.92219946 0.48349516 0.69651038
0.75410033 0.52149554 0.59256234
0.78243794 0.42761163 0.60485201
0.85619778 0.40471728 0.67060516
0.85253106 0.26682241 0.78900097
0.93556145 0.24114682 0.83592355
0.93656396 0.20075737 0.93056120
0.76979481 0.23510278 0.82659419
0.77083882 0.18564852 0.91660330
0.85367774 0.17312572 0.97159160
0.00755688 0.49441801 0.75412406
0.01563691 0.24194424 0.77332680
0.55302374 0.44293519 0.95823139
0.47686926 0.43281883 0.12438458
0.54617950 0.51637419 0.12831694
0.58408453 0.52876404 0.02274938
0.49852727 0.47933669 0.87838005
0.54083283 0.61578273 0.96762726
0.51074585 0.35397630 0.17708205
0.61853337 0.48181716 0.20202328
0.46954060 0.63132851 0.79170237
0.45965323 0.58032847 0.70248466
0.41836597 0.61811036 0.61716568
0.44628463 0.72800847 0.79223113
0.41037354 0.76874449 0.70485114
0.39298529 0.71427881 0.61884426
0.27531286 0.72817030 0.49220036
0.26170177 0.74971395 0.39197750
0.17505080 0.72846592 0.34458568
0.20608907 0.68224225 0.54388289
0.12048195 0.66038748 0.49577011
0.10427611 0.68509253 0.39690901
0.40162540 0.54498357 0.53461946
0.34005544 0.79767829 0.33989012
0.21237812 0.39680536 0.18604713
0.29933247 0.34402028 0.22473469
0.29018916 0.27690725 0.13455800
0.19893816 0.32720902 0.09801334
0.24425223 0.49251816 0.14415606
0.21063735 0.39005077 0.00902429
0.28937591 0.27938402 0.31259836
0.28717250 0.17519248 0.17630951
0.25607892 0.56294725 0.97490108
0.24966969 0.65581020 0.01134483
0.23758177 0.73690067 0.95122044
0.26132231 0.55226333 0.87302777
0.25470719 0.63322381 0.81332505
0.24067785 0.72620782 0.84804032
0.25248691 0.88931998 0.77848853
0.21093357 0.95337211 0.70887099
0.21333081 0.05117737 0.73361369
0.31470902 0.92687354 0.85208498
0.31847842 0.02524226 0.87340099
0.26259000 0.08671238 0.81805601
0.21843986 0.82112990 0.01546479
0.18564913 0.92905737 0.60260918
0.12921275 0.08116182 0.91239694
0.89478857 0.08555328 0.77677301
0.89281287 0.91212592 0.86480899
0.06712017 0.89805461 0.90278681
0.97765216 0.14314185 0.19051180
0.95123916 0.83353838 0.18932324
0.83846416 0.83973808 0.32165861
0.64374432 0.21504171 0.56473417
0.65192923 0.02908576 0.24931435
0.53562225 0.15508629 0.26750184
0.53677032 0.25418911 0.41748048
0.01046690 0.86855185 0.61121038
0.74040666 0.50973917 0.27116224
0.79176783 0.61512605 0.13595722
0.91053730 0.66380895 0.00356361
0.95452712 0.45788229 0.98468313
0.60886067 0.30492016 0.01292016
0.72350412 0.47134921 0.77739627
0.60228585 0.40443890 0.65940977
0.22339505 0.17540143 0.51086625
0.34881910 0.33730068 0.81689248
0.18830904 0.34543951 0.76793182
0.12172433 0.27382081 0.60578807
0.06098313 0.58928386 0.25375600
0.80166940 0.90192621 0.73453226
0.65355283 0.79492827 0.84761730
0.54329266 0.81137848 0.67994381
0.69996174 0.86912095 0.56944447
0.94015849 0.63952362 0.70599378
0.68907530 0.53715363 0.55264593
0.73895965 0.36739924 0.57438246
1.00250474 0.18846066 0.96947732
0.70492173 0.23899736 0.78174885
0.70643097 0.15474226 0.94309408
0.85317954 0.13747504 0.04334748
0.62327591 0.09172735 0.74846626
0.43854620 0.35990924 0.99586642
0.40647054 0.43877338 0.09478272
0.52180545 0.58640621 0.15202814
0.65900216 0.54693185 0.02457221
0.47985957 0.50672537 0.69858043
0.45765361 0.77014156 0.85973477
0.39455586 0.84489598 0.70195127
0.16404900 0.74618254 0.26661240
0.21599730 0.67294299 0.62308472
0.06462220 0.62813697 0.53682842
0.03479060 0.67255024 0.36331605
0.64803183 0.34729548 0.25934728
0.15733088 0.40475168 0.23670197
0.36107856 0.39186603 0.23806716
0.34363231 0.27991499 0.08225733
0.13760335 0.27870880 0.08772846
0.24828816 0.66532284 0.09028797
0.26991670 0.48262249 0.83943923
0.26095779 0.62459234 0.73472790
0.17661451 0.09993082 0.68396751
0.35291027 0.87761895 0.90028907
0.36089295 0.05164257 0.93740839
0.25970159 0.16258255 0.83725981
0.28908810 0.12619638 0.32429116
0.09789383 0.13229058 0.10627450
0.91416901 0.86219942 0.01829405
0.95873993 0.04432894 0.58401115
0.03560533 0.79779037 0.78979446
0.77832714 0.98596064 0.39549056
0.72773685 0.34344757 0.11572936
0.78163594 0.57271796 0.89334722
0.88697383 0.57028983 0.31311881
0.08714071 0.58379349 0.06471919
0.47739560 0.28483675 0.69124220
0.86040177 0.72651985 0.80473988
0.63978409 0.67743574 0.54910940
0.68173937 0.97947141 0.91887361
0.58058485 0.99270556 0.59155223
0.85576235 0.30874405 0.69433388
0.45338579 0.43163264 0.81285136
0.54111584 0.69868903 0.99817764
0.48578437 0.26847736 0.19020262
0.68960704 0.53883960 0.23075284
0.35854947 0.76045528 0.53636998
0.27082171 0.56349642 0.19315117
0.19182158 0.36678653 0.92321592
0.28815059 0.30665813 0.39786447
0.29352445 0.09898457 0.13286305
0.22895710 0.79217043 0.77165602
0.00901881 0.98639907 0.09060535
0.97661568 0.89791971 0.66624882
0.75209642 0.41864966 0.96285495
0.00506191 0.59478370 0.20474263
0.77255068 0.68766236 0.65710574
0.62244482 0.01098772 0.75887905
0.50133747 0.58154078 0.87745115
0.60070091 0.39249508 0.22774907
0.24617704 0.48312460 0.04019945
0.28394771 0.18442356 0.27849462
0.80118990 0.22733581 0.29965841
0.95186572 0.24240503 0.31336437
0.87797070 0.18459001 0.43669155
0.79058898 0.99085189 0.57875549
0.62206601 0.18044891 0.70774906
0.78023603 0.13064026 0.64481517
0.39073147 0.31722816 0.96382254
0.47384848 0.12700386 0.82566478
0.52296251 0.15112036 0.97918327
0.39229456 0.14711544 0.45000591
0.36767409 0.04954421 0.57309716
0.48957698 0.14677603 0.57942865
0.85864558 0.43606932 0.84718065
0.07229522 0.55314627 0.72069239
0.03016147 0.47057807 0.84440826
0.99410840 0.19903242 0.68448720
0.08809376 0.19645262 0.81640218
0.04761863 0.33352926 0.74800921
0.33573439 0.47683840 0.55963234
0.48052620 0.49577058 0.52186455
0.37442009 0.58006120 0.44524388
0.35439875 0.89329690 0.36592563
0.32242665 0.79519402 0.24086406
0.42266770 0.75540825 0.35829676
0.29355890 0.84770998 0.07531366
0.14749194 0.79633364 0.07580121
0.19166855 0.90218554 0.96909506
0.26273534 0.90987791 0.55598878
0.14525380 0.00277470 0.55199697
0.12770794 0.84830719 0.58498910
No title
1
14.504608 -0.321923 -0.450436
-0.318624 13.826386 0.018201
-0.451229 0.021743 13.572563
C H O N F
110 60 25 10 30
Direct configuration= 42
0.07772064 0.04252071 0.95353717
0.92998989 0.02136263 0.75874749
0.95184398 0.94413204 0.82649910
0.02377325 0.95723455 0.92297615
0.06733216 0.06293366 0.05447278
0.97497436 0.92578035 0.01364559
0.95600433 -0.00201792 0.66182350
0.99233652 0.86810107 0.76165325
0.96440316 0.98875271 0.17840498
0.94555534 0.07725008 0.21895412
0.88686577 0.08207392 0.29566568
0.93170305 0.90188846 0.21894234
0.86993194 0.90552972 0.29184219
0.84382960 0.99437921 0.32634685
0.71186150 0.05249081 0.39648626
0.70852960 0.10586678 0.48528664
0.64880433 0.18317817 0.49180574
0.65060168 0.07041123 0.31724130
0.58713372 0.14208825 0.32709898
0.58869284 0.20051504 0.41179472
0.87896282 0.18261978 0.33660116
0.76018651 0.07737424 0.56820731
0.84608960 0.47235460 0.09290643
0.85535984 0.57572596 0.13408301
0.92101426 0.60051599 0.05141679
0.89742644 0.50099363 0.00581644
0.77068251 0.40434455 0.06710569
0.81792774 0.49764595 0.92498004
0.91417525 0.58139611 0.22984040
0.01477354 0.59571074 0.10296388
0.67794399 0.39200186 0.90449504
0.59356879 0.34415007 0.94430438
0.54303854 0.27933284 0.86656923
0.67140344 0.42029351 0.80264103
0.60483607 0.38234797 0.73646879
0.53513054 0.31458388 0.76543902
0.38238378 0.26556748 0.68436784
0.34559657 0.21305817 0.60172416
0.25166831 0.21677516 0.57429714
0.32345659 0.30695121 0.74669325
0.23084556 0.31143400 0.71692262
0.19463050 0.27050857 0.62848513
0.51413573 0.18928647 0.88968199
0.39960046 0.14117445 0.55153096
0.75254605 0.83931357 0.72972775
0.66536073 0.85128189 0.79237207
0.60788439 0.85315696 0.69302945
0.68924512 0.82589190 0.63551791
0.80315437 0.74770997 0.74017907
0.69339636 0.72277380 0.60661912
0.65849407 0.95300634 0.83443820
0.59784744 0.95931590 0.67413262
0.80674124 0.59669396 0.64077568
0.89582536 0.57950339 0.67656356
0.92225569 0.48352395 0.69637569
0.75408585 0.52140644 0.59247735
0.78244462 0.42750938 0.60478955
0.85628047 0.40468654 0.67049180
0.85276529 0.26684474 0.78892385
0.93575029 0.24120589 0.83587176
0.93676901 0.20083843 0.93056845
0.76999526 0.23517361 0.82648766
0.77104882 0.18576862 0.91657215
0.85384624 0.17326544 0.97156255
0.00756243 0.49442977 0.75401127
0.01585915 0.24196304 0.77331497
0.55303921 0.44299711 0.95829771
0.47678982 0.43295672 0.12446967
0.54615149 0.51650155 0.12842213
0.58411216 0.52883040 0.02285073
0.49854350 0.47939908 0.87842067
0.54096051 0.61589391 0.96767529
0.51066385 0.35409857 0.17721408
0.61847866 0.48193980 0.20217994
0.46963093 0.63140073 0.79170328
0.45983555 0.58037957 0.70247687
0.41849397 0.61809343 0.61712606
0.44626937 0.72804553 0.79223013
0.41034210 0.76875025 0.70482211
0.39301512 0.71424661 0.61880833
0.27533110 0.72809353 0.49212499
0.26168068 0.74969941 0.39189457
0.17501023 0.72852338 0.34452432
0.20612921 0.68210950 0.54378700
0.12049881 0.66034314 0.49570672
0.10424366 0.68516573 0.39685817
0.40175036 0.54494848 0.53455892
0.34003174 0.79768796 0.33981698
0.21235029 0.39680318 0.18615038
0.29928630 0.34397858 0.22482287
0.29011771 0.27685786 0.13461084
0.19885585 0.32717480 0.09810197
0.24427859 0.49255230 0.14425814
0.21050838 0.38999077 0.00901341
0.28921835 0.27933306 0.31269801
0.28711215 0.17506951 0.17631693
0.25604040 0.56290504 0.97494487
0.24965940 0.65578817 0.01137246
0.23762113 0.73687415 0.95123155
0.26131489 0.55218090 0.87303813
0.25474495 0.63314686 0.81333478
0.24073547 0.72615904 0.84802665
0.25254337 0.88931023 0.77853067
0.21099646 0.95340232 0.70894214
0.21340979 0.05119189 0.73367742
0.31477241 0.92688913 0.85219836
0.31851347 0.02524969 0.87352107
0.26267026 0.08675457 0.81817477
0.21858285 0.82116981 0.01548456
0.18562195 0.92901403 0.60267768
0.12912197 0.08108449 0.91239252
0.89481104 0.08545603 0.77672938
0.89279014 0.91201281 0.86473726
0.06707023 0.89789507 0.90278470
0.97766200 0.14307876 0.19056727
0.95118954 0.83343532 0.18943857
0.83838983 0.83972277 0.32174235
0.64373481 0.21529005 0.56460764
0.65192123 0.02903293 0.24926259
0.53559208 0.15505145 0.26735355
0.53678018 0.25432655 0.41726844
0.01031689 0.86841529 0.61109595
0.74035649 0.50985924 0.27134551
0.79176516 0.61516100 0.13610619
0.91052000 0.66390083 0.00371434
0.95449685 0.45794077 0.98470752
0.60880998 0.30494239 0.01299751
0.72344287 0.47134634 0.77741127
0.60219790 0.40439552 0.65943472
0.22336861 0.17536821 0.51071843
0.34880106 0.33734663 0.81683005
0.18831957 0.34565998 0.76771245
0.12175676 0.27396852 0.60553269
0.06095013 0.58918699 0.25392364
0.80160465 0.90191716 0.73446367
0.65354581 0.79488268 0.84756801
0.54326133 0.81124955 0.67985891
0.69985680 0.86913456 0.56933846
0.94020175 0.63957582 0.70575741
0.68904600 0.53702874 0.55257562
0.73898138 0.36727325 0.57435373
1.00268416 0.18855220 0.96950104
0.70513089 0.23905497 0.78164162
0.70661539 0.15491346 0.94305786
0.85335036 0.13765420 0.04337409
0.62324301 0.09169510 0.74843211
0.43853657 0.36002897 0.99605277
0.40642249 0.43893314 0.09490272
0.52179415 0.58655662 0.15211034
0.65903563 0.54695822 0.02475853
0.48016031 0.50679568 0.69856376
0.45757885 0.77021545 0.85975503
0.39447617 0.84489704 0.70190218
0.16397106 0.74628473 0.26654388
0.21609951 0.67269643 0.62299559
0.06464902 0.62807436 0.53676102
0.03472869 0.67272300 0.36329676
0.64791154 0.34740228 0.25955077
0.15734831 0.40479077 0.23683222
0.36103963 0.39178473 0.23821774
0.34353669 0.27988513 0.08227915
0.13751464 0.27867555 0.08785942
0.24827015 0.66533002 0.09032783
0.26990200 0.48252087 0.83948516
0.26102399 0.62447159 0.73471574
0.17670569 0.09998405 0.68403217
0.35294633 0.87762035 0.90039798
0.36090552 0.05165632 0.93759658
0.25978921 0.16262816 0.83738727
0.28889300 0.12611160 0.32434382
0.09790334 0.13219215 0.10635684
0.91420371 0.86198587 0.01833538
0.95853000 0.04417301 0.58390829
0.03564604 0.79770424 0.78969927
0.77828385 0.98599577 0.39553468
0.72764138 0.34355904 0.11584342
0.78152840 0.57283545 0.89347050
0.88695054 0.57015583 0.31327018
0.08713336 0.58395507 0.06485914
0.47735336 0.28477561 0.69124841
0.86041600 0.72646509 0.80467534
0.63986838 0.67741376 0.54875986
0.68178059 0.97949394 0.91880874
0.58040183 0.99263475 0.59146269
0.85603126 0.30870945 0.69420560
0.45337915 0.43171129 0.81289616
0.54134304 0.69882531 0.99818382
0.48567553 0.26859853 0.19033463
0.68955575 0.53895941 0.23092379
0.35856072 0.76039098 0.53629821
0.27090083 0.56344918 0.19319386
0.19166960 0.36674406 0.92331937
0.28790344 0.30661702 0.39790961
0.29352644 0.09895579 0.13292884
0.22905670 0.79214608 0.77165396
0.00899267 0.98628309 0.09066692
0.97651198 0.89775669 0.66612375
0.75205186 0.41863947 0.96287609
0.00504805 0.59470491 0.20491157
0.77255246 0.68763096 0.65692656
0.62240729 0.01094436 0.75879948
0.50142749 0.58162374 0.87749177
0.60061335 0.39261587 0.22791368
0.24610061 0.48307972 0.04025414
0.28379232 0.18436721 0.27854852
0.80115700 0.22734500 0.29979548
0.95182605 0.24244774 0.31336292
0.87805844 0.18461155 0.43678061
0.79036262 0.99089438 0.57884068
0.62204518 0.18049627 0.70781137
0.78009042 0.13073082 0.64486849
0.39071859 0.31734999 0.96389778
0.47391421 0.12690469 0.82564812
0.52296501 0.15104554 0.97921832
0.39216220 0.14699643 0.44988123
0.36783818 0.04945927 0.57309612
0.48960273 0.14690595 0.57920006
0.85855949 0.43625307 0.84709847
0.07235295 0.55314017 0.72063405
0.03012605 0.47056676 0.84434803
0.99440977 0.19875880 0.68457511
0.08839285 0.19674280 0.81654996
0.04763186 0.33356226 0.74771140
0.33576010 0.47688054 0.55949750
0.48060116 0.49561906 0.52189456
0.37467142 0.58005266 0.44514326
0.35437454 0.89331458 0.36590201
0.32239646 0.79522568 0.24077523
0.42263956 0.75541326 0.35821509
0.29381878 0.84784131 0.07514213
0.14779623 0.79639511 0.07601781
0.19165837 0.90217340 0.96910332
0.26266232 0.90988140 0.55595208
0.14511930 0.00269148 0.55208419
0.12773150 0.84819851 0.58516360
No title
1
14.504888 -0.321973 -0.450764
-0.318706 13.825635 0.017834
-0.451583 0.021378 13.571586
C H O N F
110 60 25 10 30
Direct configuration= 43
0.07769862 0.04247664 0.95354523
0.92999845 0.02129333 0.75871948
0.95183364 0.94410646 0.82647826
0.02375538 0.95718158 0.92297622
0.06732998 0.06290885 0.05450797
0.97498356 0.92573756 0.01365513
0.95595530 -0.00208071 0.66182213
0.99234330 0.86803526 0.76161676
0.96439483 0.98874119 0.17843110
0.94554139 0.07721071 0.21898250
0.88686960 0.08208184 0.29567097
0.93167882 0.90185530 0.21898374
0.86992084 0.90552979 0.29186121
0.84381368 0.99436594 0.32636694
0.71183882 0.05251016 0.39646993
0.70851640 0.10589948 0.48528086
0.64878573 0.18324648 0.49176009
0.65060593 0.07040468 0.31722722
0.58711780 0.14210006 0.32704499
0.58869867 0.20055205 0.41174650
0.87896108 0.18262607 0.33662495
0.76013495 0.07740451 0.56821542
0.84608501 0.47236569 0.09292600
0.85535501 0.57573433 0.13412903
0.92100642 0.60053988 0.05146060
0.89741496 0.50101378 0.00583447
0.77064390 0.40433232 0.06714796
0.81789026 0.49770556 0.92497327
0.91417333 0.58137081 0.22989639
0.01476563 0.59572944 0.10302367
0.67790515 0.39199123 0.90451301
0.59355608 0.34415768 0.94432635
0.54302024 0.27933150 0.86659178
0.67137729 0.42029356 0.80262580
0.60481950 0.38233136 0.73651155
0.53511763 0.31457041 0.76543720
0.38237221 0.26553676 0.68433375
0.34558969 0.21304196 0.60171139
0.25166346 0.21675043 0.57423884
0.32344839 0.30696764 0.74668080
0.23083922 0.31146577 0.71684593
0.19463438 0.27054478 0.62843883
0.51413248 0.18925837 0.88969666
0.39960270 0.14115676 0.55149194
0.75252597 0.83930672 0.72969043
0.66534951 0.85125895 0.79234921
0.60786717 0.85312767 0.69299941
0.68922594 0.82588161 0.63547738
0.80317501 0.74768413 0.74016440
0.69338151 0.72274468 0.60651417
0.65848888 0.95299678 0.83440453
0.59780526 0.95929966 0.67408507
0.80674464 0.59667244 0.64071265
0.89583846 0.57951788 0.67649790
0.92227089 0.48352764 0.69632205
0.75408381 0.52137410 0.59244933
0.78245197 0.42747952 0.60477033
0.85630969 0.40467323 0.67044947
0.85282219 0.26685900 0.78888059
0.93584061 0.24121111 0.83588857
0.93682816 0.20087776 0.93054624
0.77009349 0.23519236 0.82647171
0.77109374 0.18582107 0.91653206
0.85393752 0.17331197 0.97157100
0.00757261 0.49442714 0.75399456
0.01594137 0.24197404 0.77330678
0.55304092 0.44301498 0.95831910
0.47678103 0.43299704 0.12451097
0.54613973 0.51655186 0.12845850
0.58412380 0.52885646 0.02288988
0.49855481 0.47942508 0.87844471
0.54100768 0.61593362 0.96769278
0.51063261 0.35415925 0.17725669
0.61844979 0.48196956 0.20223718
0.46966737 0.63142354 0.79171121
0.45990070 0.58039508 0.70246393
0.41854386 0.61808428 0.61711675
0.44626327 0.72806635 0.79223322
0.41033056 0.76875069 0.70480970
0.39302652 0.71423715 0.61879545
0.27534126 0.72807016 0.49208611
0.26167693 0.74969190 0.39187768
0.17499085 0.72854633 0.34449067
0.20614876 0.68206006 0.54376162
0.12049494 0.66032550 0.49567451
0.10423607 0.68519171 0.39684910
0.40179992 0.54493627 0.53453877
0.34002279 0.79769277 0.33978702
0.21233200 0.39680566 0.18619607
0.29927238 0.34396197 0.22486026
0.29009123 0.27683556 0.13462957
0.19882893 0.32716591 0.09812872
0.24427894 0.49253735 0.14427614
0.21046665 0.38997424 0.00904489
0.28916130 0.27929847 0.31266318
0.28708689 0.17507161 0.17634618
0.25602719 0.56287895 0.97494543
0.24965580 0.65578375 0.01138795
0.23763604 0.73686562 0.95122493
0.26131067 0.55215722 0.87306358
0.25475960 0.63311833 0.81332305
0.24075679 0.72614291 0.84803954
0.25257906 0.88931499 0.77856548
0.21101753 0.95338940 0.70895810
0.21344764 0.05122892 0.73372286
0.31477923 0.92687899 0.85221729
0.31854166 0.02526466 0.87358702
0.26268360 0.08675731 0.81819227
0.21863746 0.82118336 0.01549270
0.18561063 0.92899820 0.60270226
0.12908997 0.08105805 0.91238824
0.89480415 0.08544868 0.77672194
0.89278206 0.91196942 0.86471008
0.06705151 0.89783717 0.90278403
0.97767119 0.14306672 0.19058309
0.95117207 0.83339512 0.18947911
0.83835975 0.83971101 0.32177598
0.64373133 0.21537871 0.56455732
0.65191746 0.02901248 0.24924158
0.53558654 0.15503755 0.26730489
0.53678210 0.25437798 0.41718997
0.01027661 0.86835200 0.61103157
0.74034184 0.50990070 0.27141616
0.79176398 0.61517322 0.13616074
0.91051356 0.66393240 0.00377160
0.95448625 0.45796180 0.98471628
0.60879278 0.30494841 0.01303020
0.72341442 0.47133889 0.77742162
0.60216588 0.40438479 0.65942438
0.22336172 0.17535919 0.51067142
0.34879227 0.33736112 0.81680045
0.18832068 0.34574395 0.76763626
0.12176820 0.27402208 0.60543790
0.06094660 0.58915020 0.25399295
0.80158202 0.90191365 0.73443818
0.65354396 0.79486761 0.84754753
0.54324986 0.81120240 0.67982767
0.69981858 0.86913974 0.56929865
0.94021403 0.63959040 0.70566843
0.68903344 0.53698323 0.55254960
0.73898710 0.36722289 0.57434177
1.00275685 0.18858553 0.96951468
0.70519831 0.23907707 0.78159574
0.70668930 0.15497816 0.94304372
0.85341176 0.13772233 0.04337904
0.62323005 0.09168397 0.74841868
0.43851948 0.36006205 0.99611332
0.40639244 0.43899386 0.09494258
0.52179060 0.58661127 0.15213948
0.65904771 0.54696774 0.02482550
0.48027077 0.50682405 0.69855853
0.45755115 0.77024021 0.85975973
0.39444700 0.84489763 0.70188455
0.16394334 0.74632218 0.26652403
0.21613622 0.67260599 0.62295957
0.06466080 0.62805208 0.53673545
0.03470390 0.67278667 0.36328850
0.64786665 0.34744268 0.25962494
0.15735882 0.40480488 0.23687535
0.36102370 0.39175381 0.23827236
0.34350126 0.27987486 0.08228728
0.13748030 0.27866243 0.08790775
0.24826346 0.66533220 0.09034176
0.26989732 0.48247801 0.83949784
0.26104769 0.62442905 0.73471727
0.17674072 0.10000036 0.68405669
0.35296289 0.87761938 0.90044120
0.36090507 0.05165781 0.93765678
0.25982159 0.16265020 0.83743610
0.28882035 0.12608383 0.32436000
0.09789672 0.13213446 0.10637064
0.91420497 0.86189611 0.01835147
0.95845307 0.04413390 0.58384216
0.03564628 0.79769662 0.78965807
0.77826756 0.98600986 0.39555356
0.72762795 0.34363052 0.11586201
0.78150826 0.57283695 0.89353664
0.88694070 0.57010690 0.31332397
0.08713326 0.58401367 0.06490768
0.47733446 0.28475176 0.69125537
0.86037867 0.72646130 0.80460387
0.63992124 0.67742513 0.54865555
0.68179714 0.97950350 0.91878812
0.58033972 0.99260092 0.59144841
0.85613100 0.30869646 0.69416006
0.45337273 0.43173653 0.81290772
0.54142643 0.69887607 0.99818619
0.48563417 0.26863752 0.19038504
0.68953747 0.53901115 0.23098473
0.35856300 0.76036548 0.53627235
0.27093764 0.56345388 0.19322447
0.19160781 0.36672103 0.92332728
0.28781193 0.30662010 0.39798599
0.29353028 0.09890751 0.13293165
0.22909125 0.79213898 0.77164733
0.00898371 0.98623467 0.09067903
0.97645321 0.89772389 0.66612377
0.75206764 0.41865098 0.96290207
0.00502600 0.59467586 0.20495839
0.77255025 0.68763099 0.65686435
0.62239365 0.01092853 0.75877206
0.50145880 0.58165708 0.87750183
0.60058307 0.39266713 0.22797271
0.24607438 0.48306924 0.04027485
0.28373535 0.18433641 0.27857143
0.80114545 0.22734837 0.29984540
0.95181147 0.24246224 0.31336232
0.87809061 0.18462008 0.43681522
0.79027621 0.99091772 0.57887070
0.62203816 0.18051226 0.70783475
0.78004002 0.13077013 0.64489387
0.39072692 0.31740637 0.96393395
0.47393769 0.12686973 0.82564346
0.52296664 0.15102054 0.97922927
0.39211318 0.14695250 0.44983528
0.36789836 0.04942627 0.57309718
0.48961189 0.14695408 0.57911544
0.85852682 0.43632301 0.84707184
0.07237659 0.55314171 0.72061124
0.03010855 0.47056705 0.84430562
0.99452100 0.19865656 0.68460693
0.08850345 0.19684973 0.81660649
0.04763765 0.33357351 0.74760172
0.33576942 0.47689570 0.55944780
0.48062973 0.49556291 0.52190562
0.37476296 0.58005047 0.44510493
0.35436521 0.89332083 0.36589307
0.32238435 0.79523739 0.24074200
0.42262888 0.75541516 0.35818423
0.29391561 0.84789146 0.07508035
0.14790785 0.79641803 0.07609980
0.19165392 0.90216929 0.96910566
0.26263481 0.90988352 0.55594010
0.14506964 0.00265971 0.55211688
0.12774266 0.84815950 0.58522939
No title
1
14.505690 -0.322039 -0.451419
-0.318866 13.823674 0.016709
-0.452319 0.020262 13.569226
C H O N F
110 60 25 10 30
Direct configuration= 44
0.07764276 0.04237156 0.95358427
0.92999227 0.02116649 0.75866905
0.95181604 0.94400732 0.82643738
0.02371393 0.95704201 0.92297356
0.06730744 0.06278853 0.05453249
0.97494787 0.92556009 0.01368954
0.95582794 -0.00220321 0.66173092
0.99230190 0.86795795 0.76152292
0.96436473 0.98865657 0.17850129
0.94552992 0.07715577 0.21903473
0.88685296 0.08207718 0.29571336
0.93163682 0.90178686 0.21906739
0.86987150 0.90549590 0.29193296
0.84377541 0.99436802 0.32642037
0.71179657 0.05255656 0.39644983
0.70846319 0.10600359 0.48525301
0.64876450 0.18341208 0.49166140
0.65059099 0.07040054 0.31716640
0.58709670 0.14212109 0.32691676
0.58868836 0.20066132 0.41158589
0.87896133 0.18264394 0.33668972
0.76000281 0.07748806 0.56824504
0.84606518 0.47239482 0.09297558
0.85534083 0.57575718 0.13424981
0.92098747 0.60060131 0.05158218
0.89739188 0.50106706 0.00588739
0.77061686 0.40439439 0.06719603
0.81783610 0.49778099 0.92501181
0.91415305 0.58129977 0.23005149
0.01473865 0.59578076 0.10316988
0.67783954 0.39198722 0.90456873
0.59351372 0.34417642 0.94438371
0.54296207 0.27930587 0.86665309
0.67132574 0.42029341 0.80263901
0.60475074 0.38228888 0.73655088
0.53507813 0.31452548 0.76545269
0.38233172 0.26548650 0.68429421
0.34556404 0.21296808 0.60163826
0.25164555 0.21671569 0.57412326
0.32342055 0.30698883 0.74659959
0.23084187 0.31157626 0.71669155
0.19464168 0.27060816 0.62825788
0.51412938 0.18920629 0.88972370
0.39960175 0.14111507 0.55139121
0.75247852 0.83927105 0.72959561
0.66532157 0.85120968 0.79227770
0.60781212 0.85304577 0.69291482
0.68917434 0.82584430 0.63535637
0.80309846 0.74767742 0.73998960
0.69343658 0.72276279 0.60634532
0.65848467 0.95297643 0.83435023
0.59770593 0.95922474 0.67401610
0.80675634 0.59664032 0.64055165
0.89586924 0.57953983 0.67631569
0.92230893 0.48353659 0.69617809
0.75407193 0.52127887 0.59236775
0.78246857 0.42739183 0.60471597
0.85639120 0.40464980 0.67033462
0.85303771 0.26688746 0.78879051
0.93605092 0.24125993 0.83585623
0.93702235 0.20096501 0.93053923
0.77029503 0.23525691 0.82637677
0.77128699 0.18594651 0.91648205
0.85412001 0.17344457 0.97156177
0.00760414 0.49444137 0.75390936
0.01615276 0.24199817 0.77329425
0.55305691 0.44306579 0.95838618
0.47674107 0.43312670 0.12461177
0.54610802 0.51667103 0.12855738
0.58415145 0.52892541 0.02299227
0.49857707 0.47949591 0.87849565
0.54113418 0.61602665 0.96773269
0.51054050 0.35427908 0.17738210
0.61839559 0.48210353 0.20238718
0.46976252 0.63148901 0.79172407
0.46008392 0.58043253 0.70244479
0.41867303 0.61807126 0.61708162
0.44624795 0.72811710 0.79223976
0.41030065 0.76875719 0.70478256
0.39305460 0.71420277 0.61875205
0.27535629 0.72799193 0.49201106
0.26166237 0.74968023 0.39179533
0.17494823 0.72860487 0.34442567
0.20619634 0.68192909 0.54367454
0.12050752 0.66028084 0.49560729
0.10419901 0.68526412 0.39679852
0.40192929 0.54490080 0.53448249
0.33999574 0.79770184 0.33971799
0.21231307 0.39680611 0.18628845
0.29921534 0.34391077 0.22494127
0.29002106 0.27678633 0.13467595
0.19874838 0.32713520 0.09821466
0.24427992 0.49250647 0.14433821
0.21035792 0.38993597 0.00913507
0.28900708 0.27926630 0.31280614
0.28702102 0.17503737 0.17640018
0.25598939 0.56283172 0.97498040
0.24964732 0.65575593 0.01141595
0.23767556 0.73684751 0.95123899
0.26130217 0.55208136 0.87309282
0.25479799 0.63304344 0.81331885
0.24081504 0.72609631 0.84803498
0.25264818 0.88931825 0.77862323
0.21108078 0.95339422 0.70902273
0.21352526 0.05127095 0.73379098
0.31482893 0.92688217 0.85231011
0.31858673 0.02528101 0.87371987
0.26275766 0.08679368 0.81830131
0.21878092 0.82121948 0.01550840
0.18558335 0.92895640 0.60277268
0.12899892 0.08098269 0.91237921
0.89480113 0.08540191 0.77669375
0.89275884 0.91185330 0.86463716
0.06699902 0.89768289 0.90278359
0.97768536 0.14301383 0.19063462
0.95112316 0.83328873 0.18958988
0.83828507 0.83969184 0.32186086
0.64372038 0.21561851 0.56441940
0.65190847 0.02895763 0.24918787
0.53556449 0.15500276 0.26716510
0.53679123 0.25451293 0.41697837
0.01013698 0.86820961 0.61090268
0.74029368 0.51001959 0.27159975
0.79175998 0.61520629 0.13630915
0.91049598 0.66401992 0.00392553
0.95445398 0.45801983 0.98473813
0.60874602 0.30496273 0.01312075
0.72334226 0.47132412 0.77744386
0.60208115 0.40434792 0.65942278
0.22333837 0.17532463 0.51053154
0.34877388 0.33740800 0.81673686
0.18832938 0.34596509 0.76742069
0.12180339 0.27416763 0.60518563
0.06091967 0.58905284 0.25416530
0.80152192 0.90190657 0.73436855
0.65353767 0.79482132 0.84749768
0.54322344 0.81107844 0.67974385
0.69971611 0.86915167 0.56919393
0.94025225 0.63963549 0.70543053
0.68900133 0.53685872 0.55248123
0.73900475 0.36709027 0.57431115
1.00293861 0.18867830 0.96954096
0.70540464 0.23913482 0.78148853
0.70687346 0.15514701 0.94300715
0.85358102 0.13790379 0.04339808
0.62319563 0.09165091 0.74838464
0.43848818 0.36016466 0.99628684
0.40632189 0.43915542 0.09505378
0.52177955 0.58676405 0.15222005
0.65908174 0.54699290 0.02500628
0.48056880 0.50690131 0.69854451
0.45747663 0.77030838 0.85977394
0.39436838 0.84489835 0.70183663
0.16386715 0.74642629 0.26646061
0.21623600 0.67236163 0.62286623
0.06468737 0.62798910 0.53666831
0.03464584 0.67296030 0.36327098
0.64774576 0.34755165 0.25982712
0.15736968 0.40484521 0.23700805
0.36098998 0.39167771 0.23842263
0.34340542 0.27984598 0.08230947
0.13739165 0.27863006 0.08803709
0.24824553 0.66533844 0.09038339
0.26988326 0.48237309 0.83953772
0.26111237 0.62431431 0.73471209
0.17683465 0.10004649 0.68412490
0.35300413 0.87761850 0.90055250
0.36091531 0.05166912 0.93783606
0.25990779 0.16269654 0.83756257
0.28862438 0.12600588 0.32441085
0.09789945 0.13202537 0.10644718
0.91426064 0.86170865 0.01838942
0.95824229 0.04398428 0.58373397
0.03569742 0.79758890 0.78957416
0.77822288 0.98604637 0.39560141
0.72753268 0.34374015 0.11597567
0.78141136 0.57293069 0.89367374
0.88691858 0.56997609 0.31346313
0.08713308 0.58417181 0.06504184
0.47729167 0.28468839 0.69126571
0.86039026 0.72640534 0.80453716
0.63997822 0.67738128 0.54828028
0.68183411 0.97952068 0.91870232
0.58015956 0.99253390 0.59135605
0.85639807 0.30865678 0.69403909
0.45335831 0.43180739 0.81294197
0.54165157 0.69902553 0.99819731
0.48553195 0.26877116 0.19051870
0.68948490 0.53912928 0.23115295
0.35857845 0.76030026 0.53620602
0.27103430 0.56345821 0.19330015
0.19143950 0.36665669 0.92334146
0.28756674 0.30656777 0.39799035
0.29353763 0.09880703 0.13295634
0.22918712 0.79211226 0.77164420
0.00896110 0.98611570 0.09072156
0.97633647 0.89758428 0.66603435
0.75205872 0.41865934 0.96294319
0.00500010 0.59459503 0.20511338
0.77255108 0.68760234 0.65668630
0.62235388 0.01089509 0.75869122
0.50154650 0.58174475 0.87753705
0.60049627 0.39277475 0.22813743
0.24600273 0.48303366 0.04032508
0.28358024 0.18426192 0.27861257
0.80111313 0.22735736 0.29997910
0.95177290 0.24250234 0.31336090
0.87817677 0.18464184 0.43690387
0.79004503 0.99097450 0.57895306
0.62201932 0.18055613 0.70789787
0.77990307 0.13087401 0.64495674
0.39073181 0.31754316 0.96402064
0.47399983 0.12677565 0.82563214
0.52297175 0.15094940 0.97926668
0.39198135 0.14683279 0.44971496
0.36806202 0.04934060 0.57310042
0.48964181 0.14708275 0.57888883
0.85844009 0.43650998 0.84699259
0.07242691 0.55313486 0.72055741
0.03006964 0.47055725 0.84422605
0.99482016 0.19838261 0.68469591
0.08880529 0.19713824 0.81675755
0.04765271 0.33360279 0.74730549
0.33579560 0.47693737 0.55931417
0.48070565 0.49541247 0.52193541
0.37501096 0.58004444 0.44500517
0.35434012 0.89333899 0.36586762
0.32235013 0.79526905 0.24064994
0.42260173 0.75542050 0.35809923
0.29417559 0.84802641 0.07491261
0.14821094 0.79647952 0.07632185
0.19164175 0.90215741 0.96911329
0.26256315 0.90988856 0.55590485
0.14493418 0.00257661 0.55220479
0.12777006 0.84805116 0.58540562
No title
1
14.505998 -0.322034 -0.451870
-0.318910 13.822601 0.016110
-0.452801 0.019664 13.568041
C H O N F
110 60 25 10 30
Direct configuration= 45
0.07761603 0.04231615 0.95358891
0.92996121 0.02115125 0.75866596
0.95181556 0.94394087 0.82642001
0.02369606 0.95697774 0.92298098
0.06729172 0.06272491 0.05455022
0.97495145 0.92549230 0.01370239
0.95576866 -0.00226576 0.66165425
0.99229872 0.86788333 0.76150310
0.96435391 0.98860225 0.17852597
0.94553145 0.07714620 0.21905548
0.88683606 0.08206779 0.29574461
0.93162103 0.90174897 0.21910334
0.86983886 0.90547383 0.29197780
0.84375807 0.99437524 0.32644633
0.71178055 0.05257862 0.39644771
0.70842703 0.10606716 0.48523566
0.64876034 0.18348556 0.49160198
0.65057208 0.07040419 0.31712581
0.58709640 0.14212642 0.32685818
0.58868118 0.20071830 0.41150157
0.87896240 0.18265354 0.33672194
0.75993548 0.07754208 0.56826844
0.84605613 0.47240809 0.09300625
0.85533280 0.57576597 0.13431164
0.92097727 0.60062988 0.05164758
0.89737578 0.50109582 0.00591234
0.77061066 0.40443404 0.06722065
0.81782292 0.49780350 0.92504692
0.91414110 0.58126438 0.23011561
0.01473879 0.59580526 0.10323365
0.67783358 0.39200341 0.90459342
0.59348631 0.34417539 0.94442345
0.54293165 0.27929656 0.86667625
0.67129411 0.42028011 0.80267525
0.60471648 0.38227880 0.73653335
0.53505125 0.31449114 0.76547735
0.38231213 0.26546485 0.68428061
0.34554781 0.21292601 0.60159453
0.25163872 0.21670294 0.57407259
0.32340392 0.30699771 0.74655285
0.23084515 0.31163678 0.71661849
0.19464662 0.27063675 0.62815830
0.51412752 0.18917829 0.88973858
0.39960292 0.14109158 0.55134242
0.75245308 0.83926087 0.72954485
0.66530583 0.85118465 0.79223954
0.60778500 0.85300290 0.69287280
0.68914698 0.82583366 0.63529364
0.80315855 0.74762794 0.74000168
0.69339988 0.72270740 0.60618014
0.65847906 0.95296370 0.83430813
0.59765364 0.95919349 0.67397234
0.80676686 0.59661974 0.64046883
0.89588114 0.57953864 0.67622066
0.92233420 0.48354963 0.69610649
0.75406304 0.52123324 0.59232487
0.78247348 0.42733809 0.60468528
0.85643502 0.40463641 0.67027679
0.85316384 0.26689667 0.78875537
0.93614683 0.24129500 0.83581914
0.93712891 0.20100537 0.93054926
0.77038822 0.23529511 0.82631453
0.77140503 0.18600658 0.91647199
0.85419862 0.17351626 0.97154628
0.00761305 0.49445400 0.75384525
0.01626222 0.24200736 0.77328966
0.55306636 0.44309741 0.95842141
0.47670134 0.43320017 0.12465384
0.54609405 0.51673079 0.12861024
0.58416466 0.52895921 0.02304175
0.49858390 0.47952790 0.87851424
0.54119990 0.61608604 0.96775672
0.51049929 0.35434027 0.17745088
0.61836797 0.48216687 0.20246696
0.46980911 0.63152588 0.79172293
0.46017932 0.58045866 0.70244323
0.41873925 0.61806473 0.61706096
0.44624026 0.72813740 0.79223811
0.41028621 0.76875976 0.70477062
0.39306975 0.71418415 0.61873067
0.27536332 0.72795000 0.49197540
0.26165237 0.74967486 0.39174772
0.17492947 0.72863513 0.34439802
0.20621706 0.68186090 0.54362640
0.12052051 0.66025986 0.49557416
0.10417839 0.68530148 0.39677095
0.40199448 0.54488358 0.53445222
0.33998263 0.79770617 0.33968359
0.21231024 0.39680477 0.18633024
0.29918348 0.34388614 0.22498622
0.28998411 0.27676509 0.13470369
0.19870420 0.32711751 0.09826262
0.24428280 0.49250034 0.14437958
0.21029748 0.38991256 0.00915680
0.28892910 0.27922203 0.31278676
0.28699007 0.17497095 0.17640773
0.25596949 0.56281012 0.97500699
0.24964272 0.65574321 0.01143075
0.23769701 0.73683534 0.95125237
0.26129873 0.55203971 0.87309276
0.25481764 0.63300283 0.81332813
0.24084491 0.72607437 0.84802371
0.25267582 0.88931281 0.77864329
0.21111396 0.95341549 0.70906117
0.21356344 0.05126940 0.73381758
0.31486510 0.92689212 0.85237148
0.31860137 0.02528348 0.87377572
0.26280433 0.08681743 0.81837031
0.21885226 0.82124072 0.01551697
0.18557103 0.92893372 0.60281059
0.12894596 0.08094004 0.91237921
0.89481090 0.08535627 0.77667397
0.89274452 0.91179322 0.86460135
0.06697239 0.89760215 0.90278092
0.97768912 0.14297819 0.19066408
0.95109681 0.83323718 0.18964817
0.83824829 0.83968460 0.32190314
0.64371322 0.21574547 0.56435395
0.65190439 0.02892938 0.24916178
0.53554947 0.15498590 0.26708805
0.53679506 0.25458318 0.41686866
0.01005569 0.86814291 0.61085011
0.74026380 0.51008381 0.27169087
0.79175763 0.61522347 0.13638618
0.91048667 0.66406654 0.00400421
0.95443661 0.45804987 0.98474920
0.60872129 0.30497367 0.01316263
0.72331266 0.47132439 0.77745007
0.60203806 0.40432339 0.65943791
0.22332544 0.17530356 0.51045713
0.34876487 0.33743344 0.81670551
0.18833540 0.34607844 0.76730740
0.12182166 0.27424280 0.60505589
0.06090028 0.58900305 0.25424863
0.80148986 0.90190026 0.73433223
0.65353477 0.79479661 0.84747182
0.54320949 0.81101409 0.67970015
0.69966324 0.86915702 0.56914011
0.94027485 0.63966367 0.70530993
0.68898552 0.53679467 0.55244734
0.73901706 0.36702571 0.57429756
1.00302975 0.18872717 0.96955249
0.70551577 0.23916415 0.78143660
0.70696526 0.15523292 0.94298831
0.85366934 0.13799673 0.04340996
0.62317733 0.09163481 0.74836662
0.43848217 0.36022725 0.99638396
0.40629835 0.43923767 0.09511664
0.52177327 0.58684348 0.15226123
0.65909949 0.54700566 0.02509887
0.48072397 0.50693775 0.69853690
0.45743861 0.77034550 0.85978423
0.39432769 0.84489899 0.70181168
0.16382766 0.74648160 0.26642573
0.21628747 0.67223537 0.62281842
0.06469953 0.62795550 0.53663453
0.03461679 0.67305069 0.36326234
0.64768766 0.34760433 0.25993469
0.15737115 0.40486689 0.23707933
0.36097247 0.39163881 0.23849930
0.34335672 0.27983063 0.08232001
0.13734703 0.27861392 0.08810338
0.24823645 0.66534054 0.09040396
0.26987530 0.48232330 0.83956056
0.26114606 0.62425566 0.73470581
0.17688104 0.10007317 0.68415814
0.35302410 0.87761939 0.90060727
0.36092390 0.05167671 0.93793299
0.25995204 0.16271801 0.83762720
0.28852270 0.12596295 0.32443454
0.09790080 0.13196891 0.10648560
0.91426783 0.86159042 0.01841082
0.95813245 0.04390134 0.58368931
0.03570705 0.79756115 0.78951743
0.77819997 0.98606476 0.39562509
0.72748138 0.34379453 0.11603448
0.78134950 0.57299843 0.89373584
0.88690413 0.56990694 0.31354724
0.08711894 0.58425515 0.06511896
0.47727060 0.28465620 0.69126764
0.86030930 0.72640998 0.80440612
0.64006566 0.67741009 0.54815169
0.68185685 0.97953271 0.91866942
0.58006881 0.99249466 0.59131680
0.85653497 0.30863988 0.69397423
0.45335456 0.43184851 0.81296533
0.54176748 0.69909261 0.99819942
0.48547648 0.26883621 0.19058897
0.68946301 0.53918737 0.23124338
0.35858717 0.76026687 0.53617129
0.27108106 0.56345214 0.19333341
0.19135767 0.36662894 0.92336985
0.28743836 0.30656472 0.39807373
0.29353827 0.09879645 0.13299006
0.22923827 0.79209778 0.77164765
0.00894666 0.98605475 0.09075200
0.97628816 0.89749908 0.66595552
0.75202881 0.41865132 0.96294958
0.00499600 0.59455192 0.20520416
0.77254675 0.68760186 0.65659936
0.62233303 0.01087268 0.75864957
0.50159356 0.58178682 0.87755974
0.60044795 0.39284332 0.22821694
0.24596536 0.48301255 0.04034907
0.28349925 0.18423166 0.27863925
0.80109708 0.22736152 0.30004825
0.95175325 0.24252308 0.31336024
0.87822110 0.18465287 0.43694840
0.78992849 0.99099632 0.57899736
0.62200968 0.18057914 0.70793083
0.77983121 0.13092354 0.64498049
0.39072210 0.31760339 0.96405723
0.47403163 0.12672905 0.82562794
0.52297476 0.15091307 0.97928618
0.39191268 0.14677070 0.44965373
0.36814800 0.04929901 0.57310217
0.48965599 0.14714941 0.57877169
0.85839548 0.43660612 0.84694878
0.07245071 0.55313049 0.72053127
0.03005399 0.47054720 0.84420143
0.99497581 0.19824138 0.68474476
0.08895986 0.19728924 0.81683500
0.04766038 0.33361699 0.74715175
0.33580964 0.47695896 0.55924524
0.48074408 0.49533518 0.52195078
0.37514072 0.58004068 0.44495601
0.35432671 0.89334812 0.36585367
0.32233160 0.79528553 0.24060302
0.42258696 0.75542396 0.35805368
0.29430904 0.84809709 0.07482420
0.14837012 0.79651155 0.07643744
0.19163581 0.90214887 0.96911849
0.26252659 0.90989145 0.55588547
0.14486369 0.00253386 0.55225141
0.12778384 0.84799519 0.58549648
No title
1
14.506564 -0.322062 -0.452327
-0.319008 13.821174 0.015266
-0.453316 0.018826 13.566376
C H O N F
110 60 25 10 30
Direct configuration= 46
0.07758099 0.04224054 0.95358356
0.92993131 0.02111455 0.75863206
0.95181037 0.94385821 0.82639829
0.02366600 0.95688518 0.92298973
0.06727287 0.06265298 0.05459857
0.97495907 0.92540324 0.01371926
0.95568168 -0.00237201 0.66162200
0.99228797 0.86779874 0.76144803
0.96434217 0.98854883 0.17855788
0.94552360 0.07711310 0.21909256
0.88682445 0.08206574 0.29577568
0.93158991 0.90169003 0.21916305
0.86980352 0.90545743 0.29202926
0.84373248 0.99436857 0.32648223
0.71175218 0.05261096 0.39643877
0.70838284 0.10614786 0.48521233
0.64874405 0.18358992 0.49151167
0.65055538 0.07040355 0.31707718
0.58708881 0.14213770 0.32677421
0.58868111 0.20079146 0.41139965
0.87896187 0.18266561 0.33676518
0.75984432 0.07761513 0.56830134
0.84604814 0.47243235 0.09304534
0.85532296 0.57577877 0.13439521
0.92096399 0.60066791 0.05173499
0.89735538 0.50113597 0.00594592
0.77056698 0.40444458 0.06727592
0.81778474 0.49786242 0.92507149
0.91412869 0.58121566 0.23021431
0.01471746 0.59584045 0.10333552
0.67781070 0.39201713 0.90462158
0.59345305 0.34417214 0.94448098
0.54289350 0.27929053 0.86670710
0.67124299 0.42026088 0.80270400
0.60468146 0.38226578 0.73653763
0.53501692 0.31444763 0.76550315
0.38228881 0.26542297 0.68424202
0.34553026 0.21288163 0.60155315
0.25163052 0.21667179 0.57398783
0.32338617 0.30701865 0.74650895
0.23083922 0.31170938 0.71649946
0.19465634 0.27068889 0.62804807
0.51412422 0.18913605 0.88976384
0.39960704 0.14105817 0.55127536
0.75242537 0.83923594 0.72948062
0.66528666 0.85114806 0.79219036
0.60775396 0.85295053 0.69281490
0.68911085 0.82580595 0.63521202
0.80306212 0.74764390 0.73983670
0.69343026 0.72270914 0.60605244
0.65846754 0.95294403 0.83424090
0.59758150 0.95915171 0.67391155
0.80676618 0.59660550 0.64035521
0.89590519 0.57953913 0.67609483
0.92237356 0.48356806 0.69601248
0.75405505 0.52116866 0.59226957
0.78247759 0.42726789 0.60464267
0.85649432 0.40461321 0.67020056
0.85330554 0.26691333 0.78869719
0.93628837 0.24132775 0.83580216
0.93725745 0.20106796 0.93054109
0.77054211 0.23534074 0.82625370
0.77153197 0.18609392 0.91643369
0.85433157 0.17361043 0.97153839
0.00761827 0.49445956 0.75377395
0.01641497 0.24202156 0.77328058
0.55307561 0.44313902 0.95846611
0.47664946 0.43329181 0.12471040
0.54607595 0.51682036 0.12868056
0.58418451 0.52900517 0.02310980
0.49859510 0.47957195 0.87854349
0.54128861 0.61616568 0.96779044
0.51044832 0.35443955 0.17753976
0.61832653 0.48224097 0.20257377
0.46987309 0.63157424 0.79172435
0.46030540 0.58049663 0.70243723
0.41883062 0.61805095 0.61703593
0.44623025 0.72816486 0.79223694
0.41026585 0.76876129 0.70475030
0.39309223 0.71416308 0.61870832
0.27537769 0.72789958 0.49191546
0.26164118 0.74966412 0.39170030
0.17489924 0.72867720 0.34435100
0.20624773 0.68176913 0.54356769
0.12052737 0.66022964 0.49552290
0.10415954 0.68535193 0.39674436
0.40208173 0.54486087 0.53441232
0.33996588 0.79771381 0.33963121
0.21228730 0.39680260 0.18640344
0.29915306 0.34385910 0.22504594
0.28993486 0.27673060 0.13473948
0.19864696 0.32709469 0.09832346
0.24430655 0.49253997 0.14445844
0.21020300 0.38986477 0.00911923
0.28882065 0.27917830 0.31282590
0.28694716 0.17489492 0.17641668
0.25594420 0.56277616 0.97502633
0.24963628 0.65573065 0.01145788
0.23772641 0.73681699 0.95125596
0.26129323 0.55198599 0.87310903
0.25484440 0.63294994 0.81332992
0.24088497 0.72604646 0.84802666
0.25272427 0.88930974 0.77868520
0.21115596 0.95342854 0.70910428
0.21362528 0.05128977 0.73387637
0.31490209 0.92689238 0.85243777
0.31863438 0.02529626 0.87386972
0.26285076 0.08683752 0.81843687
0.21894993 0.82126996 0.01553370
0.18555388 0.92890274 0.60286005
0.12887568 0.08088495 0.91237787
0.89482299 0.08529683 0.77665010
0.89272653 0.91171136 0.86455269
0.06693824 0.89749505 0.90277907
0.97769815 0.14293807 0.19070017
0.95106194 0.83316710 0.18972493
0.83819674 0.83966954 0.32196221
0.64370315 0.21591594 0.56426775
0.65189837 0.02889136 0.24912670
0.53553155 0.15496292 0.26698648
0.53679730 0.25467919 0.41672096
0.00995958 0.86804176 0.61075993
0.74022910 0.51016601 0.27181759
0.79175400 0.61524565 0.13648968
0.91047376 0.66412867 0.00411080
0.95441428 0.45808928 0.98476334
0.60868837 0.30499068 0.01321581
0.72327214 0.47132346 0.77745993
0.60198046 0.40429233 0.65944880
0.22331094 0.17527845 0.51036469
0.34875066 0.33746545 0.81665739
0.18834204 0.34623257 0.76715868
0.12184368 0.27434289 0.60488047
0.06088134 0.58893509 0.25436738
0.80144694 0.90189216 0.73428219
0.65353109 0.79476535 0.84743483
0.54318791 0.81092634 0.67964091
0.69959353 0.86916602 0.56906519
0.94030346 0.63969737 0.70514579
0.68896326 0.53670788 0.55240197
0.73903392 0.36693811 0.57427972
1.00315823 0.18879236 0.96957260
0.70565317 0.23920441 0.78135940
0.70709518 0.15535006 0.94296179
0.85378635 0.13812213 0.04342405
0.62315233 0.09161271 0.74834216
0.43847067 0.36030883 0.99651269
0.40626504 0.43934918 0.09520078
0.52176582 0.58694671 0.15231456
0.65912276 0.54702253 0.02522181
0.48093268 0.50698568 0.69852713
0.45738792 0.77039482 0.85979789
0.39427335 0.84489986 0.70177842
0.16377549 0.74655590 0.26638352
0.21635606 0.67206601 0.62275350
0.06471864 0.62791165 0.53658771
0.03457333 0.67317156 0.36324845
0.64760711 0.34767846 0.26007706
0.15738258 0.40489527 0.23716559
0.36094357 0.39158272 0.23860105
0.34329113 0.27981050 0.08233406
0.13728540 0.27859117 0.08819202
0.24822449 0.66534184 0.09043073
0.26986484 0.48225342 0.83958885
0.26119092 0.62417844 0.73470153
0.17694309 0.10010818 0.68420134
0.35305327 0.87761992 0.90068266
0.36093152 0.05168367 0.93805568
0.26001161 0.16275194 0.83771599
0.28838576 0.12590697 0.32446617
0.09789813 0.13188338 0.10652684
0.91427567 0.86143072 0.01843800
0.95798647 0.04381500 0.58358829
0.03572394 0.79751199 0.78944837
0.77817067 0.98608984 0.39565743
0.72743518 0.34389795 0.11608889
0.78128224 0.57305900 0.89383453
0.88688600 0.56981570 0.31364995
0.08712047 0.58436339 0.06521048
0.47724007 0.28461263 0.69127398
0.86035307 0.72635537 0.80440024
0.64011349 0.67738844 0.54790345
0.68189012 0.97955118 0.91863254
0.57994839 0.99244106 0.59126663
0.85671988 0.30861911 0.69388634
0.45334749 0.43190254 0.81299488
0.54192242 0.69918181 0.99820161
0.48539775 0.26891203 0.19068582
0.68943051 0.53927188 0.23135986
0.35859494 0.76022098 0.53612195
0.27112820 0.56340516 0.19335294
0.19126094 0.36660666 0.92346450
0.28726777 0.30654259 0.39812636
0.29354022 0.09877108 0.13302924
0.22930528 0.79208082 0.77164742
0.00892679 0.98596990 0.09078606
0.97620856 0.89739898 0.66589101
0.75200977 0.41865044 0.96297085
0.00497776 0.59449386 0.20531302
0.77254970 0.68757430 0.65647387
0.62230556 0.01084174 0.75859520
0.50165515 0.58184425 0.87758630
0.60038804 0.39293756 0.22832644
0.24591292 0.48298091 0.04038863
0.28339053 0.18419063 0.27867654
0.80107635 0.22736644 0.30014054
0.95172739 0.24254958 0.31335937
0.87828086 0.18466803 0.43700960
0.78977152 0.99102840 0.57905720
0.62199677 0.18061006 0.70797520
0.77973656 0.13099111 0.64501115
0.39071177 0.31768647 0.96410806
0.47407244 0.12666713 0.82562230
0.52297912 0.15086657 0.97931031
0.39181997 0.14668687 0.44957106
0.36826374 0.04924191 0.57310557
0.48967387 0.14723911 0.57861519
0.85833476 0.43673760 0.84689373
0.07248897 0.55313122 0.72049410
0.03003107 0.47053703 0.84415535
0.99518538 0.19805034 0.68481001
0.08916389 0.19749270 0.81693979
0.04767043 0.33363521 0.74694568
0.33582916 0.47698891 0.55915292
0.48079712 0.49523106 0.52197171
0.37531563 0.58003593 0.44489000
0.35430822 0.89336019 0.36583520
0.32230599 0.79530760 0.24054179
0.42256725 0.75542851 0.35799234
0.29448877 0.84819323 0.07470564
0.14858427 0.79655487 0.07659321
0.19162684 0.90213726 0.96912458
0.26247698 0.90989632 0.55586070
0.14476905 0.00247566 0.55231499
0.12780444 0.84792163 0.58561916
No title
1
14.507035 -0.322066 -0.452797
-0.319069 13.819981 0.014643
-0.453834 0.018205 13.564804
C H O N F
110 60 25 10 30
Direct configuration= 47
0.07753955 0.04217305 0.95360328
0.92993012 0.02102194 0.75859447
0.95179933 0.94380135 0.82637118
0.02363914 0.95679576 0.92299084
0.06726011 0.06258549 0.05462265
0.97494262 0.92529573 0.01373947
0.95559788 -0.00246032 0.66158217
0.99227457 0.86772385 0.76138578
0.96432517 0.98850767 0.17859910
0.94550976 0.07706383 0.21913152
0.88682102 0.08206832 0.29579634
0.93155656 0.90164065 0.21922307
0.86977734 0.90544428 0.29206962
0.84370712 0.99435920 0.32651713
0.71171819 0.05264364 0.39641879
0.70835586 0.10620882 0.48520408
0.64872163 0.18369999 0.49143869
0.65055207 0.07039803 0.31704626
0.58706933 0.14215421 0.32668599
0.58868217 0.20085712 0.41130525
0.87896101 0.18267614 0.33680630
0.75975368 0.07767405 0.56830846
0.84603696 0.47245597 0.09307403
0.85531385 0.57579378 0.13447427
0.92095104 0.60070691 0.05181353
0.89734221 0.50117096 0.00597956
0.77052592 0.40445602 0.06731927
0.81773234 0.49793505 0.92507866
0.91411943 0.58116955 0.23031557
0.01470453 0.59587126 0.10343141
0.67775912 0.39201056 0.90465226
0.59342839 0.34418344 0.94452015
0.54285856 0.27927876 0.86674678
0.67120391 0.42025917 0.80270038
0.60464437 0.38223779 0.73658129
0.53499501 0.31442200 0.76550807
0.38226641 0.26538292 0.68420447
0.34551659 0.21284199 0.60151816
0.25162248 0.21663980 0.57390590
0.32336905 0.30703888 0.74646904
0.23083664 0.31177529 0.71638846
0.19466231 0.27073890 0.62794847
0.51412113 0.18910028 0.88978562
0.39960946 0.14102861 0.55121186
0.75239306 0.83922041 0.72941550
0.66526753 0.85111218 0.79214526
0.60772295 0.85289952 0.69276048
0.68907736 0.82578543 0.63513591
0.80309749 0.74759698 0.73981031
0.69342725 0.72268313 0.60589744
0.65846530 0.95293411 0.83420524
0.59751415 0.95911238 0.67384994
0.80677439 0.59657368 0.64025002
0.89592514 0.57955506 0.67597922
0.92239879 0.48357407 0.69591843
0.75404863 0.52111041 0.59221997
0.78249035 0.42721062 0.60460953
0.85654550 0.40459346 0.67012756
0.85342686 0.26693286 0.78863474
0.93642999 0.24135042 0.83580224
0.93737136 0.20113098 0.93052201
0.77068863 0.23537855 0.82620685
0.77163739 0.18617900 0.91638559
0.85446448 0.17369400 0.97154136
0.00763956 0.49446527 0.75373170
0.01655335 0.24203754 0.77327004
0.55308370 0.44317092 0.95850709
0.47662565 0.43337133 0.12477269
0.54605672 0.51690184 0.12874250
0.58420390 0.52905000 0.02317514
0.49861118 0.47962019 0.87858019
0.54137024 0.61622155 0.96781553
0.51039266 0.35452497 0.17761924
0.61828847 0.48231850 0.20266868
0.46993548 0.63161565 0.79173500
0.46042129 0.58052305 0.70242161
0.41891612 0.61803963 0.61701679
0.44622058 0.72819776 0.79224021
0.41024723 0.76876404 0.70473210
0.39311207 0.71414233 0.61868365
0.27539068 0.72785304 0.49185978
0.26163324 0.74965471 0.39165809
0.17486991 0.72871673 0.34430446
0.20627909 0.68168532 0.54351605
0.12052989 0.66020025 0.49547524
0.10414107 0.68539855 0.39671963
0.40216389 0.54483891 0.53437716
0.33994898 0.79772050 0.33958354
0.21226726 0.39680667 0.18646888
0.29912092 0.34382915 0.22510192
0.28988815 0.27669431 0.13476887
0.19859745 0.32707841 0.09837157
0.24429299 0.49248050 0.14447177
0.21014221 0.38984994 0.00923044
0.28872131 0.27913714 0.31284935
0.28690188 0.17491577 0.17647167
0.25592050 0.56273712 0.97504209
0.24963112 0.65571795 0.01148093
0.23775314 0.73680388 0.95125815
0.26128737 0.55194142 0.87313678
0.25486939 0.63290276 0.81332132
0.24092262 0.72601857 0.84803705
0.25277664 0.88931308 0.77873302
0.21119524 0.95342137 0.70914028
0.21368161 0.05133087 0.73393501
0.31492682 0.92688490 0.85248595
0.31867141 0.02531425 0.87396650
0.26288895 0.08685132 0.81849072
0.21904161 0.82129319 0.01554783
0.18553657 0.92887598 0.60290504
0.12881387 0.08083671 0.91237290
0.89481864 0.08527131 0.77663652
0.89271008 0.91163336 0.86450800
0.06690595 0.89739677 0.90277931
0.97770969 0.14290838 0.19073084
0.95103038 0.83309855 0.18979390
0.83814798 0.83965346 0.32201799
0.64369407 0.21606901 0.56417932
0.65189210 0.02885493 0.24909187
0.53552080 0.15494079 0.26689896
0.53679955 0.25476713 0.41658434
0.00987976 0.86794088 0.61066198
0.74019954 0.51024061 0.27193680
0.79175045 0.61526537 0.13658557
0.91046174 0.66418432 0.00421093
0.95439321 0.45812589 0.98477529
0.60865913 0.30500212 0.01327150
0.72322604 0.47131354 0.77747489
0.60192773 0.40426868 0.65944156
0.22329856 0.17525568 0.51028186
0.34873752 0.33749537 0.81661277
0.18834675 0.34637605 0.76702231
0.12186570 0.27443496 0.60471894
0.06086858 0.58887159 0.25448166
0.80140871 0.90188466 0.73423624
0.65352834 0.79473738 0.84739945
0.54316972 0.81084647 0.67958644
0.69952925 0.86917361 0.56899644
0.94032652 0.63972512 0.70499248
0.68894148 0.53662770 0.55236006
0.73904609 0.36685220 0.57426103
1.00327877 0.18885250 0.96959267
0.70577828 0.23924197 0.78128682
0.70721763 0.15545870 0.94293687
0.85389385 0.13823957 0.04343370
0.62312875 0.09159299 0.74831945
0.43844942 0.36037562 0.99662539
0.40621914 0.43945379 0.09527302
0.52175935 0.58704301 0.15236397
0.65914429 0.54703794 0.02533430
0.48112453 0.50703494 0.69851912
0.45734060 0.77043788 0.85980710
0.39422332 0.84490002 0.70174804
0.16372761 0.74662481 0.26634679
0.21641894 0.67190953 0.62269222
0.06473756 0.62787170 0.53654358
0.03453431 0.67328375 0.36323622
0.64752889 0.34775057 0.26020676
0.15739256 0.40492126 0.23724538
0.36091841 0.39153202 0.23869532
0.34322977 0.27979246 0.08234796
0.13722678 0.27856952 0.08827492
0.24821313 0.66534391 0.09045644
0.26985585 0.48218523 0.83961157
0.26123185 0.62410837 0.73470173
0.17700337 0.10013592 0.68424465
0.35308252 0.87761906 0.90075444
0.36093641 0.05168867 0.93816484
0.26006658 0.16278442 0.83779827
0.28825819 0.12585937 0.32449440
0.09789493 0.13180373 0.10656600
0.91430428 0.86130586 0.01846090
0.95785168 0.04372819 0.58350630
0.03574307 0.79746243 0.78938733
0.77814350 0.98611254 0.39568943
0.72738870 0.34398559 0.11614496
0.78123079 0.57309367 0.89393772
0.88686960 0.56973243 0.31373826
0.08711704 0.58446410 0.06529696
0.47721117 0.28457111 0.69128350
0.86028467 0.72634770 0.80427302
0.64018292 0.67739016 0.54770185
0.68191423 0.97956072 0.91857439
0.57983753 0.99239107 0.59122189
0.85689083 0.30859813 0.69380720
0.45333551 0.43194668 0.81301481
0.54206535 0.69927959 0.99820912
0.48532977 0.26899406 0.19077432
0.68939796 0.53935125 0.23146521
0.35860290 0.76017767 0.53607791
0.27120084 0.56344009 0.19342285
0.19114631 0.36655465 0.92342772
0.28711050 0.30652514 0.39818424
0.29354790 0.09867128 0.13302311
0.22936552 0.79206694 0.77164407
0.00891169 0.98589101 0.09080774
0.97612245 0.89732252 0.66586115
0.75201762 0.41866226 0.96300573
0.00495107 0.59444048 0.20540374
0.77254526 0.68757033 0.65636503
0.62227959 0.01081534 0.75854506
0.50171028 0.58190048 0.87760598
0.60033410 0.39301281 0.22843193
0.24586975 0.48296487 0.04041746
0.28328956 0.18413977 0.27871070
0.80105705 0.22737105 0.30022539
0.95170316 0.24257306 0.31335862
0.87833595 0.18468229 0.43706732
0.78962358 0.99106224 0.57911222
0.62198523 0.18063679 0.70801681
0.77965371 0.13106451 0.64505365
0.39071258 0.31777260 0.96416127
0.47410928 0.12660977 0.82561744
0.52298369 0.15082444 0.97933327
0.39173433 0.14660877 0.44949464
0.36837094 0.04918736 0.57310983
0.48969167 0.14732194 0.57847092
0.85827870 0.43686035 0.84684546
0.07252198 0.55313058 0.72046054
0.03000506 0.47053156 0.84409317
0.99537963 0.19787308 0.68487088
0.08935460 0.19767961 0.81703939
0.04768026 0.33365217 0.74675525
0.33584754 0.47701730 0.55906727
0.48084802 0.49513359 0.52199095
0.37547762 0.58003234 0.44482755
0.35429109 0.89337211 0.36581800
0.32228135 0.79532794 0.24048301
0.42254936 0.75543291 0.35793494
0.29465780 0.84828434 0.07459844
0.14878273 0.79659611 0.07673832
0.19161771 0.90212746 0.96913004
0.26243092 0.90990140 0.55583851
0.14468201 0.00242096 0.55237441
0.12782467 0.84785402 0.58573328
No title
1
14.507357 -0.322040 -0.453065
-0.319088 13.819096 0.014094
-0.454137 0.017660 13.563813
C H O N F
110 60 25 10 30
Direct configuration= 48
0.07751076 0.04212396 0.95361524
0.92991847 0.02097774 0.75858265
0.95179208 0.94375314 0.82635478
0.02362016 0.95673674 0.92299056
0.06724269 0.06252206 0.05462740
0.97492242 0.92521307 0.01375332
0.95554129 -0.00249529 0.66151058
0.99225046 0.86769729 0.76135431
0.96431001 0.98845563 0.17862815
0.94551148 0.07705184 0.21914802
0.88680707 0.08205830 0.29582238
0.93154460 0.90161740 0.21925078
0.86975003 0.90541981 0.29210720
0.84369200 0.99436970 0.32654047
0.71170462 0.05266278 0.39641737
0.70832655 0.10625855 0.48518763
0.64871944 0.18376852 0.49140208
0.65053766 0.07039972 0.31701342
0.58706601 0.14216071 0.32663346
0.58866929 0.20090753 0.41122567
0.87896319 0.18268325 0.33683522
0.75969988 0.07771206 0.56832605
0.84602317 0.47246508 0.09309473
0.85530570 0.57580291 0.13452710
0.92094304 0.60073301 0.05186838
0.89733042 0.50119488 0.00600295
0.77054134 0.40451702 0.06731847
0.81772216 0.49794580 0.92511294
0.91410792 0.58113794 0.23037674
0.01469895 0.59589203 0.10348821
0.67774110 0.39201551 0.90468074
0.59340834 0.34419104 0.94454521
0.54283172 0.27926407 0.86677398
0.67118764 0.42026141 0.80271699
0.60460904 0.38221967 0.73657931
0.53497550 0.31439864 0.76551926
0.38224628 0.26537058 0.68420323
0.34550287 0.21280146 0.60147696
0.25161491 0.21663222 0.57386892
0.32335587 0.30704198 0.74641924
0.23084363 0.31183175 0.71633482
0.19466581 0.27075733 0.62785436
0.51412078 0.18908421 0.88979615
0.39960894 0.14101123 0.55117059
0.75237297 0.83920348 0.72937263
0.66525580 0.85109221 0.79211081
0.60769760 0.85286255 0.69272157
0.68905525 0.82576951 0.63508051
0.80306810 0.74759140 0.73973743
0.69344687 0.72268702 0.60581738
0.65846324 0.95292403 0.83417871
0.59747455 0.95907277 0.67383402
0.80678160 0.59655971 0.64018054
0.89593638 0.57956120 0.67589784
0.92241778 0.48357809 0.69585564
0.75404159 0.52106710 0.59218344
0.78249878 0.42717005 0.60458615
0.85658155 0.40458496 0.67007644
0.85354107 0.26694347 0.78860120
0.93651021 0.24138154 0.83576780
0.93746847 0.20116526 0.93053394
0.77075999 0.23541060 0.82615115
0.77174208 0.18622932 0.91638070
0.85452626 0.17375633 0.97152531
0.00765202 0.49447535 0.75368648
0.01664653 0.24204681 0.77326749
0.55309197 0.44319489 0.95853668
0.47660738 0.43343160 0.12481458
0.54604263 0.51695227 0.12878480
0.58421596 0.52907963 0.02321831
0.49861815 0.47964882 0.87859843
0.54142597 0.61626694 0.96783374
0.51034969 0.35456897 0.17767706
0.61826805 0.48238537 0.20273292
0.46997700 0.63164672 0.79173844
0.46050436 0.58053820 0.70241670
0.41897289 0.61803621 0.61699979
0.44621498 0.72821797 0.79224342
0.41023450 0.76876814 0.70472060
0.39312462 0.71412512 0.61866300
0.27539606 0.72781520 0.49183493
0.26162437 0.74965133 0.39161321
0.17485440 0.72874316 0.34428315
0.20629705 0.68162848 0.54347097
0.12054173 0.66018077 0.49545235
0.10412152 0.68543229 0.39669066
0.40222150 0.54482299 0.53435327
0.33993605 0.79772424 0.33955407
0.21226205 0.39680532 0.18650509
0.29909239 0.34380609 0.22513514
0.28985754 0.27667707 0.13478902
0.19855917 0.32706316 0.09841232
0.24429955 0.49248649 0.14451112
0.21008978 0.38982909 0.00924354
0.28865223 0.27913114 0.31293688
0.28687571 0.17484864 0.17646837
0.25590371 0.56272425 0.97506563
0.24962815 0.65570070 0.01148805
0.23777133 0.73679673 0.95127501
0.26128447 0.55190598 0.87313924
0.25488590 0.63287255 0.81332867
0.24094897 0.72599603 0.84802691
0.25279919 0.88931104 0.77874783
0.21122604 0.95343211 0.70917638
0.21370880 0.05133441 0.73395069
0.31495865 0.92689650 0.85253912
0.31868364 0.02531188 0.87401287
0.26293141 0.08687538 0.81855473
0.21910590 0.82130951 0.01555576
0.18552572 0.92885844 0.60293749
0.12877286 0.08080553 0.91236639
0.89482156 0.08524365 0.77662402
0.89269964 0.91158049 0.86447700
0.06688424 0.89732922 0.90277855
0.97771301 0.14287881 0.19075585
0.95100778 0.83305161 0.18984188
0.83811738 0.83964818 0.32205379
0.64368679 0.21617416 0.56411564
0.65188829 0.02883033 0.24907021
0.53550989 0.15492681 0.26683419
0.53680406 0.25482471 0.41649002
0.00980940 0.86788502 0.61061731
0.74017674 0.51029392 0.27201734
0.79174805 0.61527920 0.13665229
0.91045345 0.66422324 0.00428024
0.95437791 0.45815112 0.98478254
0.60863896 0.30500901 0.01331121
0.72319399 0.47130675 0.77748368
0.60189239 0.40424888 0.65944768
0.22328814 0.17523520 0.51021988
0.34873059 0.33751967 0.81658933
0.18835216 0.34647300 0.76692421
0.12188307 0.27449891 0.60460935
0.06085167 0.58882860 0.25455318
0.80138283 0.90188004 0.73420390
0.65352592 0.79471604 0.84737654
0.54315958 0.81079313 0.67954903
0.69948535 0.86917807 0.56894954
0.94034367 0.63974539 0.70488702
0.68892734 0.53657175 0.55233244
0.73905508 0.36679343 0.57424867
1.00335408 0.18889623 0.96960102
0.70587549 0.23926693 0.78124425
0.70729611 0.15553143 0.94291979
0.85396962 0.13831865 0.04344481
0.62311245 0.09157729 0.74830451
0.43843414 0.36042152 0.99670305
0.40618974 0.43952562 0.09532376
0.52175430 0.58711159 0.15239850
0.65915983 0.54704834 0.02541160
0.48125665 0.50707033 0.69851391
0.45730800 0.77046768 0.85981346
0.39418893 0.84489928 0.70172695
0.16369406 0.74667390 0.26631785
0.21646259 0.67180130 0.62265244
0.06474879 0.62784306 0.53651362
0.03451133 0.67336221 0.36323001
0.64747503 0.34780026 0.26029741
0.15739402 0.40494026 0.23730523
0.36090381 0.39149946 0.23876094
0.34318727 0.27977906 0.08235691
0.13718812 0.27855580 0.08833122
0.24820545 0.66534513 0.09047795
0.26984889 0.48214247 0.83962960
0.26126045 0.62406032 0.73469771
0.17704517 0.10015542 0.68427602
0.35310142 0.87761906 0.90080166
0.36094513 0.05169557 0.93824811
0.26010381 0.16279999 0.83785249
0.28817009 0.12582231 0.32451678
0.09789959 0.13176458 0.10660489
0.91433103 0.86122647 0.01847647
0.95775747 0.04364462 0.58348682
0.03576897 0.79740506 0.78935104
0.77812333 0.98612798 0.39571033
0.72732728 0.34400479 0.11621446
0.78117366 0.57316021 0.89398959
0.88685741 0.56967414 0.31380537
0.08710919 0.58453411 0.06536101
0.47719646 0.28454367 0.69128780
0.86028338 0.72632287 0.80423721
0.64021291 0.67737525 0.54754141
0.68193170 0.97956810 0.91853571
0.57975495 0.99236681 0.59116707
0.85700782 0.30857974 0.69375491
0.45333061 0.43198101 0.81303312
0.54216386 0.69934080 0.99821204
0.48528647 0.26906283 0.19083467
0.68937496 0.53940132 0.23153883
0.35861169 0.76014845 0.53604889
0.27123627 0.56342502 0.19344478
0.19107890 0.36653267 0.92345610
0.28700343 0.30649567 0.39816539
0.29354732 0.09867158 0.13305742
0.22940862 0.79205508 0.77164898
0.00890172 0.98584216 0.09082910
0.97608218 0.89724659 0.66579542
0.75199777 0.41865920 0.96301448
0.00494839 0.59440257 0.20548061
0.77254431 0.68755659 0.65628593
0.62226013 0.01080141 0.75850781
0.50175000 0.58193856 0.87762340
0.60029523 0.39305823 0.22850559
0.24583704 0.48294452 0.04043955
0.28321905 0.18411202 0.27872312
0.80104259 0.22737454 0.30028330
0.95168661 0.24258948 0.31335808
0.87837351 0.18469137 0.43710570
0.78951944 0.99108804 0.57914927
0.62197741 0.18065571 0.70804575
0.77959557 0.13111343 0.64507713
0.39071283 0.31783223 0.96419875
0.47413387 0.12657045 0.82561476
0.52298725 0.15079408 0.97935303
0.39167515 0.14655416 0.44944225
0.36844565 0.04915004 0.57311344
0.48970591 0.14737830 0.57837095
0.85824033 0.43694452 0.84680835
0.07254191 0.55312827 0.72043953
0.02999035 0.47052332 0.84406324
0.99551341 0.19775177 0.68491411
0.08948814 0.19780887 0.81710779
0.04768627 0.33366311 0.74662378
0.33586030 0.47703725 0.55900819
0.48088351 0.49506602 0.52200459
0.37558991 0.58003037 0.44478431
0.35427915 0.89338047 0.36580543
0.32226318 0.79534197 0.24044130
0.42253757 0.75543627 0.35789427
0.29477473 0.84834708 0.07452453
0.14892096 0.79662477 0.07683958
0.19161104 0.90212015 0.96913419
0.26240012 0.90990494 0.55582197
0.14462136 0.00238395 0.55241574
0.12783756 0.84780563 0.58581172
No title
1
14.508153 -0.321999 -0.453827
-0.319153 13.816934 0.012872
-0.454980 0.016443 13.561293
C H O N F
110 60 25 10 30
Direct configuration= 49
0.07744576 0.04200424 0.95362637
0.92988348 0.02088447 0.75853347
0.95177428 0.94363164 0.82631353
0.02356611 0.95658183 0.92299086
0.06720966 0.06239900 0.05468358
0.97492341 0.92506108 0.01377911
0.95539801 -0.00264608 0.66144014
0.99223267 0.86755985 0.76127624
0.96428344 0.98836164 0.17868969
0.94550227 0.07699911 0.21920231
0.88678661 0.08204873 0.29587423
0.93149910 0.90153219 0.21933783
0.86969324 0.90538360 0.29218966
0.84365185 0.99436855 0.32659876
0.71166229 0.05271087 0.39640240
0.70825487 0.10638549 0.48514657
0.64869646 0.18393937 0.49127671
0.65051331 0.07039724 0.31693919
0.58705069 0.14218083 0.32649706
0.58865880 0.20102678 0.41105270
0.87896408 0.18270077 0.33690518
0.75956358 0.07781667 0.56838110
0.84600109 0.47249967 0.09315095
0.85528941 0.57582274 0.13466086
0.92092118 0.60079689 0.05200552
0.89729834 0.50125668 0.00605612
0.77048577 0.40455058 0.06739495
0.81766682 0.49802902 0.92516180
0.91408430 0.58105901 0.23053633
0.01466832 0.59594561 0.10364679
0.67769091 0.39202802 0.90473352
0.59335764 0.34420141 0.94461801
0.54277167 0.27924993 0.86683102
0.67112059 0.42024561 0.80275514
0.60454212 0.38218570 0.73659347
0.53492892 0.31433812 0.76555391
0.38220836 0.26531230 0.68415619
0.34547747 0.21272212 0.60140423
0.25160007 0.21658917 0.57374701
0.32332553 0.30707291 0.74634021
0.23084489 0.31195322 0.71615816
0.19467756 0.27083113 0.62766550
0.51411435 0.18902249 0.88983289
0.39961285 0.14096080 0.55106485
0.75232252 0.83916727 0.72926443
0.66522585 0.85103731 0.79202804
0.60764054 0.85277165 0.69262750
0.68900042 0.82573490 0.63494471
0.80303181 0.74755901 0.73959355
0.69345381 0.72265165 0.60556631
0.65845296 0.95289404 0.83409249
0.59735889 0.95900830 0.67372409
0.80679466 0.59652034 0.64000221
0.89596694 0.57957093 0.67569631
0.92247145 0.48359633 0.69570283
0.75402703 0.52096198 0.59209509
0.78251354 0.42706478 0.60452326
0.85667655 0.40455641 0.66995362
0.85377723 0.26697280 0.78850739
0.93673904 0.24143991 0.83572424
0.93767930 0.20126245 0.93053176
0.77098437 0.23548483 0.82604195
0.77195886 0.18636682 0.91632800
0.85472592 0.17390542 0.97151188
0.00767306 0.49449324 0.75357001
0.01688228 0.24207157 0.77325833
0.55310932 0.44325568 0.95861028
0.47654741 0.43357852 0.12491050
0.54601199 0.51708425 0.12889118
0.58424692 0.52915475 0.02332587
0.49863734 0.47972307 0.87864705
0.54156596 0.61638282 0.96788214
0.51026065 0.35471697 0.17781868
0.61820508 0.48251309 0.20289904
0.47008142 0.63172038 0.79174491
0.46070771 0.58058893 0.70240425
0.41911849 0.61801917 0.61696061
0.44619938 0.72826921 0.79224521
0.41020446 0.76877209 0.70469197
0.39315821 0.71408811 0.61861872
0.27541440 0.72773019 0.49174911
0.26160884 0.74963876 0.39152624
0.17480914 0.72881180 0.34421463
0.20634703 0.68148392 0.54337823
0.12055832 0.66013394 0.49537244
0.10408263 0.68551350 0.39664104
0.40236676 0.54478594 0.53429203
0.33990500 0.79773546 0.33947474
0.21224283 0.39680523 0.18660182
0.29902674 0.34375093 0.22522962
0.28977819 0.27662495 0.13484284
0.19846672 0.32702843 0.09850909
0.24430712 0.49247649 0.14459607
0.20995952 0.38977695 0.00928754
0.28848262 0.27905129 0.31294126
0.28680170 0.17480283 0.17652759
0.25586325 0.56266999 0.97510435
0.24961953 0.65567477 0.01152688
0.23781883 0.73677357 0.95129728
0.26127603 0.55182411 0.87316235
0.25492875 0.63278926 0.81333340
0.24101344 0.72595198 0.84802515
0.25287411 0.88930889 0.77881131
0.21129637 0.95345086 0.70925004
0.21379845 0.05136227 0.73403016
0.31502074 0.92690088 0.85264755
0.31873146 0.02532742 0.87415539
0.26301441 0.08691365 0.81867521
0.21926756 0.82135349 0.01558081
0.18549904 0.92881035 0.60301973
0.12866500 0.08072499 0.91235343
0.89483420 0.08516364 0.77659217
0.89267284 0.91144684 0.86439910
0.06683076 0.89716064 0.90277590
0.97772622 0.14281308 0.19081398
0.95095130 0.83293834 0.18996141
0.83803761 0.83962611 0.32214653
0.64366792 0.21644134 0.56396859
0.65187835 0.02876832 0.24901538
0.53548386 0.15489144 0.26667284
0.53680945 0.25497294 0.41625382
0.00965062 0.86772886 0.61048264
0.74011825 0.51042668 0.27221686
0.79174065 0.61531337 0.13681875
0.91043239 0.66432049 0.00445304
0.95434064 0.45821334 0.98480138
0.60858965 0.30503102 0.01340554
0.72312385 0.47129915 0.77750168
0.60180394 0.40419915 0.65945861
0.22326646 0.17518900 0.51007600
0.34870870 0.33757440 0.81651586
0.18836214 0.34671965 0.76668704
0.12192328 0.27465718 0.60433365
0.06081805 0.58871978 0.25473962
0.80131832 0.90186687 0.73412241
0.65352079 0.79466454 0.84731665
0.54313126 0.81065815 0.67945466
0.69937596 0.86918911 0.56883163
0.94038649 0.63979658 0.70462456
0.68889133 0.53643241 0.55226404
0.73908065 0.36664950 0.57422020
1.00355504 0.18900392 0.96963095
0.70610175 0.23933032 0.78112749
0.70749943 0.15571479 0.94287701
0.85415639 0.13851961 0.04346518
0.62307067 0.09154139 0.74826503
0.43840103 0.36054155 0.99690157
0.40612525 0.43970504 0.09545478
0.52174157 0.58728068 0.15248288
0.65919842 0.54707417 0.02560305
0.48158845 0.50715245 0.69850079
0.45722735 0.77054316 0.85983183
0.39410284 0.84489958 0.70167421
0.16361148 0.74679638 0.26625175
0.21657044 0.67153185 0.62254708
0.06477774 0.62777145 0.53643976
0.03444865 0.67355790 0.36321133
0.64734791 0.34791935 0.26052673
0.15740072 0.40498765 0.23745014
0.36086338 0.39141584 0.23892248
0.34308237 0.27974718 0.08237840
0.13709013 0.27852067 0.08847172
0.24818659 0.66534581 0.09052355
0.26983201 0.48203260 0.83967191
0.26133130 0.62394258 0.73469269
0.17714575 0.10020721 0.68434796
0.35315093 0.87761921 0.90092098
0.36096081 0.05170759 0.93844470
0.26019747 0.16284876 0.83799189
0.28794899 0.12573488 0.32456526
0.09789717 0.13163517 0.10667463
0.91435369 0.86098121 0.01852003
0.95752388 0.04349198 0.58335083
0.03579481 0.79732381 0.78924074
0.77807351 0.98616916 0.39576275
0.72724578 0.34415222 0.11630902
0.78105637 0.57327036 0.89414611
0.88682696 0.56952964 0.31396641
0.08710784 0.58470547 0.06550956
0.47714932 0.28447323 0.69129800
0.86024831 0.72627290 0.80411243
0.64032782 0.67737332 0.54718545
0.68198097 0.97959219 0.91845746
0.57956407 0.99227804 0.59109418
0.85730070 0.30853952 0.69362038
0.45331586 0.43206494 0.81307682
0.54240933 0.69949025 0.99821790
0.48516585 0.26919989 0.19098986
0.68932552 0.53953325 0.23172548
0.35863001 0.76007375 0.53597476
0.27133146 0.56340735 0.19351249
0.19090988 0.36647604 0.92351605
0.28673399 0.30647786 0.39829824
0.29355458 0.09856952 0.13308308
0.22951407 0.79202621 0.77165489
0.00887061 0.98570998 0.09088214
0.97595933 0.89708300 0.66567706
0.75196982 0.41866071 0.96304818
0.00492404 0.59430814 0.20565761
0.77254062 0.68752941 0.65609255
0.62221270 0.01075847 0.75841914
0.50184880 0.58203239 0.87766575
0.60019462 0.39320713 0.22868021
0.24575782 0.48290197 0.04049442
0.28304283 0.18403499 0.27877477
0.80100937 0.22738148 0.30042843
0.95164589 0.24262910 0.31335688
0.87846745 0.18471420 0.43720231
0.78926068 0.99115355 0.57924239
0.62195808 0.18070175 0.70811842
0.77944978 0.13122747 0.64512088
0.39070593 0.31797489 0.96428660
0.47419589 0.12647643 0.82561091
0.52299622 0.15072301 0.97939599
0.39152757 0.14641717 0.44931488
0.36863303 0.04905794 0.57312347
0.48973726 0.14752012 0.57812024
0.85814426 0.43715685 0.84671877
0.07259577 0.55312861 0.72038636
0.02995526 0.47050145 0.84399211
0.99584790 0.19744857 0.68502045
0.08981565 0.19813443 0.81727707
0.04770169 0.33368771 0.74629647
0.33589077 0.47708558 0.55886162
0.48096870 0.49489850 0.52203968
0.37587047 0.58002424 0.44467925
0.35424870 0.89340017 0.36577385
0.32221765 0.79537694 0.24034064
0.42250678 0.75544540 0.35779219
0.29506369 0.84850397 0.07433749
0.14926510 0.79669685 0.07709473
0.19159397 0.90210066 0.96914458
0.26232319 0.90991516 0.55578158
0.14446902 0.00229273 0.55251944
0.12787292 0.84768745 0.58600838
No title
1
14.508714 -0.321974 -0.454316
-0.319202 13.815478 0.011995
-0.455533 0.015571 13.559410
C H O N F
110 60 25 10 30
Direct configuration= 50
0.07740129 0.04192133 0.95362813
0.92985845 0.02081257 0.75850889
0.95176429 0.94354612 0.82628062
0.02353543 0.95648687 0.92299716
0.06719105 0.06232408 0.05472522
0.97490099 0.92493432 0.01380225
0.95530830 -0.00276471 0.66137268
0.99221357 0.86747541 0.76119760
0.96426772 0.98831292 0.17872881
0.94548683 0.07694716 0.21924819
0.88678187 0.08205069 0.29590124
0.93145785 0.90146589 0.21940886
0.86966170 0.90537262 0.29223844
0.84362343 0.99435262 0.32663892
0.71162096 0.05275068 0.39638070
0.70822587 0.10646029 0.48514707
0.64866697 0.18406046 0.49117271
0.65050462 0.07039329 0.31690019
0.58703379 0.14219778 0.32639772
0.58866561 0.20110070 0.41094635
0.87896316 0.18271155 0.33695223
0.75944673 0.07790322 0.56837400
0.84598799 0.47252174 0.09319359
0.85527658 0.57583526 0.13475169
0.92090379 0.60083785 0.05210002
0.89727355 0.50129722 0.00609163
0.77044760 0.40457546 0.06744552
0.81760769 0.49811979 0.92517293
0.91407319 0.58100464 0.23064714
0.01466453 0.59597967 0.10375432
0.67765145 0.39203537 0.90476209
0.59332575 0.34420282 0.94467872
0.54273050 0.27924018 0.86686989
0.67106216 0.42022863 0.80276690
0.60450910 0.38216569 0.73662523
0.53489688 0.31429790 0.76557077
0.38218454 0.26526243 0.68410838
0.34546142 0.21267841 0.60136926
0.25159335 0.21654792 0.57365087
0.32330741 0.30710032 0.74629797
0.23083687 0.31203050 0.71602332
0.19468891 0.27089310 0.62755637
0.51411160 0.18898317 0.88986237
0.39961816 0.14092344 0.55099347
0.75228966 0.83914663 0.72918828
0.66520411 0.85099480 0.79197301
0.60761002 0.85271720 0.69256258
0.68896090 0.82570548 0.63485556
0.80299911 0.74753729 0.73948700
0.69347936 0.72264747 0.60541706
0.65844387 0.95287906 0.83402827
0.59728602 0.95895263 0.67368102
0.80679441 0.59649405 0.63987665
0.89599468 0.57957727 0.67556104
0.92250665 0.48361134 0.69559595
0.75402005 0.52089328 0.59203741
0.78252337 0.42698870 0.60447987
0.85674169 0.40452841 0.66987097
0.85391805 0.26699383 0.78843841
0.93690064 0.24146704 0.83572681
0.93781040 0.20133805 0.93050671
0.77116506 0.23553031 0.82598863
0.77207960 0.18646615 0.91626991
0.85488483 0.17400537 0.97151328
0.00769104 0.49449498 0.75351596
0.01704886 0.24208844 0.77324371
0.55311643 0.44330045 0.95865475
0.47649871 0.43367485 0.12497462
0.54599287 0.51718394 0.12896442
0.58426991 0.52920480 0.02339872
0.49865475 0.47977457 0.87868752
0.54166145 0.61645750 0.96791404
0.51020032 0.35482652 0.17791378
0.61816356 0.48260728 0.20300993
0.47015334 0.63177230 0.79175091
0.46084475 0.58062938 0.70239299
0.41922080 0.61800381 0.61693683
0.44618936 0.72830057 0.79224452
0.41018294 0.76877330 0.70466886
0.39318431 0.71406424 0.61859581
0.27543169 0.72767751 0.49168005
0.26159820 0.74962613 0.39148230
0.17477423 0.72886036 0.34416061
0.20638238 0.68138488 0.54331675
0.12056084 0.66009998 0.49531394
0.10406672 0.68557059 0.39661627
0.40246262 0.54476082 0.53425047
0.33988595 0.79774480 0.33941565
0.21220945 0.39680593 0.18668525
0.29899632 0.34372565 0.22528998
0.28972337 0.27658683 0.13487768
0.19840577 0.32700769 0.09856766
0.24431610 0.49247414 0.14464795
0.20987164 0.38974120 0.00932226
0.28836142 0.27903134 0.31307255
0.28675593 0.17469960 0.17651745
0.25583654 0.56262661 0.97511957
0.24961375 0.65566143 0.01156079
0.23785342 0.73675491 0.95129746
0.26126979 0.55176846 0.87319132
0.25495815 0.63273595 0.81332854
0.24105762 0.72592277 0.84804309
0.25293600 0.88930971 0.77886935
0.21134182 0.95345008 0.70929199
0.21387020 0.05140287 0.73410660
0.31505246 0.92689072 0.85270683
0.31877560 0.02534946 0.87426959
0.26305696 0.08692501 0.81873378
0.21937540 0.82138530 0.01560307
0.18547981 0.92877828 0.60307373
0.12858612 0.08066765 0.91234657
0.89483900 0.08511626 0.77657394
0.89265151 0.91135412 0.86434816
0.06679497 0.89704498 0.90277263
0.97773848 0.14277416 0.19085061
0.95091316 0.83286022 0.19004081
0.83798134 0.83960587 0.32221186
0.64365437 0.21662458 0.56387106
0.65187097 0.02872455 0.24897627
0.53546980 0.15486690 0.26656531
0.53680813 0.25507778 0.41609156
0.00955636 0.86761056 0.61036682
0.74008162 0.51051495 0.27235649
0.79173622 0.61533596 0.13693256
0.91041752 0.66438775 0.00457142
0.95431435 0.45825643 0.98481442
0.60855506 0.30505014 0.01346295
0.72307786 0.47129536 0.77751418
0.60174404 0.40416586 0.65945876
0.22325408 0.17515911 0.50998476
0.34869254 0.33761141 0.81646216
0.18836892 0.34688947 0.76652589
0.12194858 0.27476454 0.60414441
0.06080306 0.58864402 0.25487348
0.80127330 0.90185445 0.73406572
0.65351832 0.79463172 0.84727241
0.54310755 0.81056289 0.67938901
0.69930256 0.86919822 0.56874755
0.94041413 0.63983002 0.70444426
0.68886522 0.53633657 0.55221767
0.73910006 0.36655187 0.57420221
1.00369868 0.18907756 0.96965662
0.70624522 0.23937455 0.78104057
0.70764424 0.15584136 0.94284637
0.85428279 0.13865802 0.04347713
0.62304140 0.09151717 0.74823850
0.43838273 0.36062861 0.99704114
0.40608536 0.43982830 0.09554597
0.52173426 0.58739147 0.15253792
0.65922435 0.54709154 0.02573205
0.48181664 0.50720603 0.69849240
0.45717269 0.77059535 0.85984543
0.39404427 0.84489963 0.70163823
0.16355582 0.74688099 0.26621074
0.21664375 0.67134727 0.62247537
0.06480081 0.62772380 0.53638723
0.03440101 0.67369179 0.36319624
0.64725486 0.34800771 0.26068040
0.15741523 0.40501924 0.23753882
0.36082824 0.39135303 0.23903161
0.34301057 0.27972518 0.08239289
0.13702154 0.27849594 0.08856815
0.24817386 0.66534456 0.09055325
0.26982061 0.48195652 0.83969883
0.26137936 0.62386405 0.73469270
0.17721423 0.10024123 0.68439599
0.35318707 0.87761895 0.90100369
0.36096769 0.05171242 0.93857176
0.26026164 0.16288790 0.83808922
0.28779697 0.12567585 0.32459721
0.09789215 0.13154102 0.10671696
0.91438886 0.86083552 0.01854852
0.95736081 0.04339132 0.58326049
0.03581707 0.79725897 0.78917103
0.77804466 0.98619398 0.39579957
0.72718877 0.34425185 0.11637487
0.78099098 0.57331201 0.89427115
0.88680530 0.56943158 0.31407459
0.08709449 0.58482332 0.06561623
0.47711725 0.28442508 0.69130886
0.86023052 0.72623563 0.80403404
0.64038767 0.67735528 0.54692233
0.68201524 0.97960729 0.91840268
0.57942831 0.99222859 0.59101769
0.85750089 0.30851752 0.69352476
0.45330357 0.43212145 0.81310467
0.54257701 0.69959505 0.99822293
0.48508163 0.26928976 0.19109825
0.68928578 0.53962450 0.23184842
0.35863844 0.76002246 0.53592024
0.27139496 0.56339184 0.19355885
0.19079422 0.36643662 0.92355280
0.28655221 0.30643131 0.39827574
0.29355453 0.09856198 0.13313643
0.22958438 0.79201024 0.77165418
0.00884900 0.98561607 0.09091211
0.97585670 0.89699196 0.66564712
0.75196372 0.41866594 0.96308006
0.00489026 0.59424368 0.20576492
0.77253927 0.68750776 0.65596089
0.62218031 0.01072227 0.75835832
0.50191540 0.58209684 0.87769136
0.60013477 0.39329439 0.22880873
0.24570329 0.48287444 0.04053452
0.28292278 0.18398764 0.27881165
0.80098795 0.22738535 0.30052746
0.95161796 0.24265472 0.31335644
0.87853174 0.18473017 0.43726729
0.78909087 0.99117970 0.57931137
0.62194547 0.18073270 0.70816748
0.77935769 0.13131788 0.64516662
0.39069304 0.31806601 0.96434240
0.47423661 0.12641292 0.82560927
0.52300282 0.15067692 0.97942281
0.39142712 0.14632215 0.44922998
0.36876197 0.04899524 0.57313134
0.48975750 0.14761777 0.57794673
0.85807667 0.43730547 0.84665955
0.07263553 0.55313402 0.72034895
0.02992778 0.47049014 0.84392462
0.99607867 0.19724181 0.68509569
0.09003641 0.19835995 0.81739187
0.04771282 0.33370251 0.74607266
0.33591292 0.47711985 0.55876172
0.48102616 0.49478496 0.52206424
0.37606400 0.58002031 0.44460921
0.35422686 0.89341335 0.36575147
0.32218535 0.79540060 0.24027423
0.42248466 0.75545183 0.35772119
0.29526104 0.84861273 0.07420643
0.14950300 0.79674709 0.07726964
0.19158211 0.90208573 0.96915196
0.26227025 0.90992343 0.55575492
0.14436454 0.00222837 0.55259281
0.12790109 0.84760754 0.58614557
No title
1
14.509136 -0.321919 -0.454707
-0.319202 13.814420 0.011392
-0.455966 0.014969 13.558115
C H O N F
110 60 25 10 30
Direct configuration= 51
0.07735829 0.04186249 0.95366123
0.92984882 0.02072890 0.75849081
0.95175491 0.94348142 0.82625708
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No title
1
14.509651 -0.321869 -0.455113
-0.319227 13.812957 0.010478
-0.456431 0.014061 13.556523
C H O N F
110 60 25 10 30
Direct configuration= 52
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0.78877828 0.99126123 0.57942424
0.62192387 0.18078503 0.70825604
0.77919118 0.13146785 0.64522087
0.39068557 0.31823936 0.96445019
0.47430588 0.12630320 0.82560840
0.52301672 0.15059426 0.97947981
0.39125003 0.14615544 0.44908215
0.36898804 0.04888460 0.57314858
0.48979932 0.14778797 0.57764502
0.85795837 0.43756523 0.84654727
0.07269638 0.55313694 0.72029007
0.02988567 0.47046071 0.84382878
0.99648298 0.19687793 0.68522689
0.09043326 0.19875123 0.81759485
0.04773274 0.33373077 0.74568000
0.33595121 0.47718082 0.55858695
0.48112878 0.49458471 0.52210731
0.37640263 0.58001558 0.44448451
0.35418824 0.89343868 0.36571058
0.32212520 0.79544213 0.24015070
0.42244813 0.75546285 0.35759418
0.29560996 0.84880547 0.07397797
0.14992207 0.79683577 0.07757661
0.19155933 0.90206020 0.96916610
0.26217840 0.90993922 0.55570573
0.14417972 0.00211479 0.55272251
0.12794715 0.84746190 0.58638619
No title
1
14.510093 -0.321816 -0.455608
-0.319235 13.811688 0.009834
-0.456968 0.013417 13.555041
C H O N F
110 60 25 10 30
Direct configuration= 53
0.07727757 0.04170802 0.95364212
0.92979060 0.02063113 0.75841227
0.95172996 0.94332189 0.82621187
0.02344560 0.95621017 0.92300511
0.06712742 0.06210789 0.05482437
0.97492102 0.92468263 0.01384727
0.95504236 -0.00303609 0.66126633
0.99218609 0.86721042 0.76107602
0.96421682 0.98813532 0.17883621
0.94547370 0.07685575 0.21934092
0.88674210 0.08202582 0.29599947
0.93138076 0.90131791 0.21955591
0.86955499 0.90529847 0.29239033
0.84355328 0.99435659 0.32674503
0.71154939 0.05283324 0.39635838
0.70808534 0.10669440 0.48505457
0.64862778 0.18436899 0.49095573
0.65045623 0.07038837 0.31676366
0.58700911 0.14223371 0.32614961
0.58863748 0.20132025 0.41062290
0.87896595 0.18274002 0.33707601
0.75921641 0.07808605 0.56849137
0.84595279 0.47258129 0.09329664
0.85524613 0.57586715 0.13499507
0.92086305 0.60094880 0.05234694
0.89721177 0.50141018 0.00618733
0.77033884 0.40462927 0.06758694
0.81751228 0.49825879 0.92527446
0.91402470 0.58085928 0.23093224
0.01459540 0.59607240 0.10404174
0.67756142 0.39205729 0.90486308
0.59323519 0.34422867 0.94480173
0.54262503 0.27922147 0.86697477
0.67095222 0.42020886 0.80283692
0.60438455 0.38209903 0.73664228
0.53481614 0.31419046 0.76563455
0.38211733 0.26516483 0.68403562
0.34541863 0.21252869 0.60123883
0.25156945 0.21647355 0.57344580
0.32325264 0.30715701 0.74614921
0.23084518 0.31225256 0.71571515
0.19471110 0.27101946 0.62721126
0.51409874 0.18887742 0.88993221
0.39962772 0.14083067 0.55081158
0.75219949 0.83907694 0.72898856
0.66515307 0.85089891 0.79181989
0.60750579 0.85255101 0.69239111
0.68886552 0.82564630 0.63460555
0.80294719 0.74746856 0.73924271
0.69347303 0.72256369 0.60493921
0.65842558 0.95282188 0.83386894
0.59707137 0.95884538 0.67345663
0.80682184 0.59641574 0.63955553
0.89604590 0.57959334 0.67519634
0.92260740 0.48363929 0.69532633
0.75399310 0.52069850 0.59187870
0.78255729 0.42679966 0.60436965
0.85691388 0.40447402 0.66964803
0.85435411 0.26704592 0.78827203
0.93730604 0.24158029 0.83563430
0.93819883 0.20151142 0.93051614
0.77155350 0.23566513 0.82578495
0.77248312 0.18670856 0.91618662
0.85523276 0.17427760 0.97147960
0.00772942 0.49453175 0.75330084
0.01747250 0.24213469 0.77323298
0.55314978 0.44340697 0.95878554
0.47640174 0.43393957 0.12514996
0.54593947 0.51741763 0.12914970
0.58432592 0.52933911 0.02358651
0.49868582 0.47990992 0.87876918
0.54191250 0.61666757 0.96799941
0.51004062 0.35509424 0.17817363
0.61804680 0.48282847 0.20330932
0.47034444 0.63190512 0.79176263
0.46121598 0.58071699 0.70237130
0.41948350 0.61797430 0.61686915
0.44616357 0.72839517 0.79224851
0.41013040 0.76878030 0.70461783
0.39324516 0.71399677 0.61851341
0.27546531 0.72752197 0.49153228
0.26157065 0.74960677 0.39132255
0.17469668 0.72898918 0.34404437
0.20647101 0.68112434 0.54314589
0.12059581 0.66001752 0.49517292
0.10399285 0.68572099 0.39652457
0.40272524 0.54469621 0.53414489
0.33982641 0.79776498 0.33927281
0.21217808 0.39680731 0.18684954
0.29886839 0.34362029 0.22546097
0.28957821 0.27649343 0.13497383
0.19823713 0.32694664 0.09874001
0.24432274 0.49244744 0.14479747
0.20963927 0.38964929 0.00940188
0.28805768 0.27886042 0.31297418
0.28661475 0.17467656 0.17665804
0.25576439 0.56253188 0.97519498
0.24960135 0.65561093 0.01162811
0.23794215 0.73671438 0.95135374
0.26125500 0.55162620 0.87322794
0.25503605 0.63259070 0.81334681
0.24117598 0.72584417 0.84803995
0.25306588 0.88930370 0.77897815
0.21147180 0.95348780 0.70943240
0.21402697 0.05144341 0.73423962
0.31517204 0.92690627 0.85291116
0.31885719 0.02536784 0.87451716
0.26321230 0.08700043 0.81896392
0.21966961 0.82146296 0.01565057
0.18543687 0.92869148 0.60322716
0.12837782 0.08052132 0.91232108
0.89485532 0.08498023 0.77652932
0.89260242 0.91110724 0.86421424
0.06669782 0.89674873 0.90276315
0.97776004 0.14264940 0.19095582
0.95080904 0.83265524 0.19025048
0.83784142 0.83956765 0.32237705
0.64361322 0.21710395 0.56359779
0.65185297 0.02861064 0.24888199
0.53542600 0.15480636 0.26627110
0.53681617 0.25534093 0.41566198
0.00926211 0.86733048 0.61013325
0.73997384 0.51075506 0.27271701
0.79172199 0.61539412 0.13723442
0.91037748 0.66456102 0.00489020
0.95423853 0.45837079 0.98484539
0.60846946 0.30509209 0.01363477
0.72294836 0.47127858 0.77754633
0.60159174 0.40407018 0.65947889
0.22321835 0.17506446 0.50973574
0.34865291 0.33771724 0.81633089
0.18838817 0.34733760 0.76609583
0.12202509 0.27504767 0.60365229
0.06073477 0.58844582 0.25520379
0.80116081 0.90182624 0.73391294
0.65351138 0.79453846 0.84715875
0.54306073 0.81032352 0.67921678
0.69910956 0.86921534 0.56853172
0.94048913 0.63991959 0.70396881
0.68879774 0.53608132 0.55210130
0.73914987 0.36628903 0.57415433
1.00405650 0.18928008 0.96970941
0.70665919 0.23948863 0.78083538
0.70800933 0.15616801 0.94276525
0.85462051 0.13902254 0.04351290
0.62296141 0.09145155 0.74816536
0.43830817 0.36083936 0.99739678
0.40596531 0.44015596 0.09578395
0.52171191 0.58769548 0.15268317
0.65929385 0.54713561 0.02606723
0.48241724 0.50735849 0.69847321
0.45702810 0.77072858 0.85987581
0.39389039 0.84489835 0.70154274
0.16340845 0.74711172 0.26609647
0.21683597 0.67086037 0.62228248
0.06485403 0.62759284 0.53625205
0.03429270 0.67405108 0.36316528
0.64703004 0.34822361 0.26110070
0.15741958 0.40510829 0.23779927
0.36075418 0.39120464 0.23931939
0.34281983 0.27966847 0.08243058
0.13684400 0.27843498 0.08881873
0.24814083 0.66533985 0.09064130
0.26978927 0.48176337 0.83977162
0.26150579 0.62366289 0.73468745
0.17739686 0.10033040 0.68452899
0.35328147 0.87761954 0.90121587
0.36100122 0.05173430 0.93892600
0.26042880 0.16296918 0.83833853
0.28739223 0.12551902 0.32467767
0.09788061 0.13129822 0.10682848
0.91441324 0.86038170 0.01862739
0.95693612 0.04311889 0.58300700
0.03585079 0.79711400 0.78895918
0.77795318 0.98626732 0.39589636
0.72704509 0.34452295 0.11654077
0.78076046 0.57353356 0.89455298
0.88674760 0.56917332 0.31436546
0.08709729 0.58512591 0.06588201
0.47703647 0.28429717 0.69132752
0.86015231 0.72614400 0.80379600
0.64061010 0.67736272 0.54629804
0.68210665 0.97964926 0.91825459
0.57909038 0.99206366 0.59090870
0.85802558 0.30844061 0.69328412
0.45327732 0.43227576 0.81318600
0.54301743 0.69985981 0.99823438
0.48486689 0.26954562 0.19138483
0.68919992 0.53986512 0.23218202
0.35867489 0.75988662 0.53579022
0.27156638 0.56336108 0.19368294
0.19049262 0.36633719 0.92365912
0.28606234 0.30642324 0.39859571
0.29357055 0.09833418 0.13315336
0.22977233 0.79196031 0.77167634
0.00879411 0.98538112 0.09100130
0.97565173 0.89668490 0.66540135
0.75191352 0.41866888 0.96313634
0.00485366 0.59406864 0.20608775
0.77253085 0.68745984 0.65561389
0.62208929 0.01064594 0.75820031
0.50209498 0.58226628 0.87776496
0.59995182 0.39357408 0.22911520
0.24556030 0.48279817 0.04062960
0.28260499 0.18384989 0.27890237
0.80093120 0.22739441 0.30078549
0.95154581 0.24272145 0.31335428
0.87869915 0.18477066 0.43744076
0.78862055 0.99130393 0.57948260
0.62191333 0.18080999 0.70830185
0.77910553 0.13153584 0.64523206
0.39067853 0.31832496 0.96450201
0.47434151 0.12625303 0.82561146
0.52302462 0.15055631 0.97950589
0.39115895 0.14606991 0.44900867
0.36910381 0.04882859 0.57315968
0.48981773 0.14787417 0.57749398
0.85789714 0.43769996 0.84649202
0.07272818 0.55314108 0.72026186
0.02986921 0.47043983 0.84379619
0.99669107 0.19669137 0.68529370
0.09063123 0.19895132 0.81769687
0.04774373 0.33374326 0.74548158
0.33596941 0.47721143 0.55849872
0.48117993 0.49448308 0.52213021
0.37657458 0.58001287 0.44442300
0.35416824 0.89345100 0.36568947
0.32209368 0.79546373 0.24008842
0.42242891 0.75546891 0.35752878
0.29578516 0.84890337 0.07386070
0.15013610 0.79688164 0.07773515
0.19154739 0.90204476 0.96917358
0.26213199 0.90994921 0.55568058
0.14408393 0.00205758 0.55278842
0.12797216 0.84738909 0.58650895
No title
1
14.510244 -0.321776 -0.455708
-0.319220 13.811246 0.009524
-0.457094 0.013110 13.554372
C H O N F
110 60 25 10 30
Direct configuration= 54
0.07725926 0.04168298 0.95365622
0.92978695 0.02059275 0.75841157
0.95172491 0.94329592 0.82619946
0.02343670 0.95618190 0.92300255
0.06711539 0.06206212 0.05480705
0.97486730 0.92459204 0.01386180
0.95501596 -0.00304993 0.66119018
0.99215230 0.86722699 0.76102793
0.96420721 0.98811413 0.17885432
0.94546868 0.07683670 0.21935500
0.88674098 0.08202558 0.29600754
0.93136730 0.90130314 0.21957831
0.86954634 0.90529260 0.29240423
0.84354389 0.99435338 0.32675893
0.71153256 0.05284878 0.39634854
0.70808685 0.10671023 0.48506977
0.64861676 0.18441153 0.49092666
0.65045536 0.07038668 0.31675498
0.58700195 0.14224051 0.32611606
0.58863793 0.20134363 0.41058469
0.87896681 0.18274251 0.33709311
0.75916880 0.07811670 0.56846254
0.84594238 0.47258322 0.09330793
0.85523990 0.57587232 0.13502362
0.92085651 0.60096220 0.05237797
0.89720540 0.50142131 0.00620106
0.77036699 0.40468894 0.06756656
0.81748843 0.49828797 0.92527740
0.91402131 0.58084101 0.23097162
0.01461097 0.59608040 0.10406960
0.67754365 0.39205723 0.90487392
0.59322776 0.34423206 0.94482063
0.54260845 0.27920634 0.86699337
0.67093693 0.42020908 0.80283204
0.60437192 0.38208759 0.73666224
0.53480762 0.31418178 0.76563171
0.38210652 0.26515447 0.68402958
0.34541194 0.21251101 0.60122405
0.25156745 0.21646279 0.57342019
0.32324681 0.30716046 0.74612433
0.23084565 0.31228222 0.71568181
0.19471433 0.27103405 0.62716869
0.51410144 0.18887783 0.88993934
0.39962828 0.14082037 0.55078941
0.75218817 0.83907120 0.72896197
0.66514523 0.85088448 0.79180030
0.60749711 0.85253635 0.69236747
0.68885117 0.82563204 0.63457592
0.80294926 0.74745278 0.73922045
0.69350757 0.72259094 0.60492227
0.65842741 0.95282582 0.83386572
0.59705907 0.95880551 0.67349141
0.80682227 0.59640609 0.63951599
0.89605605 0.57959848 0.67515311
0.92261298 0.48364040 0.69528852
0.75399085 0.52067728 0.59186045
0.78256394 0.42677550 0.60435805
0.85693384 0.40446565 0.66962067
0.85440448 0.26705279 0.78824985
0.93735332 0.24158906 0.83563753
0.93824440 0.20153739 0.93050587
0.77160868 0.23567874 0.82576859
0.77252354 0.18674044 0.91616883
0.85528028 0.17430974 0.97147948
0.00774351 0.49453034 0.75329726
0.01752710 0.24214012 0.77322520
0.55315159 0.44342195 0.95879739
0.47638954 0.43397119 0.12517220
0.54593259 0.51745028 0.12917262
0.58433367 0.52935478 0.02360995
0.49869468 0.47992886 0.87878727
0.54194253 0.61668007 0.96800512
0.51001313 0.35511380 0.17820475
0.61804263 0.48288696 0.20333939
0.47036839 0.63192330 0.79176740
0.46126055 0.58072680 0.70236550
0.41951623 0.61797153 0.61686217
0.44616125 0.72840410 0.79224949
0.41012292 0.76878279 0.70460963
0.39325410 0.71398665 0.61850624
0.27547050 0.72750360 0.49151456
0.26156604 0.74960313 0.39130611
0.17468556 0.72900485 0.34402980
0.20648230 0.68109382 0.54312025
0.12059684 0.66000502 0.49516015
0.10398855 0.68574176 0.39651211
0.40275522 0.54468681 0.53413208
0.33982016 0.79776816 0.33925332
0.21216191 0.39680828 0.18687917
0.29886120 0.34361684 0.22547126
0.28956043 0.27648285 0.13498088
0.19821821 0.32694122 0.09875470
0.24431723 0.49242265 0.14479432
0.20962273 0.38965046 0.00946921
0.28801446 0.27890408 0.31318894
0.28660449 0.17458858 0.17661622
0.25575555 0.56252050 0.97520296
0.24960037 0.65560242 0.01163629
0.23795346 0.73671027 0.95135408
0.26125327 0.55160610 0.87323886
0.25504516 0.63257896 0.81334401
0.24119093 0.72583149 0.84804821
0.25308604 0.88930580 0.77899689
0.21148763 0.95348092 0.70944692
0.21404722 0.05146322 0.73426115
0.31518171 0.92690260 0.85292923
0.31887149 0.02537551 0.87455386
0.26322714 0.08700296 0.81898460
0.21970475 0.82147214 0.01565815
0.18542906 0.92868266 0.60324365
0.12835483 0.08050575 0.91231455
0.89485467 0.08497012 0.77652510
0.89259533 0.91107599 0.86419907
0.06668714 0.89671204 0.90276250
0.97776397 0.14263800 0.19096732
0.95079693 0.83262810 0.19027396
0.83782374 0.83956121 0.32239793
0.64360821 0.21716102 0.56356316
0.65185036 0.02859561 0.24886868
0.53542330 0.15479881 0.26623770
0.53681505 0.25537434 0.41560957
0.00923573 0.86729123 0.61008858
0.73996394 0.51078266 0.27276362
0.79172091 0.61540057 0.13727127
0.91037234 0.66458279 0.00492899
0.95422905 0.45838498 0.98484832
0.60845788 0.30509789 0.01365253
0.72293080 0.47127438 0.77755214
0.60157350 0.40406018 0.65947410
0.22321461 0.17505314 0.50970747
0.34864897 0.33773192 0.81631772
0.18839150 0.34739126 0.76604173
0.12203414 0.27508192 0.60359281
0.06073172 0.58842105 0.25524797
0.80114704 0.90182133 0.73389411
0.65351103 0.79452840 0.84714363
0.54305280 0.81029272 0.67919540
0.69908707 0.86921842 0.56850349
0.94049639 0.63992857 0.70391005
0.68878907 0.53604950 0.55208726
0.73915593 0.36625643 0.57414853
1.00410172 0.18930482 0.96971744
0.70670523 0.23950284 0.78080802
0.70805544 0.15620774 0.94275498
0.85466104 0.13906666 0.04351721
0.62295175 0.09144292 0.74815804
0.43830090 0.36086699 0.99744135
0.40595026 0.44019592 0.09581229
0.52171036 0.58772989 0.15269992
0.65930217 0.54714084 0.02610717
0.48249028 0.50737727 0.69847122
0.45701069 0.77074481 0.85987947
0.39387197 0.84489736 0.70153130
0.16339081 0.74714030 0.26608372
0.21685929 0.67080075 0.62226140
0.06486260 0.62757805 0.53623392
0.03427764 0.67409467 0.36316088
0.64699301 0.34825906 0.26114675
0.15742617 0.40511814 0.23782504
0.36074112 0.39118312 0.23935451
0.34279615 0.27966085 0.08243560
0.13682151 0.27842747 0.08884984
0.24813680 0.66533927 0.09065268
0.26978552 0.48174014 0.83977949
0.26152098 0.62363910 0.73468844
0.17742025 0.10033877 0.68454644
0.35329413 0.87761918 0.90124246
0.36100369 0.05173552 0.93896600
0.26044900 0.16298142 0.83836936
0.28734287 0.12550044 0.32468984
0.09788743 0.13128897 0.10685869
0.91446590 0.86037944 0.01863225
0.95688092 0.04306147 0.58302291
0.03588146 0.79705265 0.78895205
0.77794588 0.98627308 0.39590847
0.72699467 0.34450989 0.11659698
0.78073986 0.57354622 0.89459478
0.88674083 0.56914226 0.31439830
0.08707837 0.58516527 0.06592379
0.47702990 0.28428202 0.69133349
0.86013457 0.72613603 0.80375747
0.64060424 0.67733468 0.54618499
0.68211304 0.97964757 0.91821837
0.57903678 0.99206713 0.59084103
0.85808847 0.30843376 0.69325355
0.45327076 0.43229211 0.81319169
0.54307099 0.69990322 0.99823967
0.48484607 0.26959027 0.19141956
0.68917959 0.53988947 0.23221740
0.35867761 0.75987088 0.53577221
0.27159440 0.56337618 0.19371207
0.19044519 0.36631202 0.92362241
0.28600712 0.30636319 0.39844069
0.29356569 0.09837842 0.13319782
0.22979398 0.79195649 0.77167630
0.00878959 0.98535482 0.09100860
0.97561489 0.89665966 0.66541201
0.75191295 0.41867083 0.96314974
0.00483794 0.59404723 0.20611914
0.77252984 0.68745197 0.65557093
0.62207713 0.01063450 0.75817749
0.50211596 0.58228834 0.87777123
0.59993938 0.39357283 0.22916677
0.24554381 0.48279207 0.04064031
0.28256666 0.18383534 0.27890486
0.80092391 0.22739599 0.30081604
0.95153703 0.24272892 0.31335391
0.87871903 0.18477564 0.43746035
0.78856708 0.99130829 0.57950710
0.62190991 0.18081930 0.70831732
0.77908053 0.13157379 0.64525745
0.39067352 0.31835390 0.96452019
0.47435253 0.12623204 0.82561090
0.52302758 0.15054161 0.97951701
0.39112622 0.14603780 0.44898234
0.36914610 0.04880765 0.57316402
0.48982568 0.14790429 0.57743940
0.85787473 0.43774959 0.84647346
0.07274015 0.55314409 0.72025065
0.02985829 0.47043733 0.84376363
0.99676700 0.19662532 0.68532110
0.09070279 0.19902394 0.81773461
0.04774733 0.33374694 0.74541025
0.33597744 0.47722398 0.55846679
0.48119923 0.49444643 0.52213857
0.37663716 0.58001225 0.44440099
0.35416094 0.89345563 0.36568171
0.32208199 0.79547160 0.24006693
0.42242173 0.75547119 0.35750482
0.29584918 0.84893926 0.07381852
0.15021411 0.79689863 0.07779290
0.19154282 0.90203998 0.96917567
0.26211559 0.90995255 0.55567214
0.14405029 0.00203510 0.55281332
0.12798284 0.84736310 0.58655433
No title
1
14.510977 -0.321656 -0.456433
-0.319203 13.809218 0.008373
-0.457896 0.011961 13.551971
C H O N F
110 60 25 10 30
Direct configuration= 55
0.07718094 0.04154794 0.95367004
0.92975522 0.02044857 0.75839254
0.95170070 0.94318079 0.82613393
0.02338671 0.95604208 0.92300536
0.06707127 0.06192212 0.05484452
0.97484471 0.92441746 0.01389063
0.95487872 -0.00317796 0.66103409
0.99211770 0.86710649 0.76093437
0.96417384 0.98801322 0.17892275
0.94545455 0.07677397 0.21941354
0.88672398 0.08201363 0.29605681
0.93131956 0.90122917 0.21966441
0.86949034 0.90525166 0.29248512
0.84350498 0.99435164 0.32681892
0.71148052 0.05290562 0.39633237
0.70803296 0.10682066 0.48505172
0.64858772 0.18459352 0.49080800
0.65043345 0.07038321 0.31668934
0.58698167 0.14226355 0.32596934
0.58862501 0.20146198 0.41040051
0.87896952 0.18275625 0.33716486
0.75900755 0.07823567 0.56845961
0.84591471 0.47260356 0.09336945
0.85521733 0.57588837 0.13515861
0.92083293 0.60102182 0.05251930
0.89716291 0.50148193 0.00625363
0.77036359 0.40479274 0.06759818
0.81742468 0.49838144 0.92532628
0.91400052 0.58075954 0.23112685
0.01457633 0.59612989 0.10423278
0.67748115 0.39206183 0.90493356
0.59318385 0.34424707 0.94489763
0.54254439 0.27917823 0.86706244
0.67088140 0.42021150 0.80284467
0.60430280 0.38204078 0.73670077
0.53476364 0.31412953 0.76564689
0.38206443 0.26510654 0.68400078
0.34538204 0.21242626 0.60115020
0.25155867 0.21642007 0.57331100
0.32321750 0.30718312 0.74602171
0.23085036 0.31241455 0.71552119
0.19472957 0.27109990 0.62697097
0.51410054 0.18883923 0.88998045
0.39963659 0.14076625 0.55069053
0.75214016 0.83903845 0.72884549
0.66511471 0.85082257 0.79171470
0.60744796 0.85245220 0.69226775
0.68879490 0.82559048 0.63443930
0.80292014 0.74741023 0.73908231
0.69352236 0.72255835 0.60467165
0.65842210 0.95280739 0.83379453
0.59694411 0.95873228 0.67339757
0.80683254 0.59635703 0.63933171
0.89608866 0.57961340 0.67494864
0.92266383 0.48365554 0.69513358
0.75397778 0.52057035 0.59177420
0.78259108 0.42667065 0.60430308
0.85702583 0.40443096 0.66949212
0.85465506 0.26708190 0.78815617
0.93756641 0.24164756 0.83560473
0.93846787 0.20164095 0.93049621
0.77183598 0.23575069 0.82566442
0.77274136 0.18687706 0.91611844
0.85547483 0.17446349 0.97145803
0.00777818 0.49453122 0.75321762
0.01777489 0.24216537 0.77320953
0.55316482 0.44348600 0.95886166
0.47633979 0.43411606 0.12527421
0.54590119 0.51759267 0.12927696
0.58436782 0.52942772 0.02371364
0.49871840 0.48000286 0.87884322
0.54208265 0.61679422 0.96805155
0.50991408 0.35524515 0.17835032
0.61798246 0.48302759 0.20350082
0.47047751 0.63200348 0.79178127
0.46146820 0.58077285 0.70234610
0.41966603 0.61795598 0.61682707
0.44614956 0.72845120 0.79225386
0.41009141 0.76879093 0.70457628
0.39329171 0.71394515 0.61846583
0.27549394 0.72741848 0.49143401
0.26154504 0.74958955 0.39122116
0.17464132 0.72907937 0.34396562
0.20652985 0.68094947 0.54301039
0.12061208 0.65995357 0.49509421
0.10395557 0.68583300 0.39645621
0.40290076 0.54464965 0.53407375
0.33978928 0.79778215 0.33916785
0.21211700 0.39681149 0.18699334
0.29880588 0.34357134 0.22556504
0.28947750 0.27642371 0.13503156
0.19812675 0.32691078 0.09883932
0.24432308 0.49240806 0.14486687
0.20949555 0.38959996 0.00953010
0.28784000 0.27882070 0.31319684
0.28652559 0.17457819 0.17668595
0.25571563 0.56247280 0.97524428
0.24959496 0.65556731 0.01166842
0.23800565 0.73668766 0.95137868
0.26124522 0.55152330 0.87326707
0.25508800 0.63251033 0.81335204
0.24125864 0.72578006 0.84806101
0.25316185 0.88930345 0.77906233
0.21156198 0.95348287 0.70952561
0.21413278 0.05150917 0.73433732
0.31524542 0.92690950 0.85303837
0.31892273 0.02538732 0.87469899
0.26331043 0.08703903 0.81910785
0.21986879 0.82151647 0.01568877
0.18540141 0.92863729 0.60332541
0.12824584 0.08043399 0.91228554
0.89485437 0.08491258 0.77650562
0.89256344 0.91093443 0.86412908
0.06663718 0.89654361 0.90275035
0.97777847 0.14257391 0.19102376
0.95073930 0.83250787 0.19038623
0.83774583 0.83953830 0.32249064
0.64358262 0.21742639 0.56340362
0.65183956 0.02852881 0.24881335
0.53540444 0.15476533 0.26607637
0.53681557 0.25552334 0.41536771
0.00908042 0.86713022 0.60994216
0.73990917 0.51091397 0.27297070
0.79171394 0.61543139 0.13744091
0.91034881 0.66468151 0.00510868
0.95418520 0.45844918 0.98486333
0.60840885 0.30512433 0.01374244
0.72285142 0.47125762 0.77757465
0.60149061 0.40400812 0.65947212
0.22319594 0.17499608 0.50957246
0.34862908 0.33779778 0.81625246
0.18840474 0.34764163 0.76579689
0.12207657 0.27523991 0.60331911
0.06069903 0.58830827 0.25543776
0.80108376 0.90180003 0.73380616
0.65350860 0.79447952 0.84707498
0.54302147 0.81015548 0.67909686
0.69898142 0.86922970 0.56837697
0.94053450 0.63997357 0.70364190
0.68874987 0.53590507 0.55202382
0.73918456 0.36610652 0.57412212
1.00430325 0.18942202 0.96974911
0.70693013 0.23956728 0.78069007
0.70826263 0.15638998 0.94270791
0.85484969 0.13926869 0.04354191
0.62290530 0.09140711 0.74811721
0.43826162 0.36098986 0.99764457
0.40588119 0.44038098 0.09594539
0.52170022 0.58789415 0.15277695
0.65934057 0.54716474 0.02629122
0.48282742 0.50746395 0.69846205
0.45693047 0.77081905 0.85989627
0.39378671 0.84489448 0.70147803
0.16330908 0.74727323 0.26602292
0.21696649 0.67052659 0.62215958
0.06489721 0.62750693 0.53615397
0.03421370 0.67429726 0.36314250
0.64685846 0.34838896 0.26137902
0.15744058 0.40516712 0.23795585
0.36068953 0.39109313 0.23951258
0.34268891 0.27962972 0.08245666
0.13671969 0.27839396 0.08898960
0.24811867 0.66533531 0.09070835
0.26976766 0.48163274 0.83981783
0.26159148 0.62352999 0.73468668
0.17752555 0.10038272 0.68462499
0.35335032 0.87761830 0.90136193
0.36102199 0.05174600 0.93916025
0.26054176 0.16302858 0.83850918
0.28711414 0.12541304 0.32473288
0.09788890 0.13117539 0.10693787
0.91450642 0.86015563 0.01867372
0.95663665 0.04287780 0.58294526
0.03591441 0.79694098 0.78884478
0.77790184 0.98630686 0.39596258
0.72687136 0.34460200 0.11673425
0.78061451 0.57365708 0.89476139
0.88670522 0.56899687 0.31456755
0.08707825 0.58533408 0.06607342
0.47699314 0.28421117 0.69135166
0.86008989 0.72608251 0.80362385
0.64071287 0.67732738 0.54581919
0.68216026 0.97966289 0.91811370
0.57884060 0.99198796 0.59075124
0.85837855 0.30839703 0.69311653
0.45325235 0.43237798 0.81323383
0.54331715 0.70005546 0.99824669
0.48473391 0.26975418 0.19158215
0.68912147 0.54002440 0.23239628
0.35869386 0.75979611 0.53569484
0.27168999 0.56335928 0.19378353
0.19027462 0.36625391 0.92366911
0.28573332 0.30634230 0.39856445
0.29357324 0.09824787 0.13320331
0.22989737 0.79193549 0.77168662
0.00875989 0.98522355 0.09105913
0.97548594 0.89650433 0.66531868
0.75189338 0.41867497 0.96318947
0.00480275 0.59394628 0.20629436
0.77252397 0.68742521 0.65537501
0.62202343 0.01058388 0.75808694
0.50221535 0.58238627 0.87780646
0.59984816 0.39370597 0.22934790
0.24546372 0.48275036 0.04069405
0.28238806 0.18376104 0.27895910
0.80089240 0.22740181 0.30095778
0.95149746 0.24276402 0.31335281
0.87881056 0.18479815 0.43755467
0.78831182 0.99135809 0.57961049
0.62189373 0.18086108 0.70839237
0.77895292 0.13171957 0.64532378
0.39065698 0.31849247 0.96460521
0.47440604 0.12614250 0.82561298
0.52304157 0.15047711 0.97956542
0.39097431 0.14589334 0.44886086
0.36934077 0.04871435 0.57318448
0.48985796 0.14804467 0.57718766
0.85777247 0.43797531 0.84638000
0.07279817 0.55316162 0.72019966
0.02982005 0.47041314 0.84366192
0.99711547 0.19631862 0.68544071
0.09103380 0.19935599 0.81790675
0.04776474 0.33376396 0.74508031
0.33601111 0.47727779 0.55831984
0.48128786 0.49427658 0.52217683
0.37692426 0.58000871 0.44429849
0.35412718 0.89347724 0.36564554
0.32202701 0.79550793 0.23996397
0.42238890 0.75548168 0.35739347
0.29614453 0.84910463 0.07362483
0.15057312 0.79697685 0.07805926
0.19152215 0.90201609 0.96918701
0.26203898 0.90996858 0.55563191
0.14389240 0.00193506 0.55292632
0.12802721 0.84724137 0.58676091
No title
1
14.511185 -0.321599 -0.456554
-0.319181 13.808583 0.007958
-0.458047 0.011549 13.551254
C H O N F
110 60 25 10 30
Direct configuration= 56
0.07716906 0.04152729 0.95367472
0.92973800 0.02043969 0.75836690
0.95169465 0.94313655 0.82613144
0.02337432 0.95599498 0.92300437
0.06706777 0.06190048 0.05485910
0.97485505 0.92438975 0.01389643
0.95483667 -0.00324073 0.66106879
0.99211800 0.86706038 0.76092277
0.96416703 0.98798837 0.17893697
0.94545450 0.07676425 0.21942523
0.88671642 0.08200858 0.29607398
0.93130871 0.90120169 0.21968443
0.86947335 0.90524193 0.29250911
0.84349533 0.99435132 0.32683423
0.71147458 0.05291408 0.39633335
0.70799808 0.10686474 0.48502121
0.64858419 0.18463432 0.49077172
0.65042324 0.07038300 0.31666575
0.58698119 0.14226778 0.32593537
0.58862086 0.20149451 0.41035362
0.87896941 0.18276100 0.33718118
0.75899015 0.07825865 0.56850895
0.84591548 0.47262009 0.09338405
0.85521393 0.57589159 0.13519608
0.92082517 0.60103750 0.05255556
0.89715620 0.50149970 0.00626806
0.77031383 0.40475864 0.06764459
0.81741218 0.49839831 0.92534294
0.91398717 0.58073604 0.23117593
0.01457662 0.59614094 0.10426945
0.67747366 0.39206899 0.90494665
0.59316753 0.34424946 0.94491424
0.54253192 0.27918685 0.86707283
0.67086159 0.42020230 0.80286533
0.60428727 0.38203635 0.73669028
0.53475063 0.31410927 0.76566610
0.38205769 0.26508730 0.68398238
0.34538027 0.21240591 0.60113614
0.25155416 0.21640607 0.57327842
0.32321080 0.30719796 0.74601152
0.23084949 0.31244369 0.71546643
0.19473404 0.27112215 0.62692716
0.51409518 0.18881413 0.88999304
0.39963759 0.14075208 0.55066559
0.75212744 0.83902356 0.72881602
0.66510867 0.85081195 0.79169047
0.60743037 0.85242614 0.69224171
0.68878187 0.82558128 0.63439972
0.80288731 0.74741173 0.73902005
0.69353080 0.72255593 0.60461298
0.65841343 0.95279037 0.83374973
0.59691386 0.95871513 0.67336882
0.80683455 0.59635001 0.63928536
0.89609737 0.57961160 0.67489457
0.92268122 0.48365966 0.69509483
0.75397420 0.52054017 0.59175119
0.78259274 0.42664081 0.60428353
0.85705355 0.40442304 0.66946168
0.85471492 0.26708998 0.78813131
0.93763322 0.24166558 0.83558576
0.93852158 0.20166496 0.93050240
0.77189293 0.23577187 0.82563144
0.77280118 0.18691248 0.91610664
0.85552901 0.17450341 0.97145364
0.00778250 0.49454355 0.75317354
0.01783455 0.24217274 0.77321237
0.55317200 0.44350061 0.95888394
0.47632248 0.43415513 0.12529797
0.54589478 0.51762440 0.12930323
0.58437527 0.52944814 0.02374065
0.49871860 0.48002280 0.87884816
0.54211989 0.61682791 0.96806428
0.50989656 0.35529847 0.17838771
0.61796371 0.48305397 0.20354530
0.47050584 0.63202077 0.79177888
0.46152405 0.58078846 0.70234689
0.41970543 0.61795032 0.61681617
0.44614554 0.72846693 0.79225347
0.41008474 0.76878922 0.70456933
0.39330032 0.71393770 0.61845400
0.27549883 0.72739644 0.49140925
0.26154346 0.74958784 0.39119872
0.17462987 0.72909982 0.34394795
0.20654382 0.68090963 0.54299125
0.12061787 0.65994372 0.49506654
0.10394290 0.68585408 0.39644708
0.40294038 0.54464038 0.53405848
0.33977902 0.79778494 0.33914717
0.21211754 0.39680961 0.18701058
0.29878195 0.34355434 0.22558594
0.28945729 0.27641669 0.13504563
0.19809985 0.32690080 0.09886941
0.24432934 0.49242094 0.14490001
0.20945783 0.38958325 0.00951525
0.28779363 0.27882171 0.31326112
0.28651075 0.17448559 0.17665729
0.25570543 0.56245732 0.97525332
0.24959319 0.65556282 0.01168246
0.23801952 0.73668110 0.95139050
0.26124299 0.55150498 0.87327061
0.25510019 0.63248553 0.81335708
0.24127608 0.72577231 0.84805880
0.25318084 0.88930124 0.77907873
0.21158054 0.95349652 0.70954639
0.21415860 0.05150522 0.73435894
0.31526498 0.92691287 0.85307058
0.31893446 0.02538810 0.87473406
0.26333291 0.08705185 0.81914164
0.21991286 0.82152807 0.01569677
0.18539743 0.92862261 0.60335071
0.12820805 0.08040810 0.91228484
0.89485987 0.08488442 0.77649921
0.89255812 0.91089838 0.86410877
0.06662062 0.89650240 0.90274757
0.97778049 0.14255258 0.19104008
0.95072288 0.83248010 0.19041721
0.83772568 0.83953240 0.32251476
0.64357486 0.21749823 0.56336450
0.65183716 0.02851236 0.24880180
0.53539711 0.15475700 0.26603045
0.53681649 0.25556161 0.41530340
0.00903194 0.86709166 0.60991628
0.73989121 0.51095064 0.27302228
0.79171074 0.61543918 0.13748593
0.91034262 0.66470675 0.00515700
0.95417243 0.45846654 0.98486727
0.60839753 0.30513133 0.01376897
0.72283618 0.47125908 0.77757671
0.60146918 0.40399104 0.65948093
0.22319203 0.17498139 0.50953931
0.34862175 0.33781239 0.81622791
0.18840695 0.34770962 0.76573475
0.12208821 0.27528118 0.60324670
0.06068677 0.58827881 0.25548506
0.80106806 0.90179581 0.73378225
0.65350759 0.79446425 0.84705818
0.54301617 0.81012146 0.67907114
0.69895358 0.86923118 0.56834544
0.94054602 0.63998726 0.70357158
0.68873946 0.53586654 0.55200768
0.73919409 0.36606908 0.57411661
1.00435683 0.18945347 0.96975712
0.70699237 0.23958392 0.78066092
0.70831624 0.15643757 0.94269568
0.85489957 0.13932324 0.04354642
0.62289265 0.09139590 0.74810604
0.43824827 0.36102014 0.99769672
0.40586553 0.44042990 0.09598195
0.52169636 0.58794035 0.15279763
0.65935117 0.54717080 0.02633928
0.48291694 0.50748569 0.69845971
0.45690935 0.77083831 0.85990047
0.39376397 0.84489498 0.70146370
0.16328770 0.74730911 0.26600717
0.21699426 0.67045474 0.62212749
0.06490380 0.62748638 0.53613508
0.03419853 0.67435153 0.36313821
0.64682826 0.34841953 0.26144298
0.15743697 0.40518108 0.23799692
0.36068010 0.39107310 0.23955516
0.34266034 0.27962049 0.08246166
0.13669399 0.27838567 0.08902548
0.24811417 0.66533308 0.09071976
0.26976281 0.48160519 0.83982833
0.26160995 0.62350238 0.73468667
0.17755070 0.10039816 0.68464241
0.35336499 0.87761867 0.90139246
0.36102784 0.05174920 0.93921273
0.26056640 0.16303962 0.83854606
0.28705349 0.12538776 0.32474528
0.09788070 0.13112817 0.10694559
0.91450230 0.86008132 0.01868511
0.95657516 0.04285995 0.58287214
0.03591286 0.79692540 0.78881017
0.77788610 0.98631984 0.39597665
0.72687363 0.34467442 0.11673266
0.78057643 0.57369561 0.89480191
0.88669853 0.56895959 0.31460419
0.08706820 0.58538020 0.06611883
0.47697880 0.28419188 0.69135250
0.86009907 0.72605910 0.80361235
0.64073706 0.67732110 0.54571745
0.68217959 0.97967466 0.91810836
0.57878916 0.99196521 0.59073140
0.85845568 0.30838545 0.69308207
0.45325061 0.43240324 0.81324922
0.54338194 0.70009180 0.99824674
0.48469782 0.26978035 0.19162800
0.68911179 0.54005992 0.23244734
0.35870022 0.75977517 0.53567683
0.27170996 0.56333987 0.19379186
0.19023510 0.36624525 0.92370677
0.28566212 0.30632023 0.39854392
0.29356858 0.09829136 0.13324904
0.22992504 0.79192679 0.77169295
0.00874929 0.98518581 0.09107332
0.97546245 0.89645294 0.66526246
0.75188348 0.41867563 0.96319456
0.00480142 0.59391860 0.20634380
0.77252529 0.68741181 0.65532231
0.62200875 0.01057467 0.75806399
0.50224304 0.58241035 0.87781942
0.59981850 0.39375495 0.22939052
0.24544172 0.48273655 0.04070986
0.28234043 0.18374579 0.27896545
0.80088526 0.22740220 0.30099584
0.95148734 0.24277285 0.31335300
0.87883452 0.18480354 0.43757985
0.78823937 0.99138511 0.57963445
0.62188935 0.18087242 0.70841256
0.77891337 0.13174507 0.64531726
0.39065472 0.31853148 0.96463016
0.47442147 0.12612301 0.82561671
0.52304550 0.15046143 0.97957769
0.39093429 0.14585458 0.44882926
0.36939310 0.04868934 0.57319061
0.48986675 0.14808208 0.57712104
0.85774558 0.43803584 0.84635443
0.07280767 0.55316010 0.72019055
0.02981447 0.47040146 0.84365036
0.99720807 0.19623587 0.68547052
0.09112159 0.19944353 0.81795143
0.04777009 0.33376860 0.74499152
0.33602020 0.47729224 0.55828108
0.48131107 0.49423187 0.52218738
0.37700067 0.58000767 0.44427159
0.35411822 0.89348288 0.36563538
0.32201209 0.79551800 0.23993597
0.42238041 0.75548470 0.35736315
0.29622216 0.84914896 0.07357285
0.15066869 0.79699775 0.07813013
0.19151670 0.90200879 0.96919055
0.26201836 0.90997337 0.55562089
0.14384933 0.00191018 0.55295542
0.12803799 0.84720880 0.58681504
No title
1
14.511827 -0.321412 -0.457096
-0.319089 13.806846 0.006911
-0.458667 0.010504 13.549010
C H O N F
110 60 25 10 30
Direct configuration= 57
0.07711298 0.04145495 0.95371098
0.92969577 0.02036313 0.75831823
0.95168058 0.94300662 0.82611817
0.02333852 0.95585638 0.92300000
0.06704433 0.06178495 0.05484578
0.97482388 0.92422594 0.01392637
0.95471091 -0.00337353 0.66098379
0.99208342 0.86695714 0.76083673
0.96414131 0.98790871 0.17898778
0.94544447 0.07671425 0.21947299
0.88670083 0.08199877 0.29612040
0.93126418 0.90112118 0.21976125
0.86942686 0.90521290 0.29257767
0.84346067 0.99434561 0.32688787
0.71143510 0.05295338 0.39631443
0.70793811 0.10697437 0.48499449
0.64855651 0.18478278 0.49065023
0.65040428 0.07037792 0.31660681
0.58696799 0.14228655 0.32581393
0.58861305 0.20159766 0.41020340
0.87897020 0.18277299 0.33724070
0.75887639 0.07835477 0.56855294
0.84589553 0.47265696 0.09342564
0.85519860 0.57590875 0.13531700
0.92080396 0.60109139 0.05267748
0.89713691 0.50155468 0.00631980
0.77026626 0.40479225 0.06769593
0.81734316 0.49848035 0.92537838
0.91396541 0.58066294 0.23131605
0.01455285 0.59618021 0.10441001
0.67743011 0.39208503 0.90498602
0.59312394 0.34426041 0.94497621
0.54247970 0.27917601 0.86712407
0.67079672 0.42018236 0.80290080
0.60423594 0.38200793 0.73670257
0.53471531 0.31405803 0.76570050
0.38202953 0.26503501 0.68393965
0.34536471 0.21233624 0.60108307
0.25154502 0.21636220 0.57317675
0.32318519 0.30723274 0.74594936
0.23085298 0.31254989 0.71530850
0.19474547 0.27118796 0.62677015
0.51409049 0.18877163 0.89002961
0.39964239 0.14070454 0.55058014
0.75208235 0.83898944 0.72871320
0.66508398 0.85076644 0.79161127
0.60738085 0.85234688 0.69215391
0.68873551 0.82555027 0.63427392
0.80289075 0.74735891 0.73892800
0.69354352 0.72253310 0.60439907
0.65840906 0.95276996 0.83368675
0.59681725 0.95864668 0.67329416
0.80684673 0.59631109 0.63913215
0.89612531 0.57961458 0.67471766
0.92272848 0.48367035 0.69495946
0.75396144 0.52044718 0.59167644
0.78260815 0.42654437 0.60422714
0.85713942 0.40439469 0.66935761
0.85491188 0.26711666 0.78804707
0.93784203 0.24171526 0.83555447
0.93869958 0.20175563 0.93049764
0.77209277 0.23583463 0.82554137
0.77298490 0.18703451 0.91605173
0.85571184 0.17463178 0.97144802
0.00780583 0.49456754 0.75307053
0.01804055 0.24219544 0.77320807
0.55318913 0.44355257 0.95894758
0.47626892 0.43428689 0.12537505
0.54587264 0.51773667 0.12939063
0.58440237 0.52951456 0.02383119
0.49873567 0.48009655 0.87889092
0.54224177 0.61691702 0.96809996
0.50982007 0.35542343 0.17851605
0.61791686 0.48318695 0.20368328
0.47060025 0.63208484 0.79178296
0.46170523 0.58083439 0.70233784
0.41983549 0.61793533 0.61678501
0.44613381 0.72851215 0.79225209
0.41006100 0.76879103 0.70454611
0.39333080 0.71390544 0.61841532
0.27551506 0.72732260 0.49133373
0.26153376 0.74958002 0.39112670
0.17459015 0.72916576 0.34389173
0.20658991 0.68078289 0.54291241
0.12063238 0.65990522 0.49499152
0.10390918 0.68592921 0.39640868
0.40307058 0.54460973 0.53400786
0.33974793 0.79779592 0.33907554
0.21210102 0.39681163 0.18708512
0.29871692 0.34350425 0.22566229
0.28938575 0.27637247 0.13508932
0.19801855 0.32687376 0.09894968
0.24431834 0.49237385 0.14494920
0.20935928 0.38955384 0.00961673
0.28764313 0.27877059 0.31332328
0.28644234 0.17446650 0.17671160
0.25567112 0.56240408 0.97528649
0.24958847 0.65554219 0.01172513
0.23806498 0.73666195 0.95141647
0.26123610 0.55143747 0.87329364
0.25513905 0.63241717 0.81336198
0.24133458 0.72573916 0.84806833
0.25325114 0.88930151 0.77914210
0.21164293 0.95351066 0.70961068
0.21424241 0.05153089 0.73443705
0.31531894 0.92690903 0.85316177
0.31897972 0.02540695 0.87486123
0.26340205 0.08707829 0.81924181
0.22005701 0.82156631 0.01572469
0.18537662 0.92857861 0.60342798
0.12808789 0.08032623 0.91228037
0.89486749 0.08481593 0.77648218
0.89253414 0.91077473 0.86404487
0.06657024 0.89636237 0.90274262
0.97779096 0.14249174 0.19109010
0.95067102 0.83238210 0.19051473
0.83765780 0.83951000 0.32259573
0.64355062 0.21773132 0.56323279
0.65182835 0.02845532 0.24875829
0.53537869 0.15472909 0.26588613
0.53681664 0.25568949 0.41509236
0.00889890 0.86694869 0.60978622
0.73983798 0.51106800 0.27319700
0.79170111 0.61546440 0.13763425
0.91032169 0.66479053 0.00531542
0.95413280 0.45852216 0.98487720
0.60835694 0.30515436 0.01385020
0.72277948 0.47125638 0.77758932
0.60139881 0.40394078 0.65948953
0.22317842 0.17493131 0.50942903
0.34860141 0.33786617 0.81615982
0.18841624 0.34793004 0.76552634
0.12212719 0.27541650 0.60301045
0.06065680 0.58818063 0.25564912
0.80101578 0.90177855 0.73370430
0.65350565 0.79441869 0.84700005
0.54299404 0.81000622 0.67898575
0.69886291 0.86923767 0.56823882
0.94058121 0.64003005 0.70334002
0.68870529 0.53573983 0.55195504
0.73922273 0.36594241 0.57409658
1.00453457 0.18955550 0.96978591
0.70718910 0.23963953 0.78056063
0.70849487 0.15659370 0.94265531
0.85506255 0.13950216 0.04356009
0.62285119 0.09136313 0.74807060
0.43820703 0.36112211 0.99787024
0.40581123 0.44059014 0.09610051
0.52168568 0.58808801 0.15286485
0.65938548 0.54719090 0.02649619
0.48321056 0.50755831 0.69845225
0.45684031 0.77090269 0.85991552
0.39369001 0.84489429 0.70141712
0.16321764 0.74742714 0.26595613
0.21708577 0.67021784 0.62202982
0.06493002 0.62742179 0.53606915
0.03414598 0.67452907 0.36312330
0.64671364 0.34853260 0.26164573
0.15743512 0.40522548 0.23812133
0.36064167 0.39100137 0.23969301
0.34256726 0.27959329 0.08247957
0.13660682 0.27835794 0.08914503
0.24809912 0.66532697 0.09076049
0.26974705 0.48151469 0.83986113
0.26167039 0.62341169 0.73468904
0.17763755 0.10044117 0.68470498
0.35341486 0.87761917 0.90149436
0.36104405 0.05175702 0.93937902
0.26064698 0.16308198 0.83866835
0.28685347 0.12531392 0.32478209
0.09787387 0.13101702 0.10700735
0.91454718 0.85989978 0.01871675
0.95636685 0.04272302 0.58277400
0.03593879 0.79682586 0.78871807
0.77784141 0.98635568 0.39602592
0.72679164 0.34478551 0.11682518
0.78047038 0.57378771 0.89495145
0.88666740 0.56883466 0.31474603
0.08705949 0.58552776 0.06625275
0.47693824 0.28412848 0.69136251
0.86003287 0.72602137 0.80346654
0.64082785 0.67731055 0.54539764
0.68222152 0.97968751 0.91801545
0.57861721 0.99190012 0.59064480
0.85870730 0.30835078 0.69296617
0.45323311 0.43247648 0.81328418
0.54359403 0.70023012 0.99825381
0.48459507 0.26990932 0.19177266
0.68906494 0.54017132 0.23260620
0.35871871 0.75970827 0.53561444
0.27180330 0.56335090 0.19386940
0.19007968 0.36618525 0.92370331
0.28542670 0.30628696 0.39859851
0.29357380 0.09819024 0.13326096
0.23001349 0.79190314 0.77170720
0.00871943 0.98506499 0.09110859
0.97535342 0.89631766 0.66517691
0.75186190 0.41868068 0.96322653
0.00477392 0.59382799 0.20649240
0.77252178 0.68738705 0.65515439
0.62196006 0.01053683 0.75798520
0.50233077 0.58249168 0.87785369
0.59973470 0.39386672 0.22954967
0.24537526 0.48270603 0.04075203
0.28218391 0.18367707 0.27900352
0.80085995 0.22740541 0.30111858
0.95145456 0.24280124 0.31335295
0.87891230 0.18482181 0.43766137
0.78801005 0.99144841 0.57972150
0.62187577 0.18090677 0.70847753
0.77879763 0.13185769 0.64534357
0.39064423 0.31865602 0.96470729
0.47446713 0.12605120 0.82562300
0.52305871 0.15040766 0.97962227
0.39080315 0.14572768 0.44872815
0.36956437 0.04860716 0.57321170
0.48989587 0.14820364 0.57690333
0.85765678 0.43823677 0.84627527
0.07284675 0.55316375 0.72015606
0.02978849 0.47037112 0.84358183
0.99751204 0.19596724 0.68557346
0.09140738 0.19973042 0.81809962
0.04778680 0.33378357 0.74470174
0.33605054 0.47733991 0.55815387
0.48138826 0.49408461 0.52222176
0.37725196 0.58000412 0.44418413
0.35408863 0.89350181 0.36560270
0.32196254 0.79555057 0.23984433
0.42235182 0.75549459 0.35726332
0.29647826 0.84929611 0.07340436
0.15098146 0.79706664 0.07836241
0.19149918 0.90198544 0.96920197
0.26195238 0.90998875 0.55558554
0.14371144 0.00182511 0.55305324
0.12807668 0.84710279 0.58699447
No title
1
14.512252 -0.321297 -0.457443
-0.319034 13.805731 0.006245
-0.459061 0.009839 13.547659
C H O N F
110 60 25 10 30
Direct configuration= 58
0.07706293 0.04137575 0.95369587
0.92968219 0.02027903 0.75829942
0.95167235 0.94295401 0.82608834
0.02330916 0.95578566 0.92300477
0.06702593 0.06173065 0.05489636
0.97482853 0.92414635 0.01393835
0.95462962 -0.00343782 0.66091992
0.99206887 0.86688054 0.76079071
0.96412657 0.98785753 0.17901695
0.94543505 0.07667742 0.21950601
0.88669331 0.08199339 0.29614623
0.93123714 0.90108174 0.21980802
0.86939748 0.90519199 0.29262030
0.84343963 0.99434295 0.32692064
0.71140539 0.05298412 0.39630494
0.70791777 0.10702761 0.48499419
0.64853840 0.18488006 0.49058686
0.65039442 0.07037455 0.31657291
0.58695643 0.14229943 0.32573586
0.58860594 0.20165986 0.41010493
0.87897190 0.18277859 0.33727804
0.75878172 0.07842313 0.56853396
0.84587471 0.47266873 0.09345179
0.85518615 0.57591919 0.13538879
0.92079254 0.60112415 0.05275440
0.89711594 0.50158847 0.00634909
0.77026451 0.40484628 0.06771134
0.81730457 0.49853229 0.92540270
0.91395500 0.58061826 0.23140156
0.01453898 0.59620515 0.10449659
0.67739379 0.39208757 0.90501611
0.59310204 0.34426830 0.94501761
0.54244614 0.27916205 0.86716212
0.67076789 0.42018518 0.80290352
0.60419981 0.38198056 0.73672937
0.53469291 0.31403145 0.76570473
0.38200707 0.26501001 0.68392545
0.34534927 0.21229098 0.60104600
0.25154153 0.21633820 0.57312029
0.32317044 0.30724494 0.74589327
0.23085543 0.31262235 0.71522294
0.19475540 0.27122286 0.62666572
0.51408949 0.18875185 0.89005307
0.39964779 0.14067426 0.55052973
0.75205895 0.83896910 0.72865131
0.66506852 0.85073302 0.79156508
0.60735642 0.85230342 0.69210036
0.68870680 0.82552684 0.63420107
0.80283982 0.74735234 0.73881753
0.69355548 0.72251822 0.60426997
0.65840215 0.95275478 0.83363335
0.59675419 0.95861051 0.67323917
0.80684983 0.59628512 0.63903546
0.89614432 0.57962163 0.67460921
0.92275622 0.48367639 0.69487362
0.75395583 0.52038919 0.59163242
0.78262377 0.42648982 0.60419771
0.85718851 0.40437509 0.66928992
0.85504503 0.26713132 0.78799826
0.93795371 0.24174597 0.83554151
0.93881797 0.20181421 0.93048983
0.77221572 0.23587246 0.82548814
0.77309916 0.18710674 0.91602268
0.85581627 0.17471366 0.97143798
0.00782072 0.49456759 0.75303400
0.01817614 0.24220814 0.77319946
0.55319518 0.44358761 0.95898067
0.47624462 0.43436125 0.12542825
0.54585634 0.51781421 0.12944484
0.58442140 0.52955346 0.02388592
0.49874801 0.48013446 0.87892073
0.54231709 0.61698543 0.96812711
0.50976970 0.35549952 0.17859343
0.61788180 0.48325205 0.20377037
0.47065867 0.63212885 0.79178985
0.46181655 0.58085938 0.70232758
0.41991573 0.61792801 0.61676709
0.44612869 0.72853595 0.79225451
0.41004432 0.76879568 0.70452736
0.39335190 0.71388231 0.61839474
0.27552807 0.72727758 0.49129068
0.26152192 0.74957302 0.39108291
0.17456668 0.72920695 0.34385855
0.20661545 0.68070651 0.54285268
0.12063993 0.65987748 0.49495782
0.10389318 0.68597946 0.39637927
0.40315017 0.54459063 0.53397742
0.33973141 0.79780478 0.33902794
0.21207322 0.39681172 0.18714932
0.29868992 0.34348331 0.22571164
0.28934211 0.27634307 0.13511687
0.19796920 0.32685662 0.09899591
0.24433389 0.49239887 0.14500604
0.20928250 0.38951715 0.00959789
0.28754824 0.27873130 0.31334156
0.28640303 0.17440612 0.17671847
0.25565037 0.56238234 0.97530586
0.24958629 0.65552131 0.01174325
0.23809349 0.73665005 0.95142980
0.26123209 0.55139254 0.87331052
0.25516206 0.63238306 0.81336674
0.24137131 0.72571299 0.84807871
0.25329385 0.88930183 0.77918028
0.21168301 0.95350869 0.70965234
0.21428855 0.05155862 0.73447907
0.31535129 0.92691152 0.85321700
0.31900895 0.02541402 0.87493988
0.26344563 0.08709614 0.81930573
0.22014469 0.82159281 0.01574338
0.18536211 0.92855485 0.60347265
0.12802572 0.08028814 0.91226836
0.89486771 0.08478417 0.77647360
0.89251374 0.91069373 0.86400839
0.06654701 0.89627149 0.90273953
0.97779941 0.14245743 0.19111905
0.95063981 0.83231771 0.19057280
0.83761635 0.83949712 0.32264526
0.64353554 0.21787226 0.56314646
0.65182263 0.02841905 0.24872994
0.53536992 0.15471149 0.26579972
0.53681590 0.25576871 0.41496262
0.00881926 0.86685992 0.60970345
0.73980827 0.51113829 0.27330729
0.79169570 0.61547989 0.13772599
0.91030864 0.66484292 0.00541276
0.95411111 0.45855461 0.98488158
0.60833129 0.30516931 0.01389749
0.72273617 0.47124610 0.77760179
0.60135617 0.40391237 0.65948553
0.22316976 0.17489848 0.50936081
0.34859077 0.33790315 0.81612531
0.18842416 0.34806389 0.76539499
0.12215024 0.27549973 0.60286582
0.06064006 0.58811969 0.25575123
0.80098296 0.90176595 0.73365554
0.65350499 0.79439320 0.84696159
0.54297715 0.80993308 0.67893229
0.69880798 0.86924357 0.56816982
0.94060124 0.64005310 0.70319602
0.68868358 0.53566213 0.55192293
0.73923863 0.36586139 0.57408293
1.00464210 0.18961929 0.96980364
0.70730793 0.23967404 0.78049788
0.70860621 0.15669014 0.94262947
0.85516297 0.13961021 0.04357238
0.62282513 0.09134336 0.74804848
0.43818414 0.36118758 0.99797930
0.40577399 0.44068992 0.09617214
0.52168046 0.58817506 0.15290445
0.65940594 0.54720329 0.02659191
0.48339114 0.50760471 0.69844812
0.45679802 0.77094189 0.85992423
0.39364509 0.84489216 0.70138880
0.16317463 0.74750052 0.26592554
0.21714249 0.67007110 0.62197525
0.06494938 0.62738386 0.53602579
0.03411188 0.67463843 0.36311371
0.64664360 0.34860116 0.26177166
0.15744313 0.40525217 0.23818830
0.36061116 0.39095219 0.23977616
0.34251011 0.27957656 0.08249035
0.13655275 0.27834037 0.08921815
0.24808997 0.66532334 0.09079172
0.26973701 0.48145909 0.83988099
0.26170774 0.62335615 0.73468911
0.17769418 0.10046309 0.68474775
0.35344676 0.87761834 0.90155798
0.36105399 0.05176186 0.93948101
0.26069602 0.16310685 0.83874295
0.28673002 0.12526709 0.32480329
0.09786561 0.13093952 0.10703322
0.91455284 0.85976544 0.01873762
0.95623761 0.04262857 0.58272618
0.03594787 0.79677200 0.78865601
0.77781814 0.98637352 0.39605679
0.72672580 0.34483215 0.11689777
0.78040442 0.57384331 0.89504538
0.88664714 0.56875725 0.31483418
0.08705499 0.58561818 0.06633462
0.47692110 0.28409106 0.69137490
0.86003844 0.72597827 0.80342950
0.64088370 0.67730366 0.54519936
0.68225142 0.97969930 0.91797055
0.57851402 0.99185562 0.59060041
0.85886084 0.30833162 0.69289427
0.45322392 0.43252466 0.81330829
0.54372431 0.70030261 0.99825342
0.48453266 0.26999455 0.19186155
0.68903574 0.54024533 0.23270179
0.35872734 0.75966797 0.53557266
0.27184384 0.56331474 0.19389009
0.19000033 0.36616712 0.92377073
0.28528219 0.30627192 0.39864993
0.29357360 0.09817033 0.13329116
0.23006784 0.79189195 0.77171468
0.00870396 0.98499396 0.09112500
0.97528269 0.89623711 0.66513203
0.75185101 0.41868476 0.96324887
0.00475183 0.59377134 0.20658391
0.77252022 0.68736794 0.65504855
0.62192978 0.01050904 0.75793607
0.50238367 0.58254350 0.87787137
0.59968382 0.39394882 0.22964427
0.24533106 0.48267931 0.04078432
0.28208732 0.18364106 0.27902988
0.80084333 0.22740854 0.30119309
0.95143406 0.24281824 0.31335295
0.87895988 0.18483351 0.43771174
0.78787461 0.99147248 0.57977937
0.62186805 0.18092801 0.70851737
0.77873428 0.13194167 0.64538084
0.39063393 0.31872914 0.96475233
0.47449375 0.12600649 0.82562679
0.52306709 0.15037601 0.97964875
0.39072208 0.14564932 0.44866620
0.36967045 0.04855702 0.57322539
0.48991327 0.14827820 0.57676901
0.85760081 0.43836234 0.84622701
0.07287756 0.55317421 0.72013064
0.02976822 0.47035651 0.84352102
0.99770006 0.19580313 0.68563909
0.09158201 0.19990816 0.81819079
0.04779571 0.33379048 0.74452402
0.33606995 0.47736951 0.55807559
0.48143654 0.49399367 0.52224329
0.37740828 0.58000252 0.44413033
0.35406992 0.89351300 0.36558244
0.32193129 0.79557090 0.23978975
0.42233377 0.75550083 0.35720136
0.29663487 0.84938676 0.07330049
0.15117515 0.79710888 0.07850692
0.19148874 0.90197028 0.96920932
0.26191238 0.90999802 0.55556407
0.14362720 0.00177097 0.55311508
0.12810202 0.84703752 0.58710671
No title
1
14.513392 -0.321029 -0.458441
-0.318933 13.802588 0.004400
-0.460183 0.007999 13.544078
C H O N F
110 60 25 10 30
Direct configuration= 59
0.07691587 0.04114261 0.95366718
0.92961189 0.02007358 0.75829794
0.95163723 0.94278037 0.82598041
0.02323206 0.95558027 0.92302262
0.06693398 0.06150309 0.05498610
0.97479914 0.92387576 0.01397497
0.95440858 -0.00368747 0.66076380
0.99202252 0.86667267 0.76067888
0.96407616 0.98768726 0.17910647
0.94542488 0.07658733 0.21958190
0.88665869 0.08196441 0.29623419
0.93117322 0.90096878 0.21992428
0.86930177 0.90512350 0.29275599
0.84338047 0.99434502 0.32701448
0.71133866 0.05306030 0.39630218
0.70778186 0.10723184 0.48488712
0.64850383 0.18514723 0.49040819
0.65035050 0.07036984 0.31645540
0.58693385 0.14232830 0.32551176
0.58857703 0.20184873 0.40981543
0.87897715 0.18279913 0.33738803
0.75858185 0.07859600 0.56863232
0.84582996 0.47269724 0.09355215
0.85514991 0.57593579 0.13559598
0.92075529 0.60121560 0.05297865
0.89702750 0.50168713 0.00641622
0.77019076 0.40491753 0.06783730
0.81723669 0.49866352 0.92550762
0.91390248 0.58048563 0.23165238
0.01449239 0.59627889 0.10474212
0.67731114 0.39210274 0.90511241
0.59302909 0.34429163 0.94513271
0.54235589 0.27915082 0.86725813
0.67068540 0.42018622 0.80294186
0.60409497 0.38191565 0.73675375
0.53462053 0.31393617 0.76574937
0.38194932 0.26492888 0.68387150
0.34531187 0.21215839 0.60094349
0.25152995 0.21626460 0.57295341
0.32312783 0.30729397 0.74575300
0.23086098 0.31282606 0.71495654
0.19478454 0.27133034 0.62637129
0.51407862 0.18867007 0.89012724
0.39966249 0.14058550 0.55038343
0.75198504 0.83891385 0.72846483
0.66502396 0.85063967 0.79142523
0.60727742 0.85216978 0.69194110
0.68862238 0.82546215 0.63397953
0.80280874 0.74727547 0.73861469
0.69357637 0.72246872 0.60387615
0.65838419 0.95271220 0.83348221
0.59657238 0.95850108 0.67308197
0.80687205 0.59620655 0.63875630
0.89618775 0.57963485 0.67428720
0.92285915 0.48370516 0.69464206
0.75393243 0.52021851 0.59150128
0.78266471 0.42632656 0.60411054
0.85733656 0.40432131 0.66909020
0.85543670 0.26717391 0.78785764
0.93828980 0.24184852 0.83546547
0.93916668 0.20197097 0.93049915
0.77256050 0.23599004 0.82531344
0.77345165 0.18730875 0.91595990
0.85611169 0.17496080 0.97139164
0.00784215 0.49457104 0.75286524
0.01856196 0.24224632 0.77318275
0.55321523 0.44369218 0.95907968
0.47617089 0.43457900 0.12558365
0.54580843 0.51802943 0.12960130
0.58447403 0.52966609 0.02404105
0.49877971 0.48024473 0.87899962
0.54253705 0.61715347 0.96819252
0.50962374 0.35574303 0.17881490
0.61778330 0.48345557 0.20402312
0.47083039 0.63224746 0.79180388
0.46214344 0.58093719 0.70230422
0.42015157 0.61790026 0.61671157
0.44611197 0.72861460 0.79226057
0.40999818 0.76880178 0.70447419
0.39341113 0.71382334 0.61833362
0.27556763 0.72714723 0.49116183
0.26149174 0.74955570 0.39095168
0.17450079 0.72933104 0.34376043
0.20668763 0.68047994 0.54268984
0.12066819 0.65980302 0.49484660
0.10383811 0.68612183 0.39630102
0.40338538 0.54453396 0.53388953
0.33967849 0.79782874 0.33889218
0.21201078 0.39681766 0.18731606
0.29859252 0.34340877 0.22584928
0.28921291 0.27625997 0.13519272
0.19782485 0.32680862 0.09912858
0.24433088 0.49234988 0.14510410
0.20909300 0.38945076 0.00972418
0.28727233 0.27862797 0.31342778
0.28628211 0.17431528 0.17678339
0.25558861 0.56230280 0.97537631
0.24957941 0.65547335 0.01179590
0.23817731 0.73661492 0.95148820
0.26121971 0.55127641 0.87334359
0.25523032 0.63227174 0.81339494
0.24147922 0.72563940 0.84809643
0.25340469 0.88928894 0.77927504
0.21180167 0.95353531 0.70978373
0.21442195 0.05159937 0.73459068
0.31546456 0.92693753 0.85340250
0.31908475 0.02541621 0.87515288
0.26358186 0.08716532 0.81950963
0.22040617 0.82166359 0.01579732
0.18532369 0.92848068 0.60360614
0.12785071 0.08018442 0.91221847
0.89487048 0.08468011 0.77644804
0.89246183 0.91046422 0.86390508
0.06647719 0.89600948 0.90272229
0.97781684 0.14234545 0.19120986
0.95054539 0.83213379 0.19074378
0.83749749 0.83946328 0.32278782
0.64348767 0.21828843 0.56289707
0.65180719 0.02831257 0.24864998
0.53533899 0.15466130 0.26553884
0.53681462 0.25599854 0.41458202
0.00855717 0.86662153 0.60950566
0.73971978 0.51134445 0.27362906
0.79167947 0.61552688 0.13799495
0.91027106 0.66499752 0.00569882
0.95404324 0.45865220 0.98489779
0.60825997 0.30521342 0.01404070
0.72261440 0.47122181 0.77763207
0.60123341 0.40382087 0.65949609
0.22314616 0.17479956 0.50916443
0.34855691 0.33800909 0.81601384
0.18844498 0.34845948 0.76501383
0.12221919 0.27574210 0.60244303
0.06057699 0.58794140 0.25603963
0.80088664 0.90172612 0.73351113
0.65350322 0.79431597 0.84684953
0.54293325 0.80972258 0.67877565
0.69864799 0.86925867 0.56796892
0.94065944 0.64012000 0.70277562
0.68862355 0.53543257 0.55183325
0.73928897 0.36562721 0.57404529
1.00495299 0.18981005 0.96985175
0.70766396 0.23977443 0.78031941
0.70893014 0.15697125 0.94255273
0.85545757 0.13992474 0.04361255
0.62274790 0.09128430 0.74798297
0.43811295 0.36137833 0.99829837
0.40566988 0.44098206 0.09638469
0.52166397 0.58843349 0.15302057
0.65946639 0.54723875 0.02687059
0.48392115 0.50774094 0.69843647
0.45667442 0.77105537 0.85994824
0.39351316 0.84488834 0.70130532
0.16304887 0.74771847 0.26583681
0.21730808 0.66964165 0.62180928
0.06500240 0.62726993 0.53590204
0.03401596 0.67496144 0.36308706
0.64643753 0.34880589 0.26213932
0.15745418 0.40533186 0.23839403
0.36052904 0.39081459 0.24002090
0.34234185 0.27952744 0.08252234
0.13639506 0.27829150 0.08943181
0.24806332 0.66531182 0.09088181
0.26970778 0.48129543 0.83993760
0.26181690 0.62319656 0.73468610
0.17785615 0.10053316 0.68486916
0.35353870 0.87761750 0.90174015
0.36108896 0.05177918 0.93978629
0.26083940 0.16317286 0.83895951
0.28636649 0.12512915 0.32486803
0.09786880 0.13076988 0.10715225
0.91460330 0.85940848 0.01879578
0.95586366 0.04238892 0.58253008
0.03598029 0.79660087 0.78847534
0.77774675 0.98643041 0.39614116
0.72659911 0.34506432 0.11703316
0.78018174 0.57404508 0.89530291
0.88659113 0.56853127 0.31508902
0.08704350 0.58588032 0.06657722
0.47686329 0.28398067 0.69140304
0.85994792 0.72589216 0.80320327
0.64105361 0.67728893 0.54462826
0.68233718 0.97973150 0.91782885
0.57820943 0.99172722 0.59046391
0.85930968 0.30827108 0.69268861
0.45319981 0.43266885 0.81338336
0.54410454 0.70054338 0.99826361
0.48434706 0.27023272 0.19212574
0.68894996 0.54046105 0.23298057
0.35875321 0.75954676 0.53545234
0.27200013 0.56330755 0.19401489
0.18973716 0.36607593 0.92381087
0.28486119 0.30621741 0.39876928
0.29357753 0.09803829 0.13333637
0.23022861 0.79186270 0.77174482
0.00865931 0.98479615 0.09120296
0.97510362 0.89596468 0.66491066
0.75179786 0.41868481 0.96329141
0.00471636 0.59360369 0.20687277
0.77251136 0.68732034 0.65474357
0.62183902 0.01042965 0.75779329
0.50254013 0.58269678 0.87792916
0.59953375 0.39417903 0.22992785
0.24520839 0.48261634 0.04086508
0.28180254 0.18353223 0.27909953
0.80079607 0.22741670 0.30140972
0.95137392 0.24286637 0.31335278
0.87909811 0.18486685 0.43785765
0.78746616 0.99158195 0.57993710
0.62184533 0.18099003 0.70863616
0.77853738 0.13215665 0.64542804
0.39060503 0.31894423 0.96488490
0.47457116 0.12588203 0.82564342
0.52309267 0.15028653 0.97972739
0.39048464 0.14542064 0.44848574
0.36998166 0.04841120 0.57326862
0.48996407 0.14849622 0.57637625
0.85743731 0.43872809 0.84607749
0.07296956 0.55321445 0.72005831
0.02971949 0.47029801 0.84338935
0.99825395 0.19532442 0.68583499
0.09210534 0.20042416 0.81846242
0.04782258 0.33380783 0.74400638
0.33612999 0.47745994 0.55784561
0.48158201 0.49372666 0.52230758
0.37786765 0.57999932 0.44397308
0.35401469 0.89354799 0.36552205
0.32183688 0.79563089 0.23962338
0.42228099 0.75551968 0.35701646
0.29709712 0.84965428 0.07300240
0.15174771 0.79723435 0.07893380
0.19145459 0.90192959 0.96922943
0.26179360 0.91002710 0.55550182
0.14338006 0.00161183 0.55329906
0.12817704 0.84684435 0.58743698
No title
1
14.513251 -0.321038 -0.458281
-0.318924 13.802986 0.004579
-0.460017 0.008178 13.544316
C H O N F
110 60 25 10 30
Direct configuration= 60
0.07696013 0.04121808 0.95370372
0.92961298 0.02013527 0.75824751
0.95163286 0.94276644 0.82602725
0.02323787 0.95557027 0.92300378
0.06696184 0.06155148 0.05495453
0.97478995 0.92390039 0.01397460
0.95443415 -0.00366503 0.66080962
0.99202377 0.86670875 0.76065983
0.96408477 0.98772913 0.17909675
0.94541952 0.07659044 0.21957867
0.88667138 0.08197530 0.29621505
0.93116906 0.90096018 0.21992294
0.86932488 0.90514617 0.29272737
0.84338543 0.99433187 0.32700484
0.71133909 0.05304789 0.39627794
0.70781729 0.10720257 0.48494029
0.64849216 0.18511556 0.49039982
0.65036423 0.07036613 0.31648004
0.58693366 0.14232874 0.32553941
0.58859309 0.20181998 0.40986622
0.87897377 0.18279642 0.33737284
0.75859493 0.07858021 0.56859495
0.84584302 0.47270438 0.09353924
0.85515706 0.57593320 0.13557460
0.92075408 0.60120401 0.05294770
0.89705425 0.50167083 0.00641345
0.77019376 0.40490575 0.06781157
0.81721446 0.49867611 0.92546871
0.91391185 0.58050076 0.23162564
0.01450900 0.59626562 0.10471507
0.67732408 0.39210730 0.90508422
0.59303463 0.34428930 0.94511734
0.54236561 0.27914914 0.86724427
0.67067009 0.42016162 0.80294821
0.60412122 0.38193398 0.73675239
0.53463449 0.31394880 0.76575617
0.38196254 0.26492776 0.68386051
0.34532521 0.21218040 0.60096707
0.25152962 0.21626570 0.57296417
0.32313278 0.30730032 0.74579313
0.23085866 0.31279187 0.71497332
0.19477800 0.27132605 0.62642221
0.51408132 0.18868653 0.89011592
0.39965835 0.14059734 0.55040048
0.75199182 0.83891377 0.72848778
0.66503062 0.85065762 0.79143774
0.60728246 0.85218240 0.69195968
0.68863431 0.82547331 0.63400275
0.80280405 0.74728794 0.73863026
0.69358419 0.72248477 0.60393806
0.65839092 0.95271852 0.83351610
0.59659983 0.95850458 0.67311791
0.80686372 0.59622175 0.63879019
0.89618835 0.57962887 0.67432900
0.92283351 0.48369624 0.69466360
0.75393701 0.52024032 0.59151877
0.78265100 0.42633935 0.60411378
0.85732754 0.40433028 0.66912302
0.85535873 0.26717285 0.78786634
0.93827774 0.24182438 0.83549373
0.93910219 0.20195808 0.93048006
0.77253294 0.23597090 0.82534963
0.77338696 0.18729471 0.91593932
0.85610251 0.17492081 0.97142445
0.00786047 0.49458768 0.75288117
0.01850803 0.24224372 0.77318913
0.55321757 0.44367468 0.95907331
0.47616562 0.43456339 0.12555370
0.54581850 0.51799443 0.12958082
0.58446478 0.52965373 0.02402165
0.49877595 0.48024258 0.87898923
0.54250936 0.61713467 0.96818327
0.50964527 0.35570453 0.17879337
0.61780254 0.48345097 0.20398876
0.47080894 0.63223087 0.79179872
0.46210275 0.58093215 0.70231154
0.42012310 0.61790329 0.61671864
0.44611240 0.72860615 0.79225356
0.41000660 0.76879799 0.70448659
0.39340191 0.71383174 0.61833751
0.27555780 0.72716310 0.49117012
0.26150436 0.74956033 0.39097272
0.17450431 0.72931526 0.34377006
0.20668591 0.68050740 0.54272511
0.12066123 0.65981637 0.49484311
0.10384441 0.68610121 0.39632072
0.40335718 0.54454161 0.53389922
0.33968191 0.79782380 0.33891046
0.21203366 0.39681439 0.18727769
0.29859302 0.34341074 0.22582777
0.28922929 0.27627559 0.13518342
0.19784073 0.32681435 0.09911955
0.24433182 0.49236274 0.14510220
0.20911568 0.38945940 0.00969947
0.28730707 0.27866080 0.31346799
0.28629818 0.17431177 0.17676581
0.25559728 0.56230301 0.97535528
0.24957972 0.65548665 0.01180893
0.23816739 0.73662042 0.95147370
0.26122110 0.55128883 0.87334918
0.25522327 0.63228117 0.81337849
0.24146500 0.72565949 0.84810143
0.25340418 0.88930009 0.77928072
0.21178302 0.95352891 0.70975637
0.21442006 0.05160119 0.73460246
0.31543922 0.92691044 0.85336276
0.31908271 0.02543818 0.87514080
0.26355393 0.08713932 0.81946300
0.22037544 0.82165423 0.01579330
0.18533049 0.92848676 0.60359437
0.12785822 0.08018527 0.91223203
0.89487719 0.08467699 0.77645101
0.89247966 0.91049786 0.86391340
0.06647714 0.89605136 0.90272475
0.97781592 0.14236124 0.19119752
0.95055610 0.83216186 0.19072333
0.83751008 0.83946182 0.32277220
0.64349382 0.21823897 0.56293587
0.65180901 0.02832541 0.24865997
0.53534335 0.15466777 0.26557069
0.53681237 0.25597154 0.41462824
0.00860475 0.86663793 0.60950647
0.73972571 0.51132232 0.27358497
0.79168107 0.61552022 0.13796097
0.91027585 0.66497648 0.00566542
0.95404490 0.45864456 0.98489808
0.60826892 0.30520823 0.01402362
0.72264230 0.47123746 0.77762249
0.60124854 0.40383049 0.65949635
0.22315115 0.17481359 0.50919406
0.34855859 0.33799255 0.81601826
0.18844036 0.34841314 0.76506452
0.12221247 0.27571113 0.60249553
0.06059212 0.58796234 0.25601059
0.80090095 0.90173375 0.73352849
0.65350308 0.79432286 0.84686513
0.54294177 0.80975086 0.67879534
0.69866780 0.86925430 0.56799634
0.94065236 0.64011283 0.70282789
0.68863015 0.53546052 0.55184468
0.73928640 0.36566057 0.57405270
1.00492303 0.18978569 0.96985138
0.70761591 0.23976238 0.78033915
0.70889059 0.15693529 0.94256368
0.85541984 0.13989088 0.04359679
0.62275696 0.09129060 0.74799140
0.43811749 0.36135152 0.99825631
0.40569044 0.44094450 0.09636162
0.52166466 0.58840424 0.15300651
0.65945980 0.54723390 0.02683488
0.48385621 0.50772221 0.69843798
0.45669019 0.77104181 0.85994632
0.39352927 0.84488986 0.70131525
0.16306503 0.74769228 0.26584932
0.21728645 0.66969562 0.62182220
0.06499345 0.62728218 0.53592003
0.03402894 0.67492200 0.36309063
0.64646185 0.34878229 0.26209352
0.15744355 0.40532327 0.23837647
0.36054434 0.39083615 0.23999147
0.34236292 0.27953310 0.08251779
0.13641552 0.27829840 0.08940404
0.24806710 0.66531111 0.09086131
0.26971123 0.48131750 0.83993051
0.26180250 0.62321847 0.73469352
0.17783247 0.10052808 0.68484875
0.35352839 0.87761888 0.90171749
0.36108112 0.05177369 0.93974184
0.26082224 0.16317185 0.83893545
0.28641080 0.12514907 0.32485857
0.09785685 0.13076772 0.10712122
0.91460995 0.85946660 0.01878705
0.95590909 0.04242286 0.58255301
0.03597859 0.79661750 0.78850529
0.77775424 0.98642518 0.39613369
0.72660926 0.34502861 0.11702398
0.78022569 0.57399005 0.89528612
0.88659765 0.56855965 0.31505391
0.08703665 0.58584880 0.06655084
0.47686105 0.28399097 0.69139455
0.85996524 0.72589988 0.80323862
0.64102323 0.67728304 0.54468795
0.68232292 0.97972359 0.91783072
0.57824337 0.99175044 0.59046572
0.85925461 0.30827911 0.69271284
0.45319859 0.43264580 0.81336795
0.54405743 0.70051090 0.99826173
0.48436977 0.27020345 0.19209346
0.68896196 0.54042648 0.23294896
0.35875405 0.75956080 0.53547090
0.27197771 0.56330012 0.19399224
0.18977202 0.36608953 0.92381295
0.28491371 0.30620931 0.39870892
0.29357537 0.09806845 0.13333913
0.23020675 0.79185982 0.77174133
0.00865987 0.98481210 0.09119503
0.97510931 0.89601561 0.66498430
0.75181636 0.41868830 0.96329552
0.00470641 0.59362540 0.20682121
0.77251429 0.68732182 0.65478070
0.62184885 0.01044501 0.75780902
0.50252201 0.58267467 0.87792539
0.59955325 0.39413660 0.22989653
0.24522384 0.48262531 0.04085640
0.28183766 0.18353971 0.27908764
0.80080363 0.22741438 0.30138385
0.95138178 0.24285940 0.31335305
0.87908106 0.18486285 0.43783942
0.78751613 0.99156805 0.57992008
0.62184853 0.18098084 0.70862156
0.77856339 0.13213183 0.64542330
0.39061235 0.31892109 0.96487146
0.47456079 0.12589783 0.82564250
0.52308978 0.15029722 0.97971981
0.39051398 0.14544740 0.44851082
0.36994377 0.04842845 0.57326436
0.48995939 0.14846961 0.57642562
0.85745752 0.43868486 0.84609708
0.07294399 0.55319823 0.72007500
0.02972592 0.47030223 0.84340678
0.99818661 0.19538088 0.68580961
0.09203885 0.20036193 0.81842807
0.04782107 0.33380435 0.74406980
0.33612259 0.47744858 0.55787417
0.48156336 0.49376085 0.52230021
0.37781187 0.57999907 0.44399413
0.35402165 0.89354417 0.36552875
0.32184847 0.79562423 0.23964428
0.42228741 0.75551781 0.35703798
0.29703817 0.84962170 0.07303751
0.15167761 0.79721959 0.07888118
0.19145841 0.90193384 0.96922750
0.26180825 0.91002463 0.55550995
0.14340891 0.00163305 0.55327554
0.12816869 0.84686870 0.58739690
No title
1
14.514073 -0.320667 -0.459021
-0.318689 13.800529 0.003135
-0.460860 0.006734 13.541332
C H O N F
110 60 25 10 30
Direct configuration= 61
0.07687386 0.04108891 0.95372428
0.92957111 0.01998670 0.75812834
0.95159670 0.94260262 0.82599195
0.02315756 0.95536658 0.92298588
0.06691979 0.06141022 0.05500409
0.97480077 0.92372836 0.01400178
0.95423282 -0.00378512 0.66070720
0.99198918 0.86653159 0.76054983
0.96404534 0.98760541 0.17917450
0.94540206 0.07652066 0.21965060
0.88665049 0.08195718 0.29627763
0.93110726 0.90086099 0.22002578
0.86925816 0.90509089 0.29282361
0.84334035 0.99433033 0.32707856
0.71128168 0.05310730 0.39625913
0.70775619 0.10733603 0.48492366
0.64845348 0.18533087 0.49025298
0.65033430 0.07035693 0.31639075
0.58691593 0.14235706 0.32536997
0.58856703 0.20196596 0.40963499
0.87897561 0.18280897 0.33745430
0.75840465 0.07872693 0.56859560
0.84581479 0.47274662 0.09359958
0.85512947 0.57595218 0.13574533
0.92072233 0.60127135 0.05311928
0.89702271 0.50174688 0.00649074
0.77017007 0.40501344 0.06783856
0.81711811 0.49878307 0.92552361
0.91388529 0.58039673 0.23181086
0.01445308 0.59631772 0.10491818
0.67725348 0.39212007 0.90514906
0.59297884 0.34430999 0.94520737
0.54229085 0.27912360 0.86732898
0.67060149 0.42015921 0.80297752
0.60403558 0.38187308 0.73678962
0.53458681 0.31388854 0.76578021
0.38191469 0.26487418 0.68383461
0.34529396 0.21207095 0.60088173
0.25152099 0.21621372 0.57284658
0.32309764 0.30733179 0.74566724
0.23087239 0.31295780 0.71478463
0.19479738 0.27139912 0.62617978
0.51407682 0.18864351 0.89017000
0.39967074 0.14052948 0.55029037
0.75193548 0.83886197 0.72834322
0.66499782 0.85058787 0.79132589
0.60722083 0.85207629 0.69183548
0.68857229 0.82542604 0.63382883
0.80272697 0.74725109 0.73841838
0.69359579 0.72243584 0.60362558
0.65837580 0.95267837 0.83339147
0.59645548 0.95842557 0.67297783
0.80687476 0.59616364 0.63857243
0.89622735 0.57963464 0.67407959
0.92289337 0.48370671 0.69446747
0.75392091 0.52010439 0.59141863
0.78268504 0.42620981 0.60404515
0.85744338 0.40428992 0.66897162
0.85566780 0.26720785 0.78775722
0.93853768 0.24189953 0.83544537
0.93937348 0.20208722 0.93047366
0.77279730 0.23605902 0.82521948
0.77365945 0.18745897 0.91587876
0.85633418 0.17510596 0.97140301
0.00791144 0.49460604 0.75277562
0.01880995 0.24226960 0.77318274
0.55323950 0.44374734 0.95915708
0.47610473 0.43474322 0.12566689
0.54578547 0.51816026 0.12969923
0.58450605 0.52974466 0.02414384
0.49879796 0.48034018 0.87904599
0.54267996 0.61728254 0.96824088
0.50953725 0.35587967 0.17897498
0.61772692 0.48360558 0.20418656
0.47094230 0.63232904 0.79181094
0.46235865 0.58099054 0.70229579
0.42030700 0.61788939 0.61667659
0.44610167 0.72866148 0.79225591
0.40997149 0.76880750 0.70444868
0.39344752 0.71377823 0.61828381
0.27558225 0.72705605 0.49107674
0.26148160 0.74954976 0.39086523
0.17445232 0.72941125 0.34370259
0.20674591 0.68033401 0.54259309
0.12068475 0.65975821 0.49476249
0.10380044 0.68621559 0.39625313
0.40354310 0.54450031 0.53383087
0.33964072 0.79784300 0.33880561
0.21199040 0.39681527 0.18739788
0.29851288 0.34335057 0.22594009
0.28912797 0.27621154 0.13524572
0.19772559 0.32677730 0.09922841
0.24434793 0.49237870 0.14521539
0.20895311 0.38939186 0.00971007
0.28709640 0.27854911 0.31341588
0.28620258 0.17425562 0.17682990
0.25555022 0.56225096 0.97540835
0.24957573 0.65544078 0.01185583
0.23823450 0.73659582 0.95151845
0.26121278 0.55118788 0.87337840
0.25527652 0.63220262 0.81339444
0.24154942 0.72560659 0.84811925
0.25349879 0.88930300 0.77936398
0.21187617 0.95353481 0.70985444
0.21452420 0.05164727 0.73469248
0.31552023 0.92691700 0.85349488
0.31914371 0.02545425 0.87531156
0.26366011 0.08718262 0.81961948
0.22057917 0.82171418 0.01583777
0.18530368 0.92842994 0.60370448
0.12770499 0.08009356 0.91219780
0.89489082 0.08457575 0.77643070
0.89244671 0.91031511 0.86382631
0.06641710 0.89585590 0.90271232
0.97783133 0.14227563 0.19126619
0.95048266 0.83201899 0.19085359
0.83741927 0.83943542 0.32288196
0.64345629 0.21855923 0.56274078
0.65179688 0.02824239 0.24860020
0.53532117 0.15463008 0.26536763
0.53681263 0.25614696 0.41433154
0.00842130 0.86643901 0.60932506
0.73965096 0.51148623 0.27383021
0.79166913 0.61555178 0.13816910
0.91024575 0.66509335 0.00589216
0.95398185 0.45872507 0.98490962
0.60821262 0.30524435 0.01413274
0.72255134 0.47122170 0.77764568
0.60115525 0.40375984 0.65949489
0.22313389 0.17473184 0.50904522
0.34853475 0.33808023 0.81593772
0.18845856 0.34872012 0.76476524
0.12226993 0.27589799 0.60217070
0.06054770 0.58782181 0.25623974
0.80083168 0.90170682 0.73341402
0.65350195 0.79426176 0.84677618
0.54290909 0.80958858 0.67867261
0.69854492 0.86926349 0.56784102
0.94069896 0.64016669 0.70250155
0.68858056 0.53528192 0.55177663
0.73932748 0.36547862 0.57402527
1.00516585 0.18993675 0.96989126
0.70789265 0.23984045 0.78020277
0.70913787 0.15714960 0.94250583
0.85564829 0.14013856 0.04362165
0.62269475 0.09124365 0.74793945
0.43805591 0.36149619 0.99850195
0.40560976 0.44117135 0.09652804
0.52165159 0.58860364 0.15309345
0.65950627 0.54725955 0.02704679
0.48426821 0.50782926 0.69843014
0.45659547 0.77112968 0.85996503
0.39342801 0.84488426 0.70125037
0.16296795 0.74786539 0.26578166
0.21741432 0.66936142 0.62169342
0.06503456 0.62719301 0.53582366
0.03395780 0.67517426 0.36307232
0.64630714 0.34893696 0.26238504
0.15744692 0.40538636 0.23853675
0.36048051 0.39073114 0.24017928
0.34223418 0.27949564 0.08254041
0.13629379 0.27826217 0.08956689
0.24804753 0.66529950 0.09093048
0.26968747 0.48119748 0.83997594
0.26188617 0.62309910 0.73469737
0.17795953 0.10057913 0.68494527
0.35360294 0.87761821 0.90185886
0.36110745 0.05178534 0.93997471
0.26093321 0.16322557 0.83910394
0.28612646 0.12504458 0.32490275
0.09783859 0.13060118 0.10718793
0.91462412 0.85916468 0.01883594
0.95561527 0.04219340 0.58246492
0.03599238 0.79649826 0.78836435
0.77769518 0.98647115 0.39620501
0.72645788 0.34513525 0.11719173
0.78006292 0.57413699 0.89549732
0.88654753 0.56838301 0.31525950
0.08704284 0.58604931 0.06673261
0.47681937 0.28390262 0.69141851
0.85993932 0.72581069 0.80311592
0.64116276 0.67728093 0.54425284
0.68239324 0.97975178 0.91772301
0.57801043 0.99164541 0.59037462
0.85960156 0.30823486 0.69255124
0.45317711 0.43275297 0.81341988
0.54435233 0.70067936 0.99826310
0.48422576 0.27039225 0.19230025
0.68890043 0.54058934 0.23316853
0.35878073 0.75946735 0.53537988
0.27208001 0.56324693 0.19405581
0.18958716 0.36604061 0.92391871
0.28458204 0.30619551 0.39889939
0.29357826 0.09795807 0.13336679
0.23032799 0.79183062 0.77176740
0.00861739 0.98464465 0.09124351
0.97495476 0.89582004 0.66486760
0.75179521 0.41869761 0.96334423
0.00466276 0.59349507 0.20703207
0.77250809 0.68727993 0.65453992
0.62177565 0.01038749 0.75769740
0.50264302 0.58278954 0.87796827
0.59943333 0.39433025 0.23010608
0.24512580 0.48257000 0.04092325
0.28161545 0.18345245 0.27914526
0.80076803 0.22741859 0.30155353
0.95133730 0.24289532 0.31335358
0.87918719 0.18488867 0.43795145
0.78719687 0.99164812 0.58004850
0.62183275 0.18102702 0.70871387
0.77841915 0.13231237 0.64547307
0.39059385 0.31909111 0.96497675
0.47461779 0.12580225 0.82565884
0.52311089 0.15023031 0.97978395
0.39032814 0.14526538 0.44837969
0.37018712 0.04831537 0.57330193
0.49000267 0.14863913 0.57612216
0.85733043 0.43897489 0.84597847
0.07299868 0.55321818 0.72002937
0.02968480 0.47025591 0.84328157
0.99861896 0.19500416 0.68596062
0.09243704 0.20077015 0.81863355
0.04784439 0.33381389 0.74366547
0.33616847 0.47751610 0.55769636
0.48167437 0.49355714 0.52235158
0.37817175 0.57999497 0.44387517
0.35397826 0.89357115 0.36547964
0.32177332 0.79567242 0.23951950
0.42224566 0.75553345 0.35689005
0.29739213 0.84983067 0.07280050
0.15212274 0.79731796 0.07921580
0.19143250 0.90189776 0.96924737
0.26171859 0.91004893 0.55546136
0.14321303 0.00151102 0.55341861
0.12822877 0.84671781 0.58765728
No title
1
14.514200 -0.320627 -0.459111
-0.318669 13.800166 0.002900
-0.460968 0.006500 13.540848
C H O N F
110 60 25 10 30
Direct configuration= 62
0.07684740 0.04104933 0.95371629
0.92955620 0.01996222 0.75815870
0.95159759 0.94258845 0.82596413
0.02315280 0.95535888 0.92299078
0.06690466 0.06136865 0.05500055
0.97476889 0.92366279 0.01400934
0.95420928 -0.00384359 0.66070099
0.99197261 0.86651746 0.76053758
0.96403821 0.98758188 0.17918501
0.94540387 0.07650919 0.21965648
0.88664295 0.08195302 0.29629271
0.93110162 0.90084602 0.22003701
0.86924287 0.90508412 0.29284463
0.84333372 0.99432895 0.32708964
0.71127503 0.05311645 0.39626405
0.70772205 0.10737140 0.48488671
0.64845175 0.18536050 0.49022798
0.65032798 0.07035831 0.31637809
0.58691242 0.14235895 0.32533756
0.58856711 0.20198833 0.40960268
0.87897667 0.18281232 0.33746793
0.75839573 0.07874521 0.56863899
0.84581104 0.47275342 0.09360933
0.85512560 0.57595470 0.13577158
0.92071792 0.60128362 0.05314868
0.89700958 0.50176261 0.00649823
0.77012438 0.40497475 0.06788781
0.81711356 0.49879670 0.92554012
0.91387212 0.58037780 0.23185438
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No title
1
14.515011 -0.320376 -0.459785
-0.318539 13.798000 0.001541
-0.461735 0.005144 13.538259
C H O N F
110 60 25 10 30
Direct configuration= 63
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0.12829907 0.84656036 0.58793432
No title
1
14.515142 -0.320227 -0.459924
-0.318420 13.797484 0.001263
-0.461896 0.004863 13.537575
C H O N F
110 60 25 10 30
Direct configuration= 64
0.07673214 0.04087963 0.95370685
0.92949010 0.01978756 0.75813490
0.95155734 0.94240405 0.82589876
0.02307945 0.95515686 0.92298434
0.06684179 0.06119010 0.05505858
0.97474893 0.92343758 0.01403757
0.95401085 -0.00406421 0.66054621
0.99192931 0.86632178 0.76041915
0.96399677 0.98744543 0.17926019
0.94538696 0.07641922 0.21973286
0.88661951 0.08193090 0.29636345
0.93103283 0.90072981 0.22014947
0.86916841 0.90503175 0.29295413
0.84327888 0.99432178 0.32717756
0.71120646 0.05318337 0.39624027
0.70763192 0.10753781 0.48484623
0.64840486 0.18559999 0.49004716
0.65029702 0.07034779 0.31628334
0.58689101 0.14238886 0.32513857
0.58854716 0.20214886 0.40935118
0.87897944 0.18282748 0.33756486
0.75819409 0.07891414 0.56866718
0.84576367 0.47278095 0.09368880
0.85509471 0.57596922 0.13595825
0.92068203 0.60136584 0.05334902
0.89694381 0.50184730 0.00655951
0.77008587 0.40506868 0.06796411
0.81701982 0.49894054 0.92561387
0.91383140 0.58025653 0.23207769
0.01442817 0.59638237 0.10516212
0.67717048 0.39214180 0.90523098
0.59290699 0.34433462 0.94532067
0.54220046 0.27911573 0.86742392
0.67050162 0.42014291 0.80302187
0.60394383 0.38181480 0.73681688
0.53451910 0.31379304 0.76583487
0.38186431 0.26478434 0.68377059
0.34526669 0.21194070 0.60079656
0.25151171 0.21612737 0.57267981
0.32305680 0.30739489 0.74554595
0.23087686 0.31315609 0.71450560
0.19482628 0.27151081 0.62590248
0.51406552 0.18857107 0.89024946
0.39968801 0.14043697 0.55015278
0.75186225 0.83880375 0.72814858
0.66495458 0.85049794 0.79117597
0.60714113 0.85194023 0.69166842
0.68849083 0.82536228 0.63359852
0.80271609 0.74715657 0.73823395
0.69362368 0.72239355 0.60323309
0.65836062 0.95263654 0.83324340
0.59627641 0.95830511 0.67283291
0.80689430 0.59608148 0.63828958
0.89627445 0.57964339 0.67375578
0.92299302 0.48372762 0.69422618
0.75389726 0.51993003 0.59128804
0.78272391 0.42603751 0.60395118
0.85759998 0.40423213 0.66877710
0.85604045 0.26725469 0.78761047
0.93889797 0.24199506 0.83538350
0.93970981 0.20225387 0.93047212
0.77315864 0.23617535 0.82505584
0.77399788 0.18766984 0.91579397
0.85665177 0.17534765 0.97137323
0.00793687 0.49462375 0.75260281
0.01919537 0.24231023 0.77316562
0.55326164 0.44385288 0.95925746
0.47602433 0.43496724 0.12580962
0.54574461 0.51837247 0.12985150
0.58455958 0.52986021 0.02429975
0.49882992 0.48045879 0.87912480
0.54289971 0.61744193 0.96830280
0.50939522 0.35612537 0.17920315
0.61763367 0.48382575 0.20443352
0.47111725 0.63244865 0.79182271
0.46268929 0.58107366 0.70227594
0.42054856 0.61786087 0.61662304
0.44608585 0.72874235 0.79225638
0.40992856 0.76881058 0.70439771
0.39350824 0.71371987 0.61822155
0.27562146 0.72692533 0.49094149
0.26145801 0.74953643 0.39074030
0.17438348 0.72954111 0.34360529
0.20682434 0.68010598 0.54243974
0.12071063 0.65968792 0.49463901
0.10374703 0.68636047 0.39618567
0.40378441 0.54444382 0.53374472
0.33958341 0.79786883 0.33866880
0.21193235 0.39682182 0.18755144
0.29840524 0.34327272 0.22606946
0.28899620 0.27613355 0.13531716
0.19757775 0.32673301 0.09935991
0.24433181 0.49230480 0.14530084
0.20877240 0.38933957 0.00987364
0.28681400 0.27847959 0.31360597
0.28608111 0.17412717 0.17686525
0.25548990 0.56216225 0.97547328
0.24957128 0.65539884 0.01192684
0.23832363 0.73656330 0.95157994
0.26120033 0.55107497 0.87342128
0.25534657 0.63209338 0.81341902
0.24165914 0.72554362 0.84815173
0.25362080 0.88929541 0.77947549
0.21199583 0.95355966 0.70998180
0.21467168 0.05169325 0.73482618
0.31562997 0.92692686 0.85366972
0.31922821 0.02547123 0.87553744
0.26378924 0.08723807 0.81980869
0.22084545 0.82178610 0.01589914
0.18526535 0.92835324 0.60384508
0.12750189 0.07997971 0.91214950
0.89490205 0.08446014 0.77640374
0.89238827 0.91007250 0.86371251
0.06634277 0.89559974 0.90269402
0.97784957 0.14216105 0.19135660
0.95038504 0.83183380 0.19101879
0.83729916 0.83939335 0.32302783
0.64340254 0.21897664 0.56248985
0.65178158 0.02813114 0.24852123
0.53529431 0.15458222 0.26510160
0.53680560 0.25637776 0.41394313
0.00816689 0.86619981 0.60911559
0.73955793 0.51169625 0.27415248
0.79164783 0.61559369 0.13844257
0.91020527 0.66524598 0.00618746
0.95391120 0.45882166 0.98491756
0.60814345 0.30529182 0.01427813
0.72243673 0.47120414 0.77767133
0.60103737 0.40366001 0.65950627
0.22311630 0.17462282 0.50886518
0.34849964 0.33819210 0.81581798
0.18847919 0.34912458 0.76438255
0.12234212 0.27613640 0.60174966
0.06048628 0.58763804 0.25653420
0.80074121 0.90166302 0.73326124
0.65350186 0.79418212 0.84665735
0.54286840 0.80937871 0.67851126
0.69838885 0.86927442 0.56763540
0.94075628 0.64023283 0.70207613
0.68851567 0.53504639 0.55169287
0.73938445 0.36524260 0.57399222
1.00548718 0.19013690 0.96994670
0.70824866 0.23994256 0.78002412
0.70946550 0.15742824 0.94242703
0.85594426 0.14046013 0.04365420
0.62261136 0.09118194 0.74787142
0.43797546 0.36168803 0.99882569
0.40550851 0.44146839 0.09674636
0.52163385 0.58886528 0.15320438
0.65956989 0.54729336 0.02731728
0.48480589 0.50796775 0.69842175
0.45647399 0.77124310 0.85998870
0.39329659 0.84487974 0.70116560
0.16284237 0.74809621 0.26569960
0.21757902 0.66892717 0.62151872
0.06508772 0.62707629 0.53570025
0.03386355 0.67550502 0.36304767
0.64609894 0.34914986 0.26276035
0.15744700 0.40546895 0.23874316
0.36039621 0.39059572 0.24042270
0.34206459 0.27944605 0.08257095
0.13613363 0.27821635 0.08977709
0.24802286 0.66528176 0.09101958
0.26965712 0.48103920 0.84003004
0.26199390 0.62295105 0.73470365
0.17812022 0.10064977 0.68506562
0.35370258 0.87761821 0.90204048
0.36114446 0.05179983 0.94027559
0.26107718 0.16329549 0.83932352
0.28575356 0.12490820 0.32496266
0.09782642 0.13041880 0.10729282
0.91468955 0.85882386 0.01889651
0.95522884 0.04196427 0.58227117
0.03602365 0.79631390 0.78818735
0.77762420 0.98652917 0.39629381
0.72633179 0.34536856 0.11732313
0.77984465 0.57432003 0.89578125
0.88648834 0.56815966 0.31550924
0.08701050 0.58630990 0.06698839
0.47675844 0.28378679 0.69144732
0.85982117 0.72571875 0.80286750
0.64132841 0.67726193 0.54366654
0.68248108 0.97978040 0.91756042
0.57769917 0.99152305 0.59021875
0.86005090 0.30817249 0.69234548
0.45315010 0.43289775 0.81348802
0.54473152 0.70092305 0.99827348
0.48404059 0.27063541 0.19257703
0.68881401 0.54080436 0.23344756
0.35881093 0.75934181 0.53525900
0.27223875 0.56325479 0.19419287
0.18932277 0.36594631 0.92392311
0.28415974 0.30611249 0.39892704
0.29357545 0.09786235 0.13342795
0.23048530 0.79180128 0.77180647
0.00856782 0.98444106 0.09131095
0.97476453 0.89556577 0.66468314
0.75174461 0.41870282 0.96338936
0.00461425 0.59332050 0.20731025
0.77249831 0.68722916 0.65423145
0.62167736 0.01030798 0.75755078
0.50280037 0.58294245 0.87802896
0.59928889 0.39455123 0.23039068
0.24500312 0.48251216 0.04100355
0.28132980 0.18334110 0.27920678
0.80072112 0.22742416 0.30176934
0.95127801 0.24293764 0.31335394
0.87932407 0.18491991 0.43809760
0.78678299 0.99175662 0.58021150
0.62181442 0.18108482 0.70883499
0.77823549 0.13254970 0.64551675
0.39056382 0.31931088 0.96511120
0.47468918 0.12568569 0.82568604
0.52314045 0.15015085 0.97987207
0.39008626 0.14502114 0.44821014
0.37050884 0.04816858 0.57336043
0.49005748 0.14885743 0.57572987
0.85716034 0.43936165 0.84582558
0.07308007 0.55325972 0.71997148
0.02963919 0.47018199 0.84314238
0.99918336 0.19451759 0.68616414
0.09296068 0.20129401 0.81891099
0.04787440 0.33381946 0.74314327
0.33623421 0.47761011 0.55746621
0.48182637 0.49329144 0.52241901
0.37864555 0.57999022 0.44371714
0.35392020 0.89360898 0.36541424
0.32167032 0.79573809 0.23935053
0.42219313 0.75555375 0.35669414
0.29785681 0.85011220 0.07249603
0.15270745 0.79744928 0.07965232
0.19139457 0.90185386 0.96927349
0.26160068 0.91008408 0.55540158
0.14295939 0.00134867 0.55361143
0.12831236 0.84652595 0.58799291
No title
1
14.515868 -0.319909 -0.460412
-0.318221 13.795445 -0.000068
-0.462488 0.003536 13.534915
C H O N F
110 60 25 10 30
Direct configuration= 65
0.07665427 0.04079231 0.95375424
0.92944507 0.01966602 0.75802671
0.95152700 0.94223676 0.82588110
0.02302384 0.95497739 0.92297413
0.06680714 0.06106336 0.05504644
0.97470880 0.92324317 0.01407102
0.95384331 -0.00421135 0.66050757
0.99187786 0.86620778 0.76031260
0.96395881 0.98734320 0.17932724
0.94537433 0.07635341 0.21978938
0.88660142 0.08191419 0.29641925
0.93098032 0.90063730 0.22023221
0.86911148 0.90498949 0.29303814
0.84324231 0.99431341 0.32723992
0.71115700 0.05323175 0.39622424
0.70756265 0.10766258 0.48481285
0.64836757 0.18578335 0.48990883
0.65027236 0.07033905 0.31620991
0.58687318 0.14241291 0.32498614
0.58852905 0.20227172 0.40915772
0.87897914 0.18283699 0.33763251
0.75805173 0.07904302 0.56870649
0.84575558 0.47283659 0.09374067
0.85506979 0.57598000 0.13610761
0.92064837 0.60141679 0.05349496
0.89691972 0.50191270 0.00662481
0.76999410 0.40507721 0.06802951
0.81693438 0.49903799 0.92565871
0.91379850 0.58016219 0.23224729
0.01439714 0.59642218 0.10532844
0.67710962 0.39215207 0.90528397
0.59285643 0.34435173 0.94539716
0.54214275 0.27911259 0.86749169
0.67043808 0.42013590 0.80304809
0.60387449 0.38176410 0.73684555
0.53448014 0.31374033 0.76586305
0.38183036 0.26472186 0.68372500
0.34525136 0.21185582 0.60074570
0.25150438 0.21606618 0.57256774
0.32303077 0.30743932 0.74546936
0.23087919 0.31328655 0.71431708
0.19484674 0.27158598 0.62572349
0.51405625 0.18852015 0.89030446
0.39969824 0.14037647 0.55006078
0.75181319 0.83875483 0.72801943
0.66492695 0.85043901 0.79107370
0.60708910 0.85185020 0.69155598
0.68843823 0.82531659 0.63344251
0.80264843 0.74711754 0.73804970
0.69366768 0.72238964 0.60300408
0.65835320 0.95261116 0.83315362
0.59616136 0.95821805 0.67275191
0.80690081 0.59603532 0.63810118
0.89630902 0.57964241 0.67354000
0.92304755 0.48373971 0.69406088
0.75388502 0.51980984 0.59120387
0.78275139 0.42592231 0.60389062
0.85770340 0.40419302 0.66864824
0.85628640 0.26728411 0.78751701
0.93913659 0.24205758 0.83534545
0.93993069 0.20236652 0.93046837
0.77339839 0.23625213 0.82494781
0.77422002 0.18780894 0.91573590
0.85686716 0.17550756 0.97135540
0.00798137 0.49464300 0.75250308
0.01945561 0.24233439 0.77316500
0.55328359 0.44391147 0.95933272
0.47596985 0.43512168 0.12589988
0.54571666 0.51851241 0.12994886
0.58459565 0.52994025 0.02440262
0.49884340 0.48054730 0.87916559
0.54304573 0.61755753 0.96834844
0.50930451 0.35628430 0.17935796
0.61758115 0.48398827 0.20459583
0.47123436 0.63252642 0.79183080
0.46290990 0.58113086 0.70226559
0.42070941 0.61784408 0.61658746
0.44607662 0.72879571 0.79225675
0.40990029 0.76881189 0.70436259
0.39354840 0.71367956 0.61817923
0.27564535 0.72683886 0.49084860
0.26144300 0.74952781 0.39065916
0.17433816 0.72962821 0.34354140
0.20687712 0.67995487 0.54233953
0.12072770 0.65964201 0.49455567
0.10371053 0.68645681 0.39614204
0.40394954 0.54440899 0.53368532
0.33954661 0.79788673 0.33857494
0.21189331 0.39682126 0.18765016
0.29833326 0.34322112 0.22615701
0.28890827 0.27608021 0.13536626
0.19747721 0.32670216 0.09945149
0.24434047 0.49231060 0.14539140
0.20863789 0.38928909 0.00990324
0.28662764 0.27842932 0.31372298
0.28599865 0.17406362 0.17690034
0.25545049 0.56210985 0.97551290
0.24956882 0.65536815 0.01197672
0.23838431 0.73654043 0.95162221
0.26119232 0.55100076 0.87345050
0.25539385 0.63201976 0.81343600
0.24173194 0.72550592 0.84817642
0.25370630 0.88929742 0.77955449
0.21207405 0.95357162 0.71006481
0.21476777 0.05172499 0.73491265
0.31569958 0.92693285 0.85378084
0.31928636 0.02548242 0.87568867
0.26387599 0.08727597 0.81993568
0.22102541 0.82183934 0.01594217
0.18524651 0.92830309 0.60394518
0.12735450 0.07989420 0.91212164
0.89490513 0.08438446 0.77639648
0.89235826 0.90991294 0.86363946
0.06628545 0.89543956 0.90268134
0.97786089 0.14208231 0.19141696
0.95031852 0.83171367 0.19112801
0.83722247 0.83936908 0.32312229
0.64336567 0.21925202 0.56232158
0.65177168 0.02805734 0.24847125
0.53527855 0.15455088 0.26492528
0.53680250 0.25652738 0.41368422
0.00800811 0.86602950 0.60896038
0.73949223 0.51183803 0.27436269
0.79163584 0.61561759 0.13862331
0.91017813 0.66534762 0.00638565
0.95385111 0.45889349 0.98492487
0.60809809 0.30532627 0.01437129
0.72236164 0.47119300 0.77768846
0.60096075 0.40359421 0.65950729
0.22310707 0.17454921 0.50875210
0.34847595 0.33826767 0.81573656
0.18849327 0.34939385 0.76412841
0.12239095 0.27629266 0.60147183
0.06044640 0.58751524 0.25673061
0.80068340 0.90163559 0.73315811
0.65350226 0.79412971 0.84657666
0.54284240 0.80924004 0.67840342
0.69828676 0.86928068 0.56749862
0.94079395 0.64027591 0.70179412
0.68847073 0.53488916 0.55163831
0.73942327 0.36508550 0.57397126
1.00569991 0.19027112 0.96998418
0.70848465 0.24001040 0.77990677
0.70968190 0.15761133 0.94237431
0.85613997 0.14067439 0.04367362
0.62255499 0.09114011 0.74782629
0.43791740 0.36181261 0.99903859
0.40544186 0.44166559 0.09689193
0.52162260 0.58903631 0.15327597
0.65961071 0.54731427 0.02749420
0.48516289 0.50805945 0.69841722
0.45639401 0.77131722 0.86000289
0.39320977 0.84487681 0.70110895
0.16275950 0.74825138 0.26564825
0.21768763 0.66863900 0.62140073
0.06512314 0.62699850 0.53561862
0.03380297 0.67572559 0.36303280
0.64596048 0.34929323 0.26300924
0.15744520 0.40552438 0.23887913
0.36033886 0.39050591 0.24058245
0.34195296 0.27941374 0.08259006
0.13602806 0.27818767 0.08991441
0.24800739 0.66526833 0.09107885
0.26963638 0.48093716 0.84006618
0.26206469 0.62285603 0.73471061
0.17822783 0.10069517 0.68514708
0.35377120 0.87761743 0.90216141
0.36116902 0.05180875 0.94047248
0.26117230 0.16334058 0.83946862
0.28550532 0.12481884 0.32500113
0.09780659 0.13027475 0.10734557
0.91474508 0.85861171 0.01893209
0.95497809 0.04180472 0.58214986
0.03604893 0.79617521 0.78807361
0.77757219 0.98656930 0.39635742
0.72624933 0.34551990 0.11741456
0.77969951 0.57445118 0.89597186
0.88644806 0.56801227 0.31567598
0.08699948 0.58648091 0.06715280
0.47672030 0.28370934 0.69146917
0.85979173 0.72563757 0.80275839
0.64141703 0.67723167 0.54325434
0.68253806 0.97979530 0.91744038
0.57748970 0.99144725 0.59010256
0.86034720 0.30813420 0.69220994
0.45313394 0.43299224 0.81353322
0.54498090 0.70107483 0.99827783
0.48391584 0.27079713 0.19276366
0.68875420 0.54093765 0.23363288
0.35883417 0.75925934 0.53518187
0.27232481 0.56321407 0.19425385
0.18916299 0.36590163 0.92399067
0.28388051 0.30605960 0.39894734
0.29357386 0.09778410 0.13345826
0.23058757 0.79177764 0.77183527
0.00852909 0.98429051 0.09134601
0.97463842 0.89539165 0.66457142
0.75173456 0.41871457 0.96343399
0.00457899 0.59320242 0.20749275
0.77249468 0.68718569 0.65402423
0.62161031 0.01025709 0.75745145
0.50290309 0.58304077 0.87806694
0.59919149 0.39468961 0.23058250
0.24491944 0.48246834 0.04106216
0.28113927 0.18326785 0.27924517
0.80069395 0.22742553 0.30191285
0.95123918 0.24296433 0.31335552
0.87941409 0.18494070 0.43819433
0.78650572 0.99183867 0.58032174
0.62180322 0.18112143 0.70891708
0.77811605 0.13270307 0.64553647
0.39054663 0.31945997 0.96520226
0.47473640 0.12561175 0.82570922
0.52316133 0.15010244 0.97992868
0.38992662 0.14485783 0.44810413
0.37072344 0.04806873 0.57340388
0.49009526 0.14900363 0.57546978
0.85704898 0.43961894 0.84572076
0.07312106 0.55328227 0.71993997
0.02960494 0.47013120 0.84303572
0.99955782 0.19419046 0.68630045
0.09330217 0.20164639 0.81908871
0.04789575 0.33381926 0.74279756
0.33627891 0.47767139 0.55731334
0.48192605 0.49311640 0.52246497
0.37896046 0.57998731 0.44361740
0.35388077 0.89363315 0.36536956
0.32160004 0.79578300 0.23924149
0.42215623 0.75556937 0.35656245
0.29815933 0.85029932 0.07229207
0.15309673 0.79753720 0.07994230
0.19136992 0.90182037 0.96929325
0.26152234 0.91010847 0.55536137
0.14278732 0.00124446 0.55373851
0.12836625 0.84639700 0.58821712
No title
1
14.516078 -0.319796 -0.460636
-0.318139 13.794941 -0.000362
-0.462727 0.003240 13.534351
C H O N F
110 60 25 10 30
Direct configuration= 66
0.07662192 0.04073525 0.95371511
0.92941819 0.01964036 0.75806786
0.95152812 0.94221920 0.82584642
0.02300715 0.95495862 0.92298098
0.06678940 0.06103259 0.05508985
0.97472824 0.92321742 0.01407121
0.95380870 -0.00426441 0.66045379
0.99188039 0.86614127 0.76030018
0.96395623 0.98731928 0.17933165
0.94536972 0.07633309 0.21980615
0.88659657 0.08191181 0.29643405
0.93096437 0.90060983 0.22025708
0.86909683 0.90498336 0.29306018
0.84323043 0.99430666 0.32725841
0.71114359 0.05324395 0.39622190
0.70752843 0.10770745 0.48478551
0.64835934 0.18582551 0.48986424
0.65026645 0.07034011 0.31619611
0.58686828 0.14241613 0.32494075
0.58853235 0.20230204 0.40911508
0.87898118 0.18283825 0.33765327
0.75802488 0.07907009 0.56873485
0.84573367 0.47282865 0.09375378
0.85506314 0.57598518 0.13614432
0.92064509 0.60143765 0.05353593
0.89690207 0.50193359 0.00663682
0.77000951 0.40512003 0.06803759
0.81691541 0.49906832 0.92567592
0.91379433 0.58013857 0.23228654
0.01438464 0.59643347 0.10537532
0.67710364 0.39216309 0.90529630
0.59284395 0.34435365 0.94541843
0.54212447 0.27910688 0.86750604
0.67041154 0.42012316 0.80306144
0.60386802 0.38176440 0.73684240
0.53446539 0.31371616 0.76588189
0.38182485 0.26470522 0.68371283
0.34524579 0.21183287 0.60073158
0.25150502 0.21605002 0.57253954
0.32302297 0.30745301 0.74545126
0.23088049 0.31332100 0.71426501
0.19485169 0.27160703 0.62567666
0.51405708 0.18851752 0.89031648
0.39970286 0.14035770 0.55003906
0.75180206 0.83874692 0.72798479
0.66491963 0.85042252 0.79104666
0.60707462 0.85182486 0.69152650
0.68842490 0.82530746 0.63340235
0.80265568 0.74709797 0.73802773
0.69364900 0.72235676 0.60290445
0.65834957 0.95260070 0.83312142
0.59612472 0.95820592 0.67270548
0.80690402 0.59601683 0.63804979
0.89631645 0.57964489 0.67348289
0.92307671 0.48374461 0.69402523
0.75388081 0.51978116 0.59118146
0.78275580 0.42589021 0.60387191
0.85773242 0.40418011 0.66861533
0.85634396 0.26729367 0.78748775
0.93920727 0.24207211 0.83534010
0.93998645 0.20239751 0.93046593
0.77346850 0.23627177 0.82492387
0.77427451 0.18784753 0.91571574
0.85692822 0.17554974 0.97135385
0.00796682 0.49464313 0.75245585
0.01952053 0.24233906 0.77316013
0.55328455 0.44393509 0.95934613
0.47595669 0.43516103 0.12592466
0.54571124 0.51855146 0.12997606
0.58460496 0.52995930 0.02442974
0.49885353 0.48056650 0.87918646
0.54308468 0.61759113 0.96836101
0.50927905 0.35632211 0.17940005
0.61755736 0.48401618 0.20463878
0.47126487 0.63255003 0.79183171
0.46296862 0.58114545 0.70226101
0.42075373 0.61783713 0.61657873
0.44607377 0.72880930 0.79225471
0.40989391 0.76881128 0.70435555
0.39355906 0.71367042 0.61816786
0.27565390 0.72681697 0.49082388
0.26144046 0.74952602 0.39063839
0.17432484 0.72965187 0.34352301
0.20689132 0.67991417 0.54231425
0.12073119 0.65962996 0.49453100
0.10370293 0.68648251 0.39613333
0.40399307 0.54440005 0.53367198
0.33953482 0.79789174 0.33855147
0.21188335 0.39682316 0.18767743
0.29831270 0.34320607 0.22618430
0.28888514 0.27606669 0.13537964
0.19745121 0.32669470 0.09947410
0.24433659 0.49229690 0.14540796
0.20860449 0.38927806 0.00992409
0.28658096 0.27838965 0.31365751
0.28597526 0.17405424 0.17691738
0.25544026 0.56209085 0.97552112
0.24956822 0.65536351 0.01199342
0.23840106 0.73653528 0.95163243
0.26119003 0.55098156 0.87346117
0.25540641 0.63200123 0.81343909
0.24175128 0.72549642 0.84818491
0.25372780 0.88929389 0.77957539
0.21209488 0.95357833 0.71008743
0.21479949 0.05173247 0.73494587
0.31571978 0.92692975 0.85381200
0.31930335 0.02549060 0.87573154
0.26389462 0.08727990 0.81996115
0.22107056 0.82185232 0.01595272
0.18523645 0.92828897 0.60396812
0.12731778 0.07987608 0.91211390
0.89491345 0.08435229 0.77638748
0.89233916 0.90986454 0.86362343
0.06627900 0.89538837 0.90267743
0.97786528 0.14206269 0.19143174
0.95030111 0.83168118 0.19115603
0.83720090 0.83935995 0.32314870
0.64335472 0.21932736 0.56227985
0.65176908 0.02803599 0.24845568
0.53527469 0.15454242 0.26487826
0.53679860 0.25656981 0.41361463
0.00796439 0.86598686 0.60892300
0.73947664 0.51187471 0.27442080
0.79163115 0.61562488 0.13867223
0.91017063 0.66537299 0.00643924
0.95384205 0.45890768 0.98492337
0.60808587 0.30533489 0.01439648
0.72234533 0.47119366 0.77769035
0.60094028 0.40357411 0.65951360
0.22310436 0.17452790 0.50872166
0.34846939 0.33828799 0.81571418
0.18849669 0.34946648 0.76406140
0.12240419 0.27633383 0.60139826
0.06043503 0.58748231 0.25678263
0.80066709 0.90162562 0.73313013
0.65350242 0.79411563 0.84655488
0.54283597 0.80920339 0.67837428
0.69825996 0.86928259 0.56746121
0.94080361 0.64028651 0.70171848
0.68845961 0.53484680 0.55162484
0.73943472 0.36504440 0.57396651
1.00575762 0.19030726 0.96999503
0.70854542 0.24002873 0.77987400
0.70974025 0.15765996 0.94236030
0.85619226 0.14073173 0.04367807
0.62253952 0.09112954 0.74781338
0.43790289 0.36184714 0.99909689
0.40542396 0.44171852 0.09693111
0.52161920 0.58908237 0.15329479
0.65962236 0.54732034 0.02754083
0.48525810 0.50808465 0.69841587
0.45637296 0.77133754 0.86000741
0.39318660 0.84487616 0.70109368
0.16273757 0.74829351 0.26563515
0.21771656 0.66856208 0.62136882
0.06513253 0.62697762 0.53559719
0.03378581 0.67578464 0.36302836
0.64592406 0.34933046 0.26307675
0.15744427 0.40553911 0.23891481
0.36032355 0.39048233 0.24062455
0.34192280 0.27940518 0.08259552
0.13599917 0.27817929 0.08995073
0.24800335 0.66526447 0.09109421
0.26963096 0.48090941 0.84007516
0.26208351 0.62283133 0.73471246
0.17825449 0.10070917 0.68516614
0.35378880 0.87761877 0.90219217
0.36117521 0.05181028 0.94052402
0.26119790 0.16335535 0.83950868
0.28543845 0.12479536 0.32500858
0.09780243 0.13023948 0.10735803
0.91472937 0.85852370 0.01894482
0.95490922 0.04176456 0.58211890
0.03604218 0.79615961 0.78803339
0.77756062 0.98657998 0.39637204
0.72621094 0.34553831 0.11745307
0.77966203 0.57447952 0.89602533
0.88643428 0.56797178 0.31572746
0.08699914 0.58652590 0.06719475
0.47670695 0.28368765 0.69147191
0.85976262 0.72562256 0.80270615
0.64146859 0.67724784 0.54317623
0.68255587 0.97980228 0.91741667
0.57743881 0.99141767 0.59009269
0.86042592 0.30812369 0.69217432
0.45312681 0.43301762 0.81354279
0.54504733 0.70111247 0.99827816
0.48388381 0.27084645 0.19281315
0.68874185 0.54097996 0.23368226
0.35883859 0.75923666 0.53515990
0.27235238 0.56321504 0.19427848
0.18911815 0.36588747 0.92399742
0.28380330 0.30607086 0.39903638
0.29357428 0.09775719 0.13346159
0.23061603 0.79177398 0.77184350
0.00851934 0.98425585 0.09135954
0.97460309 0.89535008 0.66454192
0.75171411 0.41871079 0.96343656
0.00456908 0.59317016 0.20754141
0.77249116 0.68717907 0.65396915
0.62159234 0.01024231 0.75742671
0.50293120 0.58306758 0.87807802
0.59916613 0.39473813 0.23063050
0.24489797 0.48245913 0.04107602
0.28108778 0.18324741 0.27926158
0.80068495 0.22742675 0.30194982
0.95122888 0.24297118 0.31335554
0.87943748 0.18494627 0.43821919
0.78643054 0.99186199 0.58034980
0.62180039 0.18113072 0.70893938
0.77808371 0.13274574 0.64553890
0.39054019 0.31949838 0.96522484
0.47474722 0.12559006 0.82571375
0.52316720 0.15008789 0.97994826
0.38988373 0.14481456 0.44807531
0.37078203 0.04804345 0.57341649
0.49010415 0.14904318 0.57539974
0.85701827 0.43968996 0.84569406
0.07314113 0.55329572 0.71992923
0.02960085 0.47011321 0.84302317
0.99965954 0.19410474 0.68633929
0.09339519 0.20173973 0.81913814
0.04790210 0.33382023 0.74270460
0.33629141 0.47768801 0.55727252
0.48195349 0.49306972 0.52247707
0.37904478 0.57998705 0.44358924
0.35387033 0.89364044 0.36535758
0.32158085 0.79579502 0.23921036
0.42214743 0.75557324 0.35652701
0.29824245 0.85035059 0.07223949
0.15320191 0.79756064 0.08002110
0.19136341 0.90181204 0.96929831
0.26150226 0.91011531 0.55535016
0.14274279 0.00121452 0.55377512
0.12838327 0.84636448 0.58827781
No title
1
14.516622 -0.319496 -0.461030
-0.317929 13.793436 -0.001291
-0.463193 0.002310 13.532445
C H O N F
110 60 25 10 30
Direct configuration= 67
0.07654178 0.04062469 0.95369145
0.92937190 0.01953051 0.75809388
0.95150741 0.94212774 0.82579313
0.02296929 0.95485970 0.92298123
0.06674270 0.06091847 0.05511741
0.97469651 0.92306024 0.01409064
0.95369980 -0.00440115 0.66034095
0.99184596 0.86603683 0.76022631
0.96393062 0.98723372 0.17937103
0.94536100 0.07627956 0.21984795
0.88658113 0.08189492 0.29647736
0.93092606 0.90054726 0.22031850
0.86905374 0.90495090 0.29312423
0.84319852 0.99430444 0.32731104
0.71110194 0.05328470 0.39621053
0.70748029 0.10779924 0.48477049
0.64833312 0.18596374 0.48976172
0.65024765 0.07033431 0.31614192
0.58685704 0.14243403 0.32482548
0.58851972 0.20239307 0.40896338
0.87898394 0.18284545 0.33771044
0.75790129 0.07917604 0.56873070
0.84569645 0.47283648 0.09379419
0.85504579 0.57599494 0.13625170
0.92062654 0.60148833 0.05365411
0.89686057 0.50198585 0.00667124
0.76998658 0.40516931 0.06808983
0.81686135 0.49915296 0.92572119
0.91376816 0.58006593 0.23242557
0.01437054 0.59646355 0.10550068
0.67705959 0.39217441 0.90533666
0.59281019 0.34436882 0.94547377
0.54207772 0.27909905 0.86755685
0.67036382 0.42011625 0.80308368
0.60382179 0.38173335 0.73685852
0.53443130 0.31366819 0.76590767
0.38179715 0.26466744 0.68369437
0.34523021 0.21175993 0.60068440
0.25150161 0.21600992 0.57246570
0.32300216 0.30747986 0.74537599
0.23088864 0.31342986 0.71413557
0.19486600 0.27165613 0.62552499
0.51405267 0.18848860 0.89035750
0.39971226 0.14030932 0.54997444
0.75176627 0.83871410 0.72788444
0.66489900 0.85037711 0.79096696
0.60703475 0.85175530 0.69143878
0.68838473 0.82527284 0.63328238
0.80262495 0.74705955 0.73790854
0.69367522 0.72234626 0.60271816
0.65834102 0.95257538 0.83303869
0.59603366 0.95814291 0.67263314
0.80691362 0.59597521 0.63790744
0.89634102 0.57965021 0.67331720
0.92312273 0.48374901 0.69389942
0.75386832 0.51969125 0.59111554
0.78277732 0.42580159 0.60382470
0.85781313 0.40415143 0.66851819
0.85654229 0.26731741 0.78741429
0.93938599 0.24212150 0.83530865
0.94016289 0.20248445 0.93046512
0.77364615 0.23632962 0.82484157
0.77445167 0.18795391 0.91567447
0.85708278 0.17567231 0.97134043
0.00798389 0.49465150 0.75237504
0.01971611 0.24235783 0.77315247
0.55329450 0.44399174 0.95939360
0.47591748 0.43527417 0.12599635
0.54569226 0.51865932 0.13005171
0.58463222 0.53001683 0.02450735
0.49887172 0.48062481 0.87922958
0.54319590 0.61767315 0.96839228
0.50920881 0.35644965 0.17951602
0.61750768 0.48412357 0.20476347
0.47135394 0.63261410 0.79183731
0.46313898 0.58118574 0.70225059
0.42087807 0.61782553 0.61655155
0.44606770 0.72884782 0.79225481
0.40987252 0.76881570 0.70432983
0.39359066 0.71363733 0.61813445
0.27567215 0.72674826 0.49076201
0.26142788 0.74952152 0.39057002
0.17429041 0.72971866 0.34347973
0.20693173 0.67980057 0.54222921
0.12074647 0.65959289 0.49447450
0.10367600 0.68655974 0.39609362
0.40411795 0.54437167 0.53363006
0.33950338 0.79790605 0.33848162
0.21185221 0.39682539 0.18775418
0.29825590 0.34316634 0.22624734
0.28881808 0.27602896 0.13541433
0.19737499 0.32667207 0.09954026
0.24433208 0.49227342 0.14545984
0.20851061 0.38924911 0.00998773
0.28643672 0.27836417 0.31378461
0.28591321 0.17397564 0.17692473
0.25540985 0.56205179 0.97555716
0.24956740 0.65533786 0.01203035
0.23844831 0.73652245 0.95166793
0.26118458 0.55091934 0.87348277
0.25544181 0.63195366 0.81345216
0.24180775 0.72546337 0.84820385
0.25378963 0.88929179 0.77963321
0.21215705 0.95358656 0.71015462
0.21487247 0.05175965 0.73501251
0.31577653 0.92693344 0.85390110
0.31934605 0.02550172 0.87584414
0.26396260 0.08730622 0.82006031
0.22120627 0.82188868 0.01598612
0.18521446 0.92825074 0.60403967
0.12720911 0.07981873 0.91208904
0.89491636 0.08429487 0.77637807
0.89230744 0.90973734 0.86357023
0.06624490 0.89525782 0.90266839
0.97787483 0.14200337 0.19147670
0.95025039 0.83158581 0.19123639
0.83714132 0.83933868 0.32322233
0.64332474 0.21953725 0.56214747
0.65176167 0.02797846 0.24841766
0.53526276 0.15451860 0.26474108
0.53679364 0.25668583 0.41341533
0.00783929 0.86586215 0.60881139
0.73942970 0.51198116 0.27458529
0.79161794 0.61564503 0.13881255
0.91014918 0.66544932 0.00659164
0.95380750 0.45895490 0.98492276
0.60805183 0.30535924 0.01447067
0.72228625 0.47118347 0.77770291
0.60088247 0.40352125 0.65951710
0.22309665 0.17446605 0.50863402
0.34845297 0.33835048 0.81565789
0.18850912 0.34967229 0.76386387
0.12244332 0.27645252 0.60118782
0.06040396 0.58738733 0.25693333
0.80062210 0.90159986 0.73304977
0.65350295 0.79407491 0.84649218
0.54281677 0.80909748 0.67829035
0.69818316 0.86928708 0.56735458
0.94083114 0.64031762 0.70150082
0.68842655 0.53472438 0.55158572
0.73946512 0.36492327 0.57395106
1.00591873 0.19041158 0.97002341
0.70872798 0.24008105 0.77978571
0.70990452 0.15779861 0.94231998
0.85634324 0.14089594 0.04369283
0.62249505 0.09109691 0.74777809
0.43785948 0.36194522 0.99926310
0.40537331 0.44187057 0.09704368
0.52160979 0.58921496 0.15334898
0.65965497 0.54733697 0.02767466
0.48553165 0.50815716 0.69841282
0.45631225 0.77139485 0.86001830
0.39312069 0.84487175 0.70105005
0.16267390 0.74841533 0.26559488
0.21780001 0.66834039 0.62128055
0.06516051 0.62691836 0.53553382
0.03373977 0.67595466 0.36301769
0.64581915 0.34943991 0.26326957
0.15744181 0.40558125 0.23901769
0.36027900 0.39041401 0.24074679
0.34183639 0.27938012 0.08261054
0.13591731 0.27815705 0.09005493
0.24799178 0.66525411 0.09114281
0.26961480 0.48083366 0.84010266
0.26213753 0.62276034 0.73471757
0.17833715 0.10074240 0.68522960
0.35384180 0.87761939 0.90228329
0.36119578 0.05181727 0.94067595
0.26127070 0.16339014 0.83962006
0.28524668 0.12472719 0.32503706
0.09779664 0.13015255 0.10741035
0.91476513 0.85835599 0.01897191
0.95471234 0.04164222 0.58203773
0.03605896 0.79605391 0.78794409
0.77752717 0.98660694 0.39641715
0.72613536 0.34563791 0.11752935
0.77955077 0.57456885 0.89617610
0.88640382 0.56785946 0.31585077
0.08698099 0.58665697 0.06732450
0.47667917 0.28362796 0.69148800
0.85972111 0.72556432 0.80260271
0.64154186 0.67722790 0.54286679
0.68260393 0.97981801 0.91733656
0.57728083 0.99135600 0.59001156
0.86064955 0.30809159 0.69207129
0.45311232 0.43309208 0.81357557
0.54523818 0.70123442 0.99828393
0.48378721 0.27097151 0.19295827
0.68869793 0.54109137 0.23382190
0.35885489 0.75917328 0.53509852
0.27242654 0.56320594 0.19434219
0.18898922 0.36584536 0.92401308
0.28359078 0.30602048 0.39902002
0.29357052 0.09772278 0.13349797
0.23069581 0.79175997 0.77186825
0.00849598 0.98415533 0.09139137
0.97450305 0.89522616 0.66445787
0.75168548 0.41871338 0.96345667
0.00454033 0.59307758 0.20767825
0.77248549 0.68714803 0.65380918
0.62154002 0.01020282 0.75735142
0.50301100 0.58314618 0.87810862
0.59909110 0.39485811 0.23077452
0.24483479 0.48242804 0.04111696
0.28094020 0.18319127 0.27928875
0.80066191 0.22742841 0.30205683
0.95119933 0.24299009 0.31335613
0.87950471 0.18496183 0.43829126
0.78622227 0.99190885 0.58043807
0.62179298 0.18115784 0.70900315
0.77800026 0.13288208 0.64557287
0.39052332 0.31960989 0.96529170
0.47478078 0.12553320 0.82573139
0.52318391 0.15005100 0.97999678
0.38976079 0.14468881 0.44799450
0.37094997 0.04796886 0.57345366
0.49013180 0.14915579 0.57519926
0.85693020 0.43989272 0.84561643
0.07318080 0.55332185 0.71990469
0.02957777 0.47007025 0.84294499
0.99994996 0.19385631 0.68644910
0.09366078 0.20200585 0.81927896
0.04791822 0.33381862 0.74243893
0.33632853 0.47773744 0.55715516
0.48203215 0.49293629 0.52251247
0.37928732 0.57998571 0.44351120
0.35384003 0.89366098 0.36532293
0.32152521 0.79582993 0.23912367
0.42212037 0.75558538 0.35642474
0.29847788 0.85049718 0.07208631
0.15350432 0.79762848 0.08024607
0.19134297 0.90178910 0.96931234
0.26144289 0.91013535 0.55531910
0.14261263 0.00113066 0.55387811
0.12843001 0.84626860 0.58845189
No title
1
14.516979 -0.319309 -0.461295
-0.317804 13.792378 -0.001967
-0.463510 0.001635 13.531093
C H O N F
110 60 25 10 30
Direct configuration= 68
0.07650138 0.04058469 0.95371998
0.92935532 0.01945509 0.75800999
0.95147750 0.94202787 0.82579737
0.02293632 0.95474549 0.92296754
0.06672239 0.06085768 0.05512160
0.97468914 0.92297493 0.01410336
0.95360579 -0.00447623 0.66034299
0.99182640 0.86596801 0.76017235
0.96390872 0.98718046 0.17940925
0.94535405 0.07624214 0.21987725
0.88657352 0.08188413 0.29650479
0.93089960 0.90049927 0.22035963
0.86902495 0.90492773 0.29316780
0.84317858 0.99430153 0.32734507
0.71107560 0.05330942 0.39620155
0.70744638 0.10786190 0.48475316
0.64831193 0.18606293 0.48969123
0.65023593 0.07032594 0.31610028
0.58684852 0.14244810 0.32474731
0.58850668 0.20246011 0.40885757
0.87898310 0.18285066 0.33774567
0.75782633 0.07924706 0.56875177
0.84569209 0.47286606 0.09382690
0.85503266 0.57599623 0.13632933
0.92060750 0.60151427 0.05373452
0.89684100 0.50201656 0.00669827
0.76993963 0.40517452 0.06812582
0.81682090 0.49920794 0.92574825
0.91375072 0.58001629 0.23250654
0.01434509 0.59648517 0.10559495
0.67702241 0.39217590 0.90536491
0.59278488 0.34438151 0.94551267
0.54204778 0.27909719 0.86759570
0.67033474 0.42011818 0.80309136
0.60378115 0.38169995 0.73688178
0.53441418 0.31364595 0.76591678
0.38177878 0.26463444 0.68367129
0.34522289 0.21171414 0.60065975
0.25149851 0.21597694 0.57240829
0.32298872 0.30750396 0.74533407
0.23089100 0.31350082 0.71403660
0.19487776 0.27169602 0.62542985
0.51404717 0.18846117 0.89038930
0.39971894 0.14027618 0.54992799
0.75173931 0.83868675 0.72781429
0.66488476 0.85034528 0.79091154
0.60700820 0.85170728 0.69137804
0.68835760 0.82525119 0.63319856
0.80259981 0.74703234 0.73782145
0.69368281 0.72232651 0.60257597
0.65833836 0.95256295 0.83299375
0.59597001 0.95810102 0.67257927
0.80691885 0.59594757 0.63780835
0.89635898 0.57964835 0.67320181
0.92314346 0.48375328 0.69380553
0.75386245 0.51962520 0.59107167
0.78279465 0.42574278 0.60379461
0.85786751 0.40413265 0.66844976
0.85667732 0.26733270 0.78736627
0.93950916 0.24215513 0.83528728
0.94028030 0.20254444 0.93046277
0.77377160 0.23637071 0.82478282
0.77457062 0.18802751 0.91564552
0.85719554 0.17575759 0.97133144
0.00801934 0.49466257 0.75233405
0.01985664 0.24237273 0.77315268
0.55330681 0.44402226 0.95943324
0.47588835 0.43535792 0.12604378
0.54567650 0.51873112 0.13010276
0.58465117 0.53005853 0.02455932
0.49887728 0.48067062 0.87924816
0.54327259 0.61773968 0.96841675
0.50915967 0.35653040 0.17959935
0.61748272 0.48421220 0.20485050
0.47141702 0.63265454 0.79184242
0.46325673 0.58121633 0.70224499
0.42096387 0.61781845 0.61653279
0.44606339 0.72887656 0.79225481
0.40985768 0.76881721 0.70431040
0.39361305 0.71361452 0.61811171
0.27568448 0.72670237 0.49071271
0.26141880 0.74951709 0.39052769
0.17426789 0.72976660 0.34344744
0.20695990 0.67972068 0.54217566
0.12075666 0.65956856 0.49443098
0.10365562 0.68661179 0.39607002
0.40420610 0.54435389 0.53359849
0.33948413 0.79791652 0.33843107
0.21183200 0.39682541 0.18780456
0.29821648 0.34313759 0.22629676
0.28877030 0.27600003 0.13544169
0.19732130 0.32665653 0.09958794
0.24433640 0.49227831 0.14551063
0.20843809 0.38922083 0.00999514
0.28634040 0.27831247 0.31375745
0.28586602 0.17397602 0.17696450
0.25538911 0.56202587 0.97557975
0.24956677 0.65532081 0.01205652
0.23848166 0.73651056 0.95169283
0.26118040 0.55088124 0.87349717
0.25546695 0.63191527 0.81346280
0.24184691 0.72544424 0.84821865
0.25383627 0.88929487 0.77967759
0.21219875 0.95358986 0.71019814
0.21492061 0.05177843 0.73505454
0.31581236 0.92693831 0.85395852
0.31937673 0.02550553 0.87592270
0.26401082 0.08732880 0.82013218
0.22130358 0.82191674 0.01601149
0.18520724 0.92822517 0.60409558
0.12713199 0.07977674 0.91206842
0.89491239 0.08426177 0.77637978
0.89230224 0.90965618 0.86352822
0.06621151 0.89517942 0.90266150
0.97788073 0.14196086 0.19150859
0.95021430 0.83152187 0.19129294
0.83710116 0.83932531 0.32327237
0.64330395 0.21968224 0.56205539
0.65175676 0.02793986 0.24839400
0.53525434 0.15450252 0.26464528
0.53679313 0.25676295 0.41327699
0.00775411 0.86577211 0.60873181
0.73939237 0.51205755 0.27469499
0.79161045 0.61565770 0.13890901
0.91013440 0.66550399 0.00669652
0.95377497 0.45899359 0.98492572
0.60802840 0.30537769 0.01452038
0.72224377 0.47117464 0.77771304
0.60084321 0.40348632 0.65951353
0.22309287 0.17442420 0.50857710
0.34844056 0.33839275 0.81561514
0.18851705 0.34981601 0.76372872
0.12246971 0.27653413 0.60104192
0.06038225 0.58732119 0.25703721
0.80059283 0.90158444 0.73299369
0.65350359 0.79404702 0.84644802
0.54280334 0.80902405 0.67823193
0.69813012 0.86928961 0.56728114
0.94085093 0.64034003 0.70135083
0.68840195 0.53464025 0.55155828
0.73948602 0.36483872 0.57394025
1.00603201 0.19048415 0.97004460
0.70885452 0.24011729 0.77972517
0.71001888 0.15789459 0.94229174
0.85644727 0.14100963 0.04370342
0.62246399 0.09107494 0.74775344
0.43782637 0.36201079 0.99937644
0.40534005 0.44197537 0.09712249
0.52160359 0.58930619 0.15338593
0.65967677 0.54734767 0.02776647
0.48572166 0.50820601 0.69841117
0.45627048 0.77143388 0.86002526
0.39307506 0.84486935 0.70101972
0.16263003 0.74849999 0.26556871
0.21785751 0.66818703 0.62121707
0.06517965 0.62687692 0.53549052
0.03370883 0.67607281 0.36301062
0.64574664 0.34951642 0.26340305
0.15743852 0.40561080 0.23908929
0.36024723 0.39036647 0.24083023
0.34177784 0.27936361 0.08261976
0.13586136 0.27814294 0.09012615
0.24798405 0.66524621 0.09117644
0.26960355 0.48078081 0.84012135
0.26217465 0.62271238 0.73472203
0.17839531 0.10076452 0.68527501
0.35388013 0.87761850 0.90234765
0.36120998 0.05182223 0.94078019
0.26132098 0.16341237 0.83969646
0.28511366 0.12468014 0.32505486
0.09778176 0.13006848 0.10742862
0.91478145 0.85822953 0.01899054
0.95457812 0.04155854 0.58197006
0.03606356 0.79598810 0.78788024
0.77749864 0.98662823 0.39645132
0.72609181 0.34571932 0.11757569
0.77946993 0.57463877 0.89627892
0.88638038 0.56778024 0.31594610
0.08698315 0.58674625 0.06740697
0.47666033 0.28358659 0.69150160
0.85969509 0.72552312 0.80253410
0.64160368 0.67722371 0.54266512
0.68263478 0.97982445 0.91726871
0.57717183 0.99131194 0.58995828
0.86080411 0.30807053 0.69199903
0.45310530 0.43314376 0.81360061
0.54537012 0.70131048 0.99828499
0.48372189 0.27106214 0.19305860
0.68866646 0.54116114 0.23392063
0.35886786 0.75912894 0.53505775
0.27247008 0.56318082 0.19437338
0.18890804 0.36582539 0.92405576
0.28344033 0.30601535 0.39910577
0.29357190 0.09765394 0.13349631
0.23074977 0.79174734 0.77188518
0.00847639 0.98407673 0.09141174
0.97443678 0.89513319 0.66439222
0.75168255 0.41872090 0.96347983
0.00452115 0.59301289 0.20777564
0.77248270 0.68712814 0.65370121
0.62150346 0.01017395 0.75729921
0.50306602 0.58319921 0.87812932
0.59903719 0.39493310 0.23087576
0.24479042 0.48240474 0.04114803
0.28083702 0.18315129 0.27931145
0.80064803 0.22742827 0.30213196
0.95117932 0.24300257 0.31335706
0.87955099 0.18497266 0.43834276
0.78607522 0.99195227 0.58049799
0.62178783 0.18117636 0.70904803
0.77793988 0.13296697 0.64558014
0.39051435 0.31968941 0.96533945
0.47480458 0.12549642 0.82574601
0.52319535 0.15002802 0.98002686
0.38967509 0.14460050 0.44794043
0.37106713 0.04791600 0.57348069
0.49015195 0.14923379 0.57506081
0.85687066 0.44003264 0.84556020
0.07319795 0.55333400 0.71989161
0.02955811 0.47004136 0.84287971
1.00015071 0.19368198 0.68652255
0.09384023 0.20219160 0.81937297
0.04792922 0.33381409 0.74225584
0.33635340 0.47777090 0.55707421
0.48208620 0.49284415 0.52253774
0.37945631 0.57998342 0.44345886
0.35381845 0.89367440 0.36529834
0.32148637 0.79585470 0.23906629
0.42209997 0.75559481 0.35635292
0.29863748 0.85059822 0.07197735
0.15371466 0.79767617 0.08040323
0.19132874 0.90177126 0.96932319
0.26140042 0.91015000 0.55529786
0.14251884 0.00107516 0.55394745
0.12845941 0.84619990 0.58857175
No title
1
14.517471 -0.318992 -0.461699
-0.317576 13.790883 -0.002920
-0.463982 0.000681 13.529239
C H O N F
110 60 25 10 30
Direct configuration= 69
0.07643683 0.04049320 0.95370459
0.92930237 0.01939130 0.75796143
0.95146019 0.94191563 0.82576213
0.02288067 0.95462862 0.92296287
0.06668462 0.06077033 0.05516599
0.97468684 0.92285754 0.01411617
0.95348328 -0.00457355 0.66028529
0.99180414 0.86584657 0.76010569
0.96388943 0.98711241 0.17944515
0.94534273 0.07619259 0.21992117
0.88656246 0.08187620 0.29654440
0.93085640 0.90042237 0.22042439
0.86898624 0.90490412 0.29322718
0.84315094 0.99428590 0.32739100
0.71104126 0.05333842 0.39619049
0.70737041 0.10797301 0.48469602
0.64828363 0.18618528 0.48957346
0.65021907 0.07032350 0.31605528
0.58683562 0.14245961 0.32462900
0.58850444 0.20254931 0.40873228
0.87898410 0.18285415 0.33779613
0.75775087 0.07932533 0.56882711
0.84567404 0.47288744 0.09386893
0.85500877 0.57600172 0.13643544
0.92058277 0.60155299 0.05384043
0.89681199 0.50206479 0.00674116
0.76991943 0.40523322 0.06814977
0.81675841 0.49928839 0.92578381
0.91372516 0.57994609 0.23263039
0.01433034 0.59651104 0.10571411
0.67699546 0.39219626 0.90539792
0.59274663 0.34438919 0.94557256
0.54200249 0.27908926 0.86764043
0.67027082 0.42009502 0.80311910
0.60374769 0.38168140 0.73688534
0.53438094 0.31359513 0.76595395
0.38176057 0.26458593 0.68363442
0.34521218 0.21165234 0.60062835
0.25149745 0.21592872 0.57232802
0.32296954 0.30754372 0.74528781
0.23089251 0.31359369 0.71389236
0.19489408 0.27175516 0.62530699
0.51404494 0.18844167 0.89042765
0.39972907 0.14022890 0.54986555
0.75170588 0.83865283 0.72771797
0.66486534 0.85030161 0.79083547
0.60697043 0.85164090 0.69129438
0.68832056 0.82521875 0.63308294
0.80256884 0.74699446 0.73770632
0.69369131 0.72229907 0.60237874
0.65832848 0.95253694 0.83290843
0.59588115 0.95804713 0.67249741
0.80692242 0.59590858 0.63766972
0.89638298 0.57964544 0.67304383
0.92320820 0.48376813 0.69369995
0.75385378 0.51954157 0.59101270
0.78281035 0.42565505 0.60374782
0.85794365 0.40409899 0.66835741
0.85683999 0.26735742 0.78729186
0.93969619 0.24219618 0.83526780
0.94043344 0.20262798 0.93045555
0.77396002 0.23642499 0.82471289
0.77472225 0.18813257 0.91559408
0.85736293 0.17587362 0.97132448
0.00801738 0.49467205 0.75222624
0.02004381 0.24238653 0.77314961
0.55331945 0.44407140 0.95948159
0.47585147 0.43546887 0.12611099
0.54565777 0.51883473 0.13017387
0.58467695 0.53011525 0.02463103
0.49889453 0.48073800 0.87928797
0.54337787 0.61782279 0.96844830
0.50909359 0.35664606 0.17971417
0.61743292 0.48431192 0.20496842
0.47150228 0.63271402 0.79184749
0.46341765 0.58125896 0.70223700
0.42108401 0.61780267 0.61650848
0.44605663 0.72891477 0.79225000
0.40983967 0.76881473 0.70428732
0.39364304 0.71358820 0.61808058
0.27570475 0.72664155 0.49064219
0.26141128 0.74951222 0.39047341
0.17423205 0.72983286 0.34339849
0.20699937 0.67960980 0.54210723
0.12076722 0.65953634 0.49436327
0.10363281 0.68668279 0.39604591
0.40432832 0.54433036 0.53355684
0.33945490 0.79793121 0.33836292
0.21180147 0.39682700 0.18787587
0.29816226 0.34310155 0.22635964
0.28870658 0.27596492 0.13547570
0.19724834 0.32663664 0.09965107
0.24433183 0.49225728 0.14556222
0.20834774 0.38919219 0.01004513
0.28620404 0.27827540 0.31382739
0.28580828 0.17388346 0.17696372
0.25536125 0.56198000 0.97560377
0.24956587 0.65530447 0.01210191
0.23852854 0.73649388 0.95172392
0.26117399 0.55083157 0.87352399
0.25550173 0.63186187 0.81347431
0.24190049 0.72542111 0.84824330
0.25389817 0.88929355 0.77973718
0.21225525 0.95360480 0.71025886
0.21500132 0.05179753 0.73513562
0.31586559 0.92693435 0.85404107
0.31942381 0.02552207 0.87603879
0.26406589 0.08734584 0.82021068
0.22143478 0.82195818 0.01604549
0.18519098 0.92818751 0.60416842
0.12702885 0.07972491 0.91203752
0.89492926 0.08417694 0.77636661
0.89227218 0.90953151 0.86348012
0.06618025 0.89505619 0.90264815
0.97788945 0.14190231 0.19155155
0.95016479 0.83143530 0.19136926
0.83704547 0.83930470 0.32334187
0.64327361 0.21988669 0.56193841
0.65175023 0.02788249 0.24835532
0.53524434 0.15448014 0.26451496
0.53678666 0.25687359 0.41308579
0.00764118 0.86564836 0.60861747
0.73934400 0.51216131 0.27484840
0.79160177 0.61567401 0.13904171
0.91011408 0.66557640 0.00684336
0.95373231 0.45904453 0.98492816
0.60799562 0.30540510 0.01458557
0.72219704 0.47117391 0.77771980
0.60078921 0.40343250 0.65952370
0.22308811 0.17436562 0.50850071
0.34842234 0.33844971 0.81555183
0.18852701 0.35001515 0.76354463
0.12250605 0.27664530 0.60084161
0.06035223 0.58722993 0.25718031
0.80055178 0.90156049 0.73291543
0.65350443 0.79400853 0.84638642
0.54278565 0.80892372 0.67815121
0.69805817 0.86929379 0.56717852
0.94087750 0.64036888 0.70114438
0.68836965 0.53452332 0.55152229
0.73951826 0.36472602 0.57392786
1.00619004 0.19058499 0.97007511
0.70902317 0.24016761 0.77963815
0.71017786 0.15802659 0.94225278
0.85658983 0.14116624 0.04371703
0.62242078 0.09104397 0.74771895
0.43778161 0.36210224 0.99953357
0.40529250 0.44212021 0.09723035
0.52159506 0.58943037 0.15343544
0.65970681 0.54736248 0.02789144
0.48598290 0.50827363 0.69840850
0.45621358 0.77148831 0.86003575
0.39301191 0.84486780 0.70097744
0.16257043 0.74861729 0.26553511
0.21793635 0.66797644 0.62112807
0.06520601 0.62681972 0.53543157
0.03366371 0.67623541 0.36299969
0.64564671 0.34962117 0.26358748
0.15743450 0.40565092 0.23918616
0.36020293 0.39030101 0.24094488
0.34169595 0.27934004 0.08263346
0.13578347 0.27812295 0.09022373
0.24797362 0.66523462 0.09121924
0.26958835 0.48070737 0.84014582
0.26222534 0.62264792 0.73472955
0.17846999 0.10080090 0.68533037
0.35393092 0.87762068 0.90243277
0.36122778 0.05182669 0.94091990
0.26139062 0.16344971 0.83980448
0.28493016 0.12461529 0.32507887
0.09776632 0.12996698 0.10746011
0.91479571 0.85804892 0.01901864
0.95439077 0.04143073 0.58190454
0.03606264 0.79590900 0.78778592
0.77745997 0.98665892 0.39649700
0.72600604 0.34579546 0.11766555
0.77936131 0.57472927 0.89642349
0.88634931 0.56767217 0.31606922
0.08696648 0.58687081 0.06753048
0.47662930 0.28352892 0.69151447
0.85965573 0.72546633 0.80243595
0.64169049 0.67721853 0.54239032
0.68268306 0.97983970 0.91719485
0.57702344 0.99124868 0.58989143
0.86101768 0.30804243 0.69189876
0.45308954 0.43321168 0.81362809
0.54555060 0.70142071 0.99828890
0.48363188 0.27118430 0.19319646
0.68862872 0.54126752 0.23405649
0.35888406 0.75906663 0.53500063
0.27253821 0.56316872 0.19443173
0.18879014 0.36579050 0.92408009
0.28323730 0.30597946 0.39913288
0.29356585 0.09763943 0.13353933
0.23082548 0.79173312 0.77191015
0.00844519 0.98396982 0.09144273
0.97434196 0.89500829 0.66432101
0.75165941 0.41872081 0.96350473
0.00449264 0.59292413 0.20790769
0.77247828 0.68709699 0.65355087
0.62145286 0.01013540 0.75722862
0.50314131 0.58327025 0.87815649
0.59896728 0.39505039 0.23100998
0.24473087 0.48237739 0.04118945
0.28069476 0.18309897 0.27933926
0.80062735 0.22742909 0.30223371
0.95115200 0.24301908 0.31335801
0.87961295 0.18498733 0.43841254
0.78586756 0.99203178 0.58057566
0.62178167 0.18120195 0.70910945
0.77785320 0.13307817 0.64557309
0.39049991 0.31979751 0.96540420
0.47483416 0.12544358 0.82576423
0.52321134 0.14999274 0.98007699
0.38955641 0.14447742 0.44786546
0.37122924 0.04784409 0.57351914
0.49017954 0.14934085 0.57487114
0.85678993 0.44022586 0.84548238
0.07323537 0.55336264 0.71987018
0.02954101 0.46999211 0.84282536
1.00042825 0.19344595 0.68662828
0.09408889 0.20244656 0.81950419
0.04794683 0.33381035 0.74200468
0.33638922 0.47781816 0.55696295
0.48216248 0.49271651 0.52257305
0.37968932 0.57998064 0.44338578
0.35378859 0.89369372 0.36526449
0.32143199 0.79588933 0.23898451
0.42207261 0.75560775 0.35625306
0.29886066 0.85073857 0.07183097
0.15400649 0.79774322 0.08062141
0.19131034 0.90174460 0.96933934
0.26134317 0.91017125 0.55526833
0.14239156 0.00099651 0.55404575
0.12850142 0.84610646 0.58873686
No title
1
14.518653 -0.318263 -0.462736
-0.317051 13.787469 -0.005009
-0.465166 -0.001414 13.525003
C H O N F
110 60 25 10 30
Direct configuration= 70
0.07625775 0.04024384 0.95366201
0.92918556 0.01915726 0.75795798
0.95141695 0.94169185 0.82563045
0.02276200 0.95438131 0.92295122
0.06657572 0.06050408 0.05521902
0.97464328 0.92252332 0.01415247
0.95320136 -0.00485412 0.66007695
0.99172158 0.86558211 0.75993336
0.96383022 0.98690914 0.17954198
0.94532040 0.07607505 0.22002417
0.88652578 0.08183836 0.29664976
0.93076203 0.90026962 0.22057094
0.86888402 0.90482247 0.29337929
0.84308110 0.99427713 0.32750962
0.71094595 0.05342758 0.39616608
0.70726042 0.10819262 0.48465719
0.64821891 0.18650645 0.48933086
0.65017372 0.07030904 0.31592550
0.58680980 0.14249893 0.32435981
0.58847187 0.20276701 0.40837426
0.87898837 0.18286769 0.33792366
0.75745866 0.07957326 0.56881488
0.84560893 0.47291641 0.09396445
0.85495986 0.57601985 0.13669561
0.92053235 0.60165907 0.05410796
0.89672972 0.50219026 0.00684008
0.76985177 0.40534585 0.06825319
0.81661528 0.49948632 0.92587897
0.91366778 0.57977345 0.23293478
0.01426069 0.59657774 0.10601974
0.67690139 0.39222663 0.90549250
0.59266212 0.34442193 0.94570469
0.54189413 0.27907398 0.86776070
0.67015683 0.42007661 0.80317432
0.60363770 0.38160614 0.73691281
0.53430115 0.31348335 0.76601935
0.38169984 0.26450095 0.68359929
0.34517427 0.21147726 0.60051948
0.25149384 0.21583508 0.57216403
0.32292004 0.30760888 0.74510848
0.23091482 0.31385129 0.71359481
0.19492953 0.27186760 0.62495025
0.51403520 0.18838113 0.89052759
0.39975527 0.14011326 0.54971672
0.75162298 0.83857588 0.72747741
0.66481671 0.85019286 0.79064472
0.60687750 0.85147617 0.69108591
0.68822908 0.82514146 0.63279779
0.80253831 0.74687952 0.73746779
0.69371658 0.72223033 0.60189308
0.65831287 0.95247864 0.83272441
0.59566137 0.95791014 0.67230042
0.80694571 0.59580229 0.63733228
0.89643884 0.57965514 0.67265193
0.92332729 0.48378128 0.69341341
0.75382425 0.51933391 0.59086200
0.78286346 0.42544430 0.60364124
0.85813396 0.40403065 0.66812866
0.85730625 0.26741395 0.78712110
0.94011380 0.24231338 0.83519217
0.94084971 0.20283201 0.93045255
0.77437416 0.23655981 0.82451890
0.77514172 0.18838339 0.91549973
0.85772425 0.17616074 0.97129168
0.00805826 0.49468847 0.75202773
0.02050575 0.24242213 0.77313865
0.55334686 0.44419765 0.95959436
0.47576047 0.43573938 0.12627654
0.54561362 0.51908942 0.13034762
0.58474140 0.53025388 0.02481070
0.49893420 0.48088358 0.87938105
0.54363878 0.61802311 0.96852563
0.50892926 0.35693336 0.17999617
0.61731560 0.48456488 0.20526003
0.47171152 0.63286725 0.79186029
0.46381819 0.58135326 0.70221481
0.42137762 0.61777505 0.61644754
0.44604475 0.72900336 0.79224836
0.40979120 0.76882458 0.70422698
0.39371843 0.71350923 0.61799855
0.27574840 0.72647863 0.49049884
0.26138157 0.74950453 0.39031158
0.17415142 0.72999341 0.34330190
0.20709369 0.67934272 0.54190492
0.12080466 0.65944969 0.49423200
0.10356990 0.68686794 0.39595366
0.40462876 0.54426867 0.53345772
0.33938076 0.79796681 0.33819924
0.21172678 0.39683277 0.18805236
0.29802445 0.34300608 0.22651900
0.28854762 0.27587028 0.13555919
0.19706952 0.32658622 0.09980333
0.24431709 0.49220012 0.14568623
0.20812669 0.38912330 0.01018381
0.28587141 0.27813822 0.31385958
0.28564959 0.17383981 0.17706401
0.25529105 0.56188988 0.97569108
0.24956609 0.65524306 0.01219229
0.23864355 0.73646352 0.95181556
0.26116116 0.55068769 0.87357405
0.25558451 0.63175416 0.81350971
0.24203560 0.72534619 0.84829199
0.25404227 0.88928955 0.77987201
0.21240222 0.95362450 0.71042052
0.21517234 0.05185817 0.73529267
0.31600333 0.92694372 0.85425381
0.31952411 0.02554805 0.87630157
0.26422636 0.08740418 0.82044597
0.22175647 0.82204994 0.01612673
0.18514063 0.92809870 0.60434151
0.12677156 0.07959715 0.91196247
0.89495442 0.08400496 0.77633865
0.89218559 0.90921696 0.86336126
0.06610745 0.89474578 0.90261812
0.97791082 0.14175960 0.19165725
0.95004408 0.83121114 0.19155311
0.83690977 0.83925795 0.32351190
0.64320012 0.22038199 0.56163034
0.65173394 0.02774315 0.24826487
0.53521781 0.15442554 0.26418939
0.53677278 0.25714556 0.41261526
0.00735528 0.86535343 0.60834798
0.73922939 0.51241403 0.27523112
0.79157379 0.61571596 0.13937019
0.91006311 0.66575281 0.00720693
0.95363541 0.45916365 0.98492869
0.60791682 0.30546775 0.01475520
0.72206284 0.47115355 0.77774527
0.60065725 0.40330395 0.65953387
0.22307255 0.17421192 0.50830312
0.34838480 0.33860274 0.81542054
0.18855674 0.35050125 0.76307954
0.12260061 0.27692013 0.60035167
0.06027650 0.58700385 0.25753372
0.80045074 0.90149785 0.73272206
0.65350663 0.79391344 0.84623398
0.54274221 0.80867630 0.67795130
0.69788101 0.86930303 0.56692386
0.94094052 0.64043794 0.70063290
0.68829176 0.53423347 0.55143599
0.73959354 0.36444229 0.57389458
1.00656730 0.19083640 0.97014299
0.70945446 0.24029160 0.77943409
0.71056254 0.15834954 0.94215715
0.85694396 0.14155177 0.04375376
0.62231310 0.09096764 0.74763494
0.43767319 0.36233094 0.99992443
0.40517431 0.44247849 0.09749725
0.52157302 0.58973876 0.15355774
0.65978161 0.54739959 0.02819887
0.48662669 0.50844516 0.69840271
0.45607294 0.77162235 0.86005946
0.39285758 0.84485764 0.70087366
0.16242177 0.74890999 0.26544502
0.21813220 0.66745468 0.62092029
0.06527349 0.62668037 0.53528215
0.03355776 0.67663758 0.36297671
0.64540053 0.34988067 0.26404358
0.15742329 0.40575017 0.23942451
0.36009523 0.39014176 0.24122736
0.34149435 0.27928365 0.08266714
0.13559077 0.27807467 0.09046375
0.24794798 0.66520781 0.09133675
0.26954955 0.48053469 0.84020982
0.26235067 0.62248835 0.73474485
0.17866351 0.10087847 0.68548075
0.35405836 0.87762273 0.90264435
0.36127882 0.05184277 0.94127424
0.26156112 0.16353228 0.84006625
0.28447604 0.12445793 0.32513647
0.09774797 0.12976417 0.10757802
0.91485614 0.85762985 0.01908746
0.95392457 0.04112874 0.58173221
0.03608844 0.79566910 0.78757015
0.77737899 0.98672119 0.39660767
0.72582227 0.34602214 0.11785206
0.77908986 0.57495273 0.89678351
0.88627013 0.56740397 0.31637660
0.08695023 0.58717532 0.06782404
0.47656684 0.28338780 0.69155100
0.85952149 0.72533859 0.80215328
0.64190302 0.67720423 0.54170598
0.68279698 0.97987083 0.91699101
0.57665609 0.99109584 0.58972099
0.86154274 0.30796814 0.69165398
0.45305847 0.43338764 0.81370534
0.54599468 0.70169517 0.99829887
0.48341174 0.27148779 0.19353851
0.68852433 0.54152950 0.23438600
0.35892688 0.75891698 0.53485801
0.27270818 0.56314498 0.19458059
0.18849793 0.36570232 0.92412801
0.28273111 0.30592811 0.39931813
0.29356536 0.09744328 0.13355330
0.23101248 0.79170089 0.77197330
0.00837892 0.98372336 0.09151685
0.97410829 0.89470923 0.66413827
0.75160565 0.41872806 0.96355924
0.00441981 0.59270411 0.20823265
0.77246001 0.68702828 0.65317692
0.62132660 0.01004171 0.75705019
0.50332823 0.58345246 0.87822342
0.59879464 0.39533561 0.23134260
0.24458409 0.48230790 0.04128551
0.28034258 0.18296261 0.27941409
0.80057545 0.22743093 0.30248341
0.95108437 0.24305887 0.31336065
0.87976489 0.18502291 0.43858181
0.78537923 0.99216147 0.58078538
0.62176950 0.18126357 0.70926145
0.77766377 0.13340337 0.64563394
0.39046018 0.32006059 0.96556015
0.47490776 0.12531617 0.82581191
0.52325110 0.14991151 0.98019490
0.38926203 0.14417157 0.44768399
0.37163102 0.04766951 0.57361472
0.49024807 0.14960452 0.57440259
0.85658802 0.44070693 0.84529162
0.07332277 0.55343379 0.71981912
0.02948765 0.46987915 0.84264483
1.00111247 0.19286317 0.68688854
0.09470685 0.20307435 0.81982868
0.04798928 0.33379676 0.74138615
0.33647883 0.47793527 0.55668770
0.48235049 0.49240204 0.52266141
0.38026517 0.57997601 0.44320313
0.35371475 0.89374400 0.36518074
0.32129660 0.79597485 0.23878306
0.42200762 0.75563880 0.35600494
0.29941221 0.85108712 0.07147111
0.15472782 0.79791098 0.08116253
0.19126265 0.90168579 0.96937807
0.26120431 0.91022396 0.55519457
0.14207877 0.00080020 0.55429137
0.12861034 0.84587812 0.58914622
No title
1
14.517955 -0.318723 -0.462045
-0.317391 13.789465 -0.003819
-0.464397 -0.000217 13.527423
C H O N F
110 60 25 10 30
Direct configuration= 71
0.07636365 0.04040248 0.95370862
0.92926809 0.01926526 0.75795531
0.95143074 0.94181882 0.82571830
0.02284150 0.95451822 0.92295072
0.06664484 0.06066036 0.05516352
0.97464418 0.92269689 0.01413621
0.95336883 -0.00470623 0.66021659
0.99175902 0.86576175 0.76002628
0.96385835 0.98702464 0.17949390
0.94533498 0.07614067 0.21996086
0.88654680 0.08185606 0.29658789
0.93082151 0.90036597 0.22047973
0.86894306 0.90486676 0.29329066
0.84312168 0.99428827 0.32744133
0.71099945 0.05337910 0.39617986
0.70734175 0.10804925 0.48469927
0.64825622 0.18632562 0.48948558
0.65020103 0.07031275 0.31599643
0.58682471 0.14248035 0.32452303
0.58848375 0.20263856 0.40857310
0.87898508 0.18286174 0.33784925
0.75761140 0.07944272 0.56878931
0.84564972 0.47290376 0.09390800
0.85499274 0.57600747 0.13654230
0.92056168 0.60159662 0.05395435
0.89677633 0.50211527 0.00677817
0.76986484 0.40524588 0.06821476
0.81670369 0.49936911 0.92582509
0.91369822 0.57987386 0.23276077
0.01430456 0.59653830 0.10583875
0.67694272 0.39219862 0.90544038
0.59271493 0.34440870 0.94562193
0.54196066 0.27908822 0.86769404
0.67023751 0.42010150 0.80313224
0.60369213 0.38163632 0.73691280
0.53435262 0.31355869 0.76596797
0.38173159 0.26455146 0.68362150
0.34519916 0.21157981 0.60058500
0.25149350 0.21588996 0.57226043
0.32295113 0.30756841 0.74520982
0.23090119 0.31370141 0.71377235
0.19490957 0.27179969 0.62515861
0.51403729 0.18840562 0.89047270
0.39973915 0.14018185 0.54980493
0.75167173 0.83861732 0.72761852
0.66484572 0.85025734 0.79075503
0.60693305 0.85157423 0.69120697
0.68828287 0.82518445 0.63296463
0.80252483 0.74696074 0.73757462
0.69372817 0.72229666 0.60221087
0.65832409 0.95251629 0.83284040
0.59579509 0.95798158 0.67243641
0.80693224 0.59586822 0.63753212
0.89640787 0.57965017 0.67288197
0.92323767 0.48376697 0.69356874
0.75384201 0.51945036 0.59095010
0.78283621 0.42557223 0.60370614
0.85802321 0.40407471 0.66826359
0.85704335 0.26737897 0.78722478
0.93986029 0.24224707 0.83523134
0.94060925 0.20271167 0.93045689
0.77412272 0.23648175 0.82462822
0.77490103 0.18823350 0.91556119
0.85750604 0.17599256 0.97130837
0.00806072 0.49468050 0.75217362
0.02023637 0.24240439 0.77314557
0.55333223 0.44412186 0.95952937
0.47581277 0.43558001 0.12617843
0.54563898 0.51893761 0.13024403
0.58470354 0.53017212 0.02470526
0.49890719 0.48079418 0.87932012
0.54348514 0.61790555 0.96847976
0.50902586 0.35676917 0.17982875
0.61739330 0.48443081 0.20508807
0.47158920 0.63277470 0.79185246
0.46358339 0.58129757 0.70222869
0.42120424 0.61779413 0.61648259
0.44605257 0.72895269 0.79225236
0.40981849 0.76882083 0.70425936
0.39367531 0.71355335 0.61804808
0.27572168 0.72657357 0.49058387
0.26139705 0.74950891 0.39040584
0.17420108 0.72989999 0.34336095
0.20703834 0.67950001 0.54202144
0.12078401 0.65950015 0.49431264
0.10360443 0.68675997 0.39600457
0.40445163 0.54430338 0.53351574
0.33942455 0.79794628 0.33829434
0.21176944 0.39682766 0.18794838
0.29810575 0.34306270 0.22642068
0.28864101 0.27592695 0.13550954
0.19717391 0.32661464 0.09971527
0.24433463 0.49225732 0.14562598
0.20825197 0.38915908 0.01007581
0.28606364 0.27824139 0.31392137
0.28574392 0.17384876 0.17699262
0.25533241 0.56194892 0.97564254
0.24956643 0.65527546 0.01213535
0.23857607 0.73648262 0.95176443
0.26116899 0.55077125 0.87354227
0.25553562 0.63181905 0.81349102
0.24195668 0.72538889 0.84826263
0.25395937 0.88929412 0.77979491
0.21231629 0.95360777 0.71032535
0.21506422 0.05182634 0.73518886
0.31592024 0.92694420 0.85412630
0.31946344 0.02552607 0.87614373
0.26413714 0.08737812 0.82031790
0.22156923 0.82199383 0.01608097
0.18517112 0.92815179 0.60424104
0.12691894 0.07966935 0.91200742
0.89492715 0.08412880 0.77636269
0.89224421 0.90940591 0.86342614
0.06614421 0.89493454 0.90263755
0.97789821 0.14184424 0.19159506
0.95011461 0.83134170 0.19144455
0.83698979 0.83928575 0.32341182
0.64324358 0.22008772 0.56180504
0.65174344 0.02782656 0.24832103
0.53523377 0.15445766 0.26438029
0.53678240 0.25698423 0.41289184
0.00751956 0.86552987 0.60851217
0.73929659 0.51226547 0.27500594
0.79158782 0.61569159 0.13917736
0.91009277 0.66564989 0.00699281
0.95369245 0.45909365 0.98492776
0.60796403 0.30542982 0.01465797
0.72213508 0.47115883 0.77773373
0.60073536 0.40338184 0.65951905
0.22308232 0.17430192 0.50842105
0.34840729 0.33851429 0.81549921
0.18853985 0.35021540 0.76335166
0.12254526 0.27675832 0.60063995
0.06032025 0.58713641 0.25732561
0.80051078 0.90153471 0.73283525
0.65350536 0.79396905 0.84632328
0.54276752 0.80882154 0.67806837
0.69798550 0.86929705 0.56707332
0.94090316 0.64039736 0.70093284
0.68833652 0.53440354 0.55148681
0.73954803 0.36460697 0.57391340
1.00634436 0.19068917 0.97010245
0.70920344 0.24021869 0.77955615
0.71033592 0.15815950 0.94221302
0.85673612 0.14132520 0.04373258
0.62237616 0.09101183 0.74768494
0.43773631 0.36219658 0.99969479
0.40524436 0.44226816 0.09734085
0.52158575 0.58955809 0.15348574
0.65973776 0.54737771 0.02801778
0.48624846 0.50834464 0.69840661
0.45615557 0.77154288 0.86004419
0.39294863 0.84486240 0.70093474
0.16250888 0.74873878 0.26549792
0.21801709 0.66776110 0.62104256
0.06523414 0.62676234 0.53536948
0.03362141 0.67640168 0.36299111
0.64554443 0.34973034 0.26377497
0.15742955 0.40569188 0.23928403
0.36015824 0.39023554 0.24106149
0.34161307 0.27931671 0.08264685
0.13570444 0.27810376 0.09032191
0.24796324 0.66522350 0.09127025
0.26957207 0.48063731 0.84017257
0.26227688 0.62258275 0.73473592
0.17855246 0.10082956 0.68539632
0.35398538 0.87761954 0.90252168
0.36125026 0.05183457 0.94106755
0.26146064 0.16347950 0.83991067
0.28474261 0.12454980 0.32510425
0.09775666 0.12988094 0.10750835
0.91484062 0.85789674 0.01904482
0.95419892 0.04131843 0.58181587
0.03608380 0.79579062 0.78770544
0.77742896 0.98668229 0.39654254
0.72594999 0.34591578 0.11772033
0.77924733 0.57482352 0.89657176
0.88631828 0.56756212 0.31619168
0.08695666 0.58699645 0.06765394
0.47660681 0.28347131 0.69153321
0.85962719 0.72540212 0.80234999
0.64175473 0.67719191 0.54208031
0.68272827 0.97984947 0.91710201
0.57686787 0.99119377 0.58980347
0.86123343 0.30801144 0.69179887
0.45308013 0.43328663 0.81366345
0.54573344 0.70153308 0.99829279
0.48354104 0.27130691 0.19333947
0.68858005 0.54137060 0.23419041
0.35890231 0.75900549 0.53494175
0.27260038 0.56313989 0.19448097
0.18867536 0.36576024 0.92412235
0.28303067 0.30593714 0.39913937
0.29356385 0.09757202 0.13355303
0.23090168 0.79171871 0.77193626
0.00842126 0.98387006 0.09146928
0.97424796 0.89488557 0.66423604
0.75164598 0.41872960 0.96352856
0.00446310 0.59283293 0.20804099
0.77247272 0.68706312 0.65339482
0.62140020 0.01009656 0.75715307
0.50321901 0.58334737 0.87818458
0.59889575 0.39515635 0.23115132
0.24466912 0.48234497 0.04123151
0.28054978 0.18304474 0.27936378
0.80060664 0.22742914 0.30233637
0.95112420 0.24303473 0.31335940
0.87967535 0.18500163 0.43848134
0.78567086 0.99207167 0.58066551
0.62177735 0.18122735 0.70917231
0.77777942 0.13321975 0.64560822
0.39048330 0.31990583 0.96546904
0.47486560 0.12539424 0.82578676
0.52322772 0.14996277 0.98012138
0.38943486 0.14434988 0.44779243
0.37139546 0.04777215 0.57355939
0.49020773 0.14944937 0.57467798
0.85670542 0.44042595 0.84540437
0.07326419 0.55338805 0.71985221
0.02951412 0.46994889 0.84272981
1.00071006 0.19320503 0.68673530
0.09434291 0.20270474 0.81963705
0.04796397 0.33380096 0.74175072
0.33642712 0.47786726 0.55684930
0.48223994 0.49258751 0.52261032
0.37992719 0.57997921 0.44331126
0.35375787 0.89371464 0.36522979
0.32137572 0.79592496 0.23890275
0.42204555 0.75562082 0.35615011
0.29908678 0.85088248 0.07168153
0.15430407 0.79781329 0.08084446
0.19128952 0.90172196 0.96935514
0.26128526 0.91019362 0.55523830
0.14226183 0.00091600 0.55414714
0.12854705 0.84601209 0.58890604
No title
1
14.518833 -0.318084 -0.462787
-0.316926 13.786547 -0.005666
-0.465273 -0.002065 13.523785
C H O N F
110 60 25 10 30
Direct configuration= 72
0.07624028 0.04025640 0.95371441
0.92918998 0.01908031 0.75785806
0.95136522 0.94157362 0.82569409
0.02276023 0.95426126 0.92292562
0.06659296 0.06052103 0.05522295
0.97466815 0.92251012 0.01415837
0.95313530 -0.00494040 0.66012046
0.99173732 0.86549869 0.75991214
0.96381424 0.98689912 0.17957107
0.94531166 0.07602835 0.22004545
0.88652893 0.08183440 0.29666081
0.93074185 0.90021695 0.22059972
0.86886822 0.90482151 0.29340499
0.84306442 0.99426105 0.32753703
0.71092940 0.05343940 0.39615570
0.70719921 0.10825486 0.48459050
0.64819843 0.18657781 0.48926591
0.65017137 0.07029928 0.31590435
0.58679660 0.14250931 0.32429221
0.58847379 0.20281127 0.40831986
0.87898517 0.18287002 0.33795117
0.75745754 0.07961552 0.56892958
0.84560947 0.47295123 0.09398790
0.85495658 0.57601443 0.13674906
0.92051633 0.60167508 0.05417545
0.89671504 0.50220567 0.00685033
0.76980760 0.40533195 0.06827655
0.81658819 0.49952451 0.92590335
0.91365022 0.57973686 0.23298797
0.01425942 0.59659025 0.10608098
0.67686495 0.39222290 0.90550710
0.59264830 0.34443649 0.94573074
0.54187470 0.27907509 0.86779023
0.67013143 0.42007675 0.80316729
0.60361435 0.38157649 0.73695637
0.53430090 0.31347956 0.76601893
0.38169475 0.26444859 0.68353917
0.34518603 0.21146377 0.60053666
0.25149004 0.21578773 0.57209820
0.32291685 0.30765254 0.74512768
0.23090124 0.31387905 0.71348155
0.19494362 0.27191984 0.62493043
0.51402900 0.18835867 0.89055547
0.39976088 0.14008583 0.54968768
0.75160522 0.83854878 0.72742648
0.66480889 0.85017026 0.79060246
0.60686191 0.85144388 0.69104121
0.68821307 0.82512794 0.63273822
0.80247307 0.74688087 0.73735675
0.69371843 0.72220966 0.60178924
0.65830756 0.95246988 0.83268038
0.59561743 0.95788491 0.67225927
0.80694302 0.59578734 0.63725958
0.89645640 0.57964155 0.67257181
0.92332868 0.48378620 0.69333503
0.75382712 0.51927329 0.59083546
0.78287545 0.42540948 0.60361847
0.85817545 0.40401455 0.66808460
0.85736488 0.26742386 0.78708150
0.94022192 0.24232818 0.83519262
0.94090607 0.20287786 0.93044423
0.77448906 0.23659084 0.82448988
0.77519667 0.18843534 0.91546259
0.85783727 0.17622070 0.97129680
0.00810318 0.49470261 0.75201102
0.02060614 0.24243885 0.77313984
0.55336078 0.44421700 0.95962705
0.47573759 0.43580025 0.12630367
0.54560132 0.51913548 0.13037898
0.58475398 0.53028105 0.02484438
0.49893626 0.48091939 0.87938763
0.54368943 0.61807950 0.96854269
0.50889651 0.35698743 0.18005603
0.61730774 0.48464041 0.20531734
0.47175903 0.63288532 0.79186227
0.46389932 0.58138243 0.70221236
0.42143990 0.61776667 0.61643459
0.44604032 0.72903267 0.79224438
0.40978314 0.76881766 0.70421004
0.39373718 0.71349960 0.61799042
0.27576259 0.72645719 0.49043857
0.26138035 0.74949858 0.39030666
0.17413497 0.73003571 0.34326448
0.20711716 0.67927985 0.54189162
0.12080476 0.65943837 0.49417756
0.10355503 0.68689932 0.39596100
0.40469214 0.54425712 0.53343458
0.33936820 0.79797879 0.33815668
0.21171008 0.39683031 0.18808385
0.29799599 0.34298918 0.22654957
0.28851352 0.27585882 0.13558047
0.19703021 0.32657488 0.09983916
0.24432924 0.49223233 0.14573851
0.20807058 0.38909848 0.01014329
0.28580072 0.27812696 0.31390989
0.28562692 0.17369974 0.17701226
0.25527917 0.56186227 0.97569053
0.24956616 0.65524472 0.01222364
0.23867000 0.73645109 0.95182991
0.26115646 0.55068133 0.87359372
0.25560407 0.63171186 0.81351731
0.24206258 0.72534796 0.84831680
0.25408802 0.88929549 0.77992253
0.21242568 0.95362763 0.71044021
0.21521324 0.05187184 0.73533555
0.31601859 0.92694195 0.85427852
0.31955616 0.02555008 0.87637075
0.26424977 0.08742487 0.82048329
0.22183186 0.82207209 0.01615488
0.18514241 0.92807886 0.60438855
0.12669709 0.07955527 0.91195432
0.89492643 0.08402242 0.77635783
0.89220779 0.90917225 0.86331421
0.06606462 0.89471316 0.90261537
0.97791704 0.14173276 0.19167699
0.95001593 0.83117173 0.19159219
0.83687982 0.83924138 0.32354927
0.64318302 0.22048301 0.56156622
0.65173052 0.02771597 0.24825130
0.53521798 0.15441396 0.26412617
0.53677161 0.25719774 0.41251616
0.00728855 0.86529624 0.60830670
0.73919763 0.51247129 0.27530299
0.79156286 0.61572292 0.13943806
0.91005120 0.66579277 0.00727965
0.95361112 0.45919145 0.98492733
0.60790134 0.30548210 0.01478919
0.72203405 0.47114684 0.77775151
0.60063192 0.40327950 0.65951967
0.22307601 0.17418466 0.50828108
0.34837140 0.33862911 0.81537293
0.18855858 0.35060851 0.76299182
0.12261695 0.27697340 0.60024938
0.06025700 0.58695608 0.25760292
0.80043311 0.90148580 0.73267928
0.65350752 0.79389309 0.84619949
0.54273339 0.80862542 0.67790805
0.69784625 0.86930254 0.56687164
0.94095566 0.64045537 0.70052784
0.68826934 0.53417443 0.55141810
0.73961017 0.36438223 0.57388893
1.00665469 0.19088869 0.97016374
0.70953319 0.24031763 0.77938796
0.71064788 0.15841709 0.94213599
0.85701517 0.14163249 0.04375874
0.62229010 0.09095167 0.74761669
0.43764479 0.36237498 1.00000279
0.40515287 0.44255262 0.09755433
0.52156804 0.58980223 0.15358054
0.65979736 0.54740671 0.02825917
0.48676091 0.50847726 0.69840300
0.45604509 0.77164826 0.86006271
0.39282568 0.84485762 0.70085153
0.16239225 0.74897250 0.26543636
0.21817091 0.66734860 0.62086465
0.06528546 0.62664925 0.53525469
0.03353539 0.67672200 0.36297144
0.64535187 0.34993607 0.26413986
0.15741694 0.40577068 0.23947209
0.36007036 0.39010912 0.24128382
0.34145523 0.27927133 0.08267122
0.13555224 0.27806627 0.09050927
0.24794400 0.66519935 0.09135864
0.26954193 0.48049479 0.84021953
0.26237509 0.62246122 0.73475268
0.17870186 0.10089587 0.68551027
0.35409022 0.87762030 0.90269094
0.36128776 0.05184473 0.94134125
0.26159666 0.16354563 0.84011962
0.28438081 0.12442244 0.32514616
0.09770494 0.12964448 0.10754032
0.91483653 0.85750407 0.01910286
0.95383500 0.04109901 0.58165173
0.03606207 0.79565471 0.78751582
0.77735554 0.98674120 0.39663185
0.72579487 0.34608110 0.11787843
0.77902942 0.57500484 0.89685806
0.88625216 0.56734742 0.31644713
0.08693603 0.58723729 0.06789244
0.47654769 0.28335716 0.69156392
0.85954328 0.72528863 0.80215311
0.64195191 0.67720661 0.54157081
0.68282335 0.97987516 0.91694601
0.57658042 0.99106604 0.58968604
0.86165062 0.30795802 0.69160717
0.45305334 0.43342310 0.81372038
0.54608478 0.70173548 0.99829678
0.48337032 0.27155382 0.19361508
0.68850205 0.54156955 0.23445688
0.35893483 0.75888330 0.53482998
0.27272638 0.56310236 0.19458679
0.18845459 0.36570271 0.92419602
0.28262659 0.30590499 0.39931459
0.29355271 0.09751704 0.13361868
0.23104719 0.79168827 0.77198511
0.00836392 0.98365839 0.09152217
0.97406837 0.89464687 0.66406229
0.75161047 0.41873860 0.96357695
0.00440800 0.59265636 0.20830054
0.77246543 0.68700601 0.65310131
0.62129937 0.01001559 0.75701498
0.50337008 0.58348951 0.87823926
0.59875480 0.39537984 0.23141395
0.24455284 0.48229000 0.04131546
0.28027035 0.18294505 0.27942174
0.80056686 0.22742896 0.30253223
0.95107243 0.24306465 0.31336195
0.87979383 0.18502896 0.43861402
0.78526589 0.99221551 0.58081859
0.62176811 0.18127532 0.70929430
0.77761229 0.13344349 0.64558297
0.39045451 0.32011668 0.96559665
0.47492295 0.12529718 0.82582895
0.52325954 0.14990282 0.98021371
0.38920083 0.14410376 0.44765401
0.37171485 0.04763285 0.57363967
0.49026030 0.14965938 0.57430758
0.85654372 0.44081338 0.84525444
0.07332235 0.55344061 0.71982020
0.02947522 0.46985200 0.84258952
1.00125138 0.19274308 0.68694109
0.09482379 0.20320112 0.81988928
0.04800057 0.33378148 0.74126358
0.33649889 0.47796019 0.55663157
0.48238915 0.49234001 0.52268412
0.38038476 0.57997670 0.44317115
0.35369780 0.89375293 0.36516291
0.32126673 0.79599403 0.23874630
0.42199054 0.75564732 0.35595147
0.29951888 0.85115799 0.07139196
0.15487388 0.79794797 0.08127221
0.19125031 0.90167305 0.96938839
0.26117160 0.91023897 0.55518104
0.14200966 0.00076467 0.55434050
0.12863163 0.84582746 0.58923048
No title
1
14.518963 -0.318000 -0.462848
-0.316859 13.786312 -0.005801
-0.465348 -0.002202 13.523429
C H O N F
110 60 25 10 30
Direct configuration= 73
0.07621378 0.04022113 0.95370680
0.92917010 0.01905685 0.75787941
0.95137158 0.94155665 0.82566399
0.02274846 0.95425291 0.92293172
0.06656278 0.06044940 0.05519104
0.97460906 0.92241118 0.01417126
0.95310924 -0.00496620 0.66006569
0.99169324 0.86551981 0.75987144
0.96380422 0.98685564 0.17958151
0.94531380 0.07602762 0.22005315
0.88651943 0.08182372 0.29667821
0.93073435 0.90021483 0.22061263
0.86885450 0.90480099 0.29342361
0.84305858 0.99427147 0.32754957
0.71091743 0.05345277 0.39615357
0.70721298 0.10826342 0.48462551
0.64819396 0.18661538 0.48925004
0.65016155 0.07029800 0.31588315
0.58679994 0.14251422 0.32427174
0.58845889 0.20283623 0.40826403
0.87898672 0.18287136 0.33796336
0.75739056 0.07965231 0.56885501
0.84560076 0.47295122 0.09399667
0.85494884 0.57601806 0.13677821
0.92051147 0.60168772 0.05420282
0.89670556 0.50222143 0.00686213
0.76979500 0.40533729 0.06829500
0.81657166 0.49954857 0.92591308
0.91364140 0.57971565 0.23303472
0.01424932 0.59659786 0.10611572
0.67685590 0.39222718 0.90551862
0.59263880 0.34443957 0.94574505
0.54186373 0.27907531 0.86780307
0.67012696 0.42007962 0.80317907
0.60359782 0.38156799 0.73694601
0.53428694 0.31346313 0.76602641
0.38168227 0.26445898 0.68356621
0.34517303 0.21143072 0.60050588
0.25149116 0.21579142 0.57210059
0.32290889 0.30764352 0.74507555
0.23091449 0.31392231 0.71347949
0.19494487 0.27191362 0.62486266
0.51402792 0.18835339 0.89056596
0.39976319 0.14007573 0.54967336
0.75159597 0.83854076 0.72739852
0.66480324 0.85015867 0.79058022
0.60685149 0.85142696 0.69101628
0.68820219 0.82511416 0.63270466
0.80247716 0.74686203 0.73733681
0.69375597 0.72223933 0.60177835
0.65830830 0.95246419 0.83266651
0.59559858 0.95785744 0.67226096
0.80694898 0.59577485 0.63722436
0.89646070 0.57964652 0.67252767
0.92334472 0.48378392 0.69330510
0.75381960 0.51925522 0.59081651
0.78288420 0.42538050 0.60360839
0.85819482 0.40400952 0.66805715
0.85744196 0.26742904 0.78706774
0.94025138 0.24234775 0.83517242
0.94096935 0.20289980 0.93045032
0.77451372 0.23660551 0.82446141
0.77526282 0.18846011 0.91546485
0.85785372 0.17625277 0.97128590
0.00810365 0.49470223 0.75198960
0.02065668 0.24244098 0.77313835
0.55336283 0.44423200 0.95963748
0.47572953 0.43582655 0.12632292
0.54559734 0.51916433 0.13039742
0.58476175 0.53029710 0.02486438
0.49894155 0.48093390 0.87939881
0.54371846 0.61808775 0.96854772
0.50887956 0.35702893 0.18008453
0.61729274 0.48466533 0.20534901
0.47178117 0.63290758 0.79186483
0.46394519 0.58138850 0.70220965
0.42147121 0.61776749 0.61642736
0.44604117 0.72903718 0.79224585
0.40977703 0.76882457 0.70420406
0.39374491 0.71348608 0.61797708
0.27576382 0.72643187 0.49044037
0.26137343 0.74950143 0.39027356
0.17412690 0.73005078 0.34326662
0.20712617 0.67925458 0.54185193
0.12081431 0.65942556 0.49418014
0.10354791 0.68692574 0.39593535
0.40472470 0.54424922 0.53342469
0.33935884 0.79798163 0.33814198
0.21170024 0.39683171 0.18810380
0.29798064 0.34297830 0.22656220
0.28849624 0.27584422 0.13558531
0.19701150 0.32656940 0.09985333
0.24432279 0.49221431 0.14574357
0.20805202 0.38909686 0.01018800
0.28576075 0.27813009 0.31398761
0.28560301 0.17376700 0.17705645
0.25527066 0.56186211 0.97571287
0.24956747 0.65522834 0.01222637
0.23868272 0.73645213 0.95184627
0.26115651 0.55065405 0.87359294
0.25561169 0.63171275 0.81352376
0.24207884 0.72533134 0.84831652
0.25409648 0.88929419 0.77992659
0.21244526 0.95362788 0.71046566
0.21522535 0.05187855 0.73534207
0.31604106 0.92694716 0.85431121
0.31955986 0.02555217 0.87638974
0.26427583 0.08743036 0.82052107
0.22186493 0.82208123 0.01616208
0.18513387 0.92807023 0.60440480
0.12667005 0.07954372 0.91194350
0.89493276 0.08399702 0.77635266
0.89218812 0.90913140 0.86330735
0.06606199 0.89467349 0.90261137
0.97791685 0.14171316 0.19169032
0.95000306 0.83114309 0.19161011
0.83686656 0.83923947 0.32356656
0.64317484 0.22053593 0.56152835
0.65172895 0.02770053 0.24824231
0.53521332 0.15440866 0.26408721
0.53677121 0.25722656 0.41246431
0.00726095 0.86526219 0.60826902
0.73918741 0.51249784 0.27534711
0.79156055 0.61572624 0.13947439
0.91004546 0.66581155 0.00732128
0.95360113 0.45920379 0.98492616
0.60789326 0.30548936 0.01480813
0.72201767 0.47114294 0.77775454
0.60061818 0.40326339 0.65952544
0.22307215 0.17416228 0.50825430
0.34837099 0.33865233 0.81537019
0.18856494 0.35065909 0.76293456
0.12262995 0.27700378 0.60019784
0.06024911 0.58693056 0.25764299
0.80042247 0.90147783 0.73265751
0.65350798 0.79388242 0.84618211
0.54272899 0.80859831 0.67788544
0.69782755 0.86930347 0.56684237
0.94096157 0.64046147 0.70047048
0.68826240 0.53414057 0.55141029
0.73961881 0.36435090 0.57388552
1.00669044 0.19091810 0.97016776
0.70958655 0.24033129 0.77936987
0.71068654 0.15845107 0.94212581
0.85705540 0.14167437 0.04376471
0.62227777 0.09094202 0.74760827
0.43763308 0.36240123 1.00004701
0.40513858 0.44259268 0.09758361
0.52156550 0.58983616 0.15359340
0.65980555 0.54741082 0.02829225
0.48683149 0.50849798 0.69840259
0.45602977 0.77166373 0.86006524
0.39280911 0.84485462 0.70083989
0.16237528 0.74900692 0.26542293
0.21819329 0.66728995 0.62084753
0.06529398 0.62663470 0.53523631
0.03352500 0.67676677 0.36297043
0.64532415 0.34996595 0.26419011
0.15741543 0.40578147 0.23949754
0.36005812 0.39009173 0.24131508
0.34143232 0.27926578 0.08267574
0.13553058 0.27806163 0.09053519
0.24794128 0.66519705 0.09137580
0.26953707 0.48048064 0.84022839
0.26238889 0.62244390 0.73475342
0.17872481 0.10090232 0.68552962
0.35410383 0.87762119 0.90271264
0.36129638 0.05184776 0.94138355
0.26161502 0.16355484 0.84014789
0.28432993 0.12440768 0.32515371
0.09772124 0.12966286 0.10758452
0.91489144 0.85751110 0.01910570
0.95378198 0.04105660 0.58165262
0.03609338 0.79558188 0.78750811
0.77734882 0.98674439 0.39664514
0.72578032 0.34611270 0.11789188
0.77899936 0.57502790 0.89689926
0.88624618 0.56731940 0.31647050
0.08693656 0.58727019 0.06792425
0.47654779 0.28334266 0.69156769
0.85952103 0.72527665 0.80211413
0.64194296 0.67717545 0.54145754
0.68283461 0.97987665 0.91691672
0.57653538 0.99105935 0.58964574
0.86170668 0.30794842 0.69158194
0.45305039 0.43344362 0.81372939
0.54613391 0.70177769 0.99830216
0.48334444 0.27158115 0.19365516
0.68848890 0.54160046 0.23449099
0.35894162 0.75886831 0.53481424
0.27274869 0.56311019 0.19461077
0.18841793 0.36568741 0.92417634
0.28257289 0.30587981 0.39926945
0.29355808 0.09743301 0.13358544
0.23106800 0.79168659 0.77199458
0.00835900 0.98363846 0.09152806
0.97404045 0.89461450 0.66405903
0.75160258 0.41873879 0.96358085
0.00439793 0.59263181 0.20833515
0.77246229 0.68699590 0.65305777
0.62128457 0.01000879 0.75699281
0.50339033 0.58350978 0.87824460
0.59873737 0.39541192 0.23145176
0.24453752 0.48228349 0.04132225
0.28023203 0.18292453 0.27942569
0.80056109 0.22742900 0.30255927
0.95106518 0.24306867 0.31336273
0.87980990 0.18503263 0.43863325
0.78521778 0.99221384 0.58084776
0.62176830 0.18128134 0.70931105
0.77760192 0.13350056 0.64562042
0.39044873 0.32014462 0.96561299
0.47493014 0.12528304 0.82583466
0.52326409 0.14989440 0.98022861
0.38916800 0.14406862 0.44763643
0.37175956 0.04761324 0.57365208
0.49026949 0.14968761 0.57425618
0.85652075 0.44086807 0.84523314
0.07333367 0.55345120 0.71981521
0.02947016 0.46983786 0.84256896
1.00132696 0.19267914 0.68697037
0.09489302 0.20326928 0.81992491
0.04800605 0.33377950 0.74119611
0.33650943 0.47797341 0.55660120
0.48241078 0.49230568 0.52269418
0.38044871 0.57997660 0.44315096
0.35368951 0.89375997 0.36515339
0.32125067 0.79600396 0.23872282
0.42198399 0.75565082 0.35592274
0.29958138 0.85119776 0.07135345
0.15495401 0.79796706 0.08133251
0.19124529 0.90166633 0.96939385
0.26115714 0.91024516 0.55517258
0.14197560 0.00074158 0.55436973
0.12864548 0.84580266 0.58927638
No title
1
14.519678 -0.317423 -0.463415
-0.316405 13.784415 -0.006966
-0.466001 -0.003376 13.521053
C H O N F
110 60 25 10 30
Direct configuration= 74
0.07609758 0.04005240 0.95363344
0.92908861 0.01893449 0.75788664
0.95136667 0.94145712 0.82556066
0.02266508 0.95413247 0.92294035
0.06649070 0.06030987 0.05527023
0.97462597 0.92225808 0.01417980
0.95294298 -0.00510337 0.65996427
0.99166136 0.86532939 0.75979709
0.96377761 0.98674154 0.17962186
0.94530059 0.07596086 0.22011141
0.88649919 0.08180251 0.29673807
0.93068094 0.90012961 0.22069323
0.86879408 0.90475278 0.29351081
0.84302244 0.99426364 0.32761492
0.71085848 0.05350734 0.39613760
0.70716469 0.10837512 0.48463103
0.64815545 0.18679797 0.48910959
0.65013466 0.07029100 0.31581398
0.58678552 0.14253751 0.32411827
0.58844065 0.20295130 0.40805687
0.87899085 0.18287508 0.33803148
0.75720427 0.07980554 0.56879263
0.84555780 0.47297241 0.09403742
0.85491604 0.57603178 0.13692956
0.92048386 0.60174750 0.05435041
0.89666972 0.50229827 0.00692356
0.76975162 0.40539303 0.06834646
0.81648215 0.49965929 0.92596391
0.91361155 0.57961644 0.23320346
0.01421433 0.59663387 0.10628894
0.67680689 0.39224993 0.90557041
0.59259024 0.34445618 0.94581853
0.54180496 0.27907151 0.86786939
0.67006125 0.42006667 0.80321158
0.60354065 0.38153040 0.73695050
0.53424038 0.31339622 0.76606823
0.38164949 0.26441598 0.68355471
0.34515175 0.21132895 0.60044673
0.25149139 0.21573822 0.57201829
0.32288264 0.30767997 0.74497110
0.23092831 0.31406964 0.71331703
0.19496556 0.27197079 0.62466279
0.51402150 0.18832491 0.89062305
0.39977928 0.14000808 0.54959769
0.75155431 0.83849681 0.72726129
0.66477685 0.85009712 0.79046933
0.60679962 0.85133423 0.69089720
0.68815459 0.82507155 0.63254432
0.80246120 0.74679586 0.73720328
0.69374241 0.72216540 0.60146506
0.65830111 0.95242729 0.83256016
0.59546981 0.95779020 0.67212584
0.80695969 0.59570639 0.63703077
0.89649284 0.57965591 0.67230803
0.92341955 0.48378650 0.69314573
0.75380318 0.51913892 0.59073249
0.78291481 0.42525802 0.60354599
0.85830295 0.40396701 0.66793023
0.85771014 0.26746040 0.78697545
0.94048336 0.24241481 0.83512881
0.94120818 0.20301734 0.93044977
0.77474093 0.23668188 0.82435487
0.77550326 0.18859945 0.91541384
0.85804966 0.17641430 0.97126684
0.00811646 0.49471018 0.75187937
0.02091343 0.24245728 0.77313088
0.55337880 0.44430334 0.95969818
0.47568091 0.43597753 0.12640900
0.54557568 0.51930966 0.13049111
0.58479904 0.53037612 0.02496427
0.49896250 0.48101316 0.87944657
0.54386591 0.61821200 0.96859626
0.50878845 0.35718273 0.18024672
0.61722344 0.48480276 0.20551065
0.47189815 0.63299767 0.79186882
0.46417161 0.58144178 0.70219827
0.42163688 0.61775205 0.61639414
0.44603746 0.72908512 0.79224607
0.40975101 0.76883073 0.70416857
0.39378849 0.71344146 0.61792965
0.27579028 0.72633986 0.49036329
0.26135678 0.74950100 0.39018160
0.17408171 0.73014546 0.34321666
0.20717799 0.67910501 0.54173467
0.12083663 0.65937727 0.49410924
0.10351277 0.68703390 0.39588386
0.40489606 0.54421585 0.53337240
0.33931351 0.79800328 0.33805111
0.21165497 0.39683462 0.18820234
0.29790100 0.34292652 0.22665185
0.28840770 0.27579525 0.13563131
0.19691084 0.32654201 0.09993721
0.24431741 0.49219689 0.14582180
0.20792480 0.38905506 0.01023666
0.28557389 0.27804456 0.31395840
0.28551714 0.17367012 0.17707634
0.25523242 0.56181581 0.97576320
0.24956971 0.65519260 0.01228001
0.23875067 0.73643791 0.95190462
0.26114962 0.55057229 0.87362299
0.25565735 0.63166010 0.81354751
0.24215604 0.72528934 0.84834673
0.25417541 0.88928961 0.78000081
0.21252823 0.95364099 0.71056202
0.21532139 0.05191139 0.73543231
0.31612154 0.92695438 0.85443303
0.31961622 0.02556587 0.87653700
0.26436529 0.08746062 0.82065201
0.22204210 0.82213617 0.01620852
0.18510299 0.92802160 0.60450136
0.12652620 0.07948230 0.91189135
0.89495868 0.08387418 0.77633258
0.89211839 0.90893647 0.86325221
0.06603461 0.89449046 0.90259053
0.97792897 0.14163092 0.19174841
0.94993363 0.83101579 0.19170965
0.83679219 0.83921363 0.32366083
0.64313028 0.22081231 0.56135043
0.65171997 0.02761966 0.24819170
0.53520231 0.15437846 0.26390398
0.53676071 0.25737945 0.41219725
0.00710651 0.86509304 0.60811126
0.73912587 0.51263812 0.27556508
0.79154357 0.61574431 0.13966003
0.91001551 0.66590833 0.00753102
0.95354752 0.45926912 0.98491906
0.60785082 0.30552662 0.01490295
0.72194493 0.47113241 0.77776637
0.60054717 0.40318600 0.65953530
0.22306519 0.17406833 0.50815054
0.34835054 0.33874459 0.81529724
0.18858324 0.35093397 0.76267055
0.12268481 0.27715474 0.59992635
0.06020540 0.58680132 0.25784197
0.80036822 0.90143862 0.73254483
0.65350997 0.79382826 0.84609196
0.54270650 0.80846046 0.67776958
0.69773119 0.86930695 0.56669492
0.94099499 0.64049627 0.70017994
0.68821709 0.53397493 0.55136576
0.73966340 0.36418971 0.57386893
1.00690148 0.19106429 0.97020681
0.70982879 0.24040180 0.77925863
0.71090223 0.15863010 0.94207150
0.85725546 0.14189094 0.04378642
0.62221473 0.09089872 0.74755978
0.43756796 0.36252977 1.00026811
0.40507055 0.44279576 0.09773487
0.52155262 0.59000813 0.15365804
0.65984803 0.54743181 0.02846018
0.48719355 0.50859631 0.69840038
0.45595210 0.77173895 0.86007629
0.39272283 0.84484846 0.70078020
0.16229198 0.74917789 0.26537568
0.21830335 0.66699582 0.62072958
0.06533278 0.62655604 0.53515185
0.03346607 0.67699527 0.36295912
0.64518472 0.35011553 0.26444799
0.15740452 0.40583695 0.23962745
0.35999364 0.39000225 0.24147085
0.34131890 0.27923383 0.08269422
0.13542167 0.27803548 0.09066480
0.24792822 0.66518040 0.09144627
0.26951440 0.48038850 0.84026448
0.26245780 0.62236036 0.73476443
0.17883308 0.10094535 0.68561571
0.35417869 0.87762258 0.90282958
0.36132789 0.05185663 0.94158171
0.26171058 0.16360214 0.84029553
0.28407134 0.12431794 0.32518049
0.09770599 0.12954577 0.10763429
0.91489038 0.85724160 0.01914696
0.95352207 0.04088470 0.58156467
0.03608550 0.79547121 0.78737003
0.77730511 0.98677489 0.39671121
0.72567787 0.34623250 0.11799442
0.77884501 0.57515419 0.89710670
0.88619731 0.56716803 0.31664941
0.08692377 0.58743938 0.06809392
0.47651579 0.28326293 0.69158771
0.85944259 0.72519794 0.80195668
0.64209007 0.67719290 0.54110896
0.68290174 0.97989296 0.91679686
0.57633536 0.99096817 0.58956812
0.86199736 0.30790979 0.69144802
0.45303571 0.43354755 0.81377583
0.54638142 0.70191802 0.99830376
0.48322419 0.27176156 0.19385333
0.68842851 0.54175139 0.23467053
0.35896609 0.75878342 0.53473387
0.27283534 0.56308365 0.19468713
0.18826534 0.36565006 0.92422997
0.28228639 0.30586115 0.39941003
0.29354905 0.09738918 0.13362643
0.23117257 0.79167213 0.77203663
0.00831814 0.98350355 0.09156303
0.97391216 0.89444397 0.66396267
0.75156880 0.41874271 0.96361155
0.00435320 0.59250509 0.20851878
0.77245136 0.68695890 0.65284614
0.62121105 0.00995544 0.75689109
0.50349715 0.58361011 0.87827912
0.59864202 0.39557581 0.23163966
0.24445575 0.48224407 0.04137787
0.28003538 0.18285277 0.27946450
0.80053249 0.22742846 0.30269610
0.95102807 0.24308654 0.31336560
0.87989164 0.18505160 0.43873011
0.78494761 0.99226987 0.58097238
0.62176579 0.18131215 0.70939879
0.77751092 0.13370967 0.64567436
0.39042469 0.32029213 0.96570212
0.47496847 0.12521476 0.82586718
0.52328681 0.14985345 0.98030156
0.38900047 0.14389123 0.44754181
0.37198793 0.04751379 0.57371654
0.49030877 0.14983446 0.57399514
0.85640432 0.44114994 0.84512712
0.07338252 0.55349878 0.71979340
0.02944348 0.46976446 0.84246024
1.00171267 0.19235272 0.68711994
0.09523944 0.20361568 0.82010627
0.04803694 0.33376757 0.74085234
0.33656222 0.47803969 0.55644693
0.48252066 0.49213158 0.52274641
0.38077371 0.57997554 0.44305079
0.35364701 0.89379084 0.36510546
0.32117022 0.79605550 0.23860643
0.42194671 0.75566991 0.35577749
0.29989470 0.85139747 0.07115445
0.15536075 0.79806442 0.08163808
0.19121890 0.90163033 0.96942106
0.26108001 0.91027876 0.55513086
0.14179894 0.00062717 0.55451577
0.12871079 0.84567417 0.58950820
No title
1
14.519842 -0.317377 -0.463418
-0.316384 13.784014 -0.007299
-0.466035 -0.003704 13.520482
C H O N F
110 60 25 10 30
Direct configuration= 75
0.07608599 0.04005394 0.95366566
0.92908758 0.01889461 0.75785084
0.95133740 0.94140259 0.82558068
0.02265983 0.95407315 0.92292111
0.06649102 0.06029524 0.05525295
0.97459244 0.92219648 0.01419015
0.95290897 -0.00515122 0.65997473
0.99164272 0.86532703 0.75976162
0.96376556 0.98673018 0.17964269
0.94529728 0.07593622 0.22012116
0.88649956 0.08180009 0.29674579
0.93066917 0.90010262 0.22070922
0.86878654 0.90475220 0.29352412
0.84301216 0.99425485 0.32763061
0.71085240 0.05351124 0.39613822
0.70711521 0.10842071 0.48456924
0.64814708 0.18683260 0.48907391
0.65013294 0.07028612 0.31580027
0.58677871 0.14254131 0.32408019
0.58844222 0.20297846 0.40802782
0.87898971 0.18287731 0.33804840
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No title
1
14.520288 -0.316939 -0.463903
-0.316056 13.782118 -0.008467
-0.466601 -0.004875 13.518121
C H O N F
110 60 25 10 30
Direct configuration= 76
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0.32107301 0.79611850 0.23847852
0.42189736 0.75569458 0.35560451
0.30025131 0.85162971 0.07090723
0.15584130 0.79818373 0.08200060
0.19118326 0.90159118 0.96945243
0.26098246 0.91032189 0.55508415
0.14158189 0.00050010 0.55468388
0.12878794 0.84551903 0.58978412
No title
1
14.520513 -0.316815 -0.463970
-0.315961 13.781729 -0.008763
-0.466693 -0.005170 13.517641
C H O N F
110 60 25 10 30
Direct configuration= 77
0.07597541 0.03992758 0.95367216
0.92901206 0.01873154 0.75779107
0.95127872 0.94119055 0.82554845
0.02259208 0.95386925 0.92289925
0.06642633 0.06013863 0.05525686
0.97457620 0.92200398 0.01421361
0.95272218 -0.00534841 0.65985929
0.99160116 0.86513851 0.75964751
0.96372150 0.98660080 0.17970962
0.94528122 0.07585393 0.22018892
0.88647998 0.08177023 0.29681321
0.93060447 0.89999219 0.22080260
0.86872083 0.90469944 0.29362052
0.84296687 0.99424504 0.32771039
0.71078945 0.05356291 0.39611572
0.70703981 0.10856744 0.48454104
0.64809625 0.18704730 0.48890202
0.65010457 0.07027039 0.31571218
0.58676393 0.14256619 0.32389772
0.58841625 0.20312646 0.40778852
0.87898943 0.18288112 0.33813148
0.75703974 0.07998411 0.56890351
0.84552175 0.47300661 0.09412953
0.85487916 0.57602409 0.13712926
0.92043428 0.60181902 0.05457100
0.89658701 0.50238166 0.00698197
0.76968596 0.40546627 0.06842828
0.81637934 0.49982569 0.92604725
0.91355303 0.57947682 0.23343974
0.01417261 0.59668143 0.10652577
0.67672591 0.39226857 0.90563659
0.59252775 0.34449023 0.94592247
0.54172380 0.27906454 0.86796587
0.66996887 0.42005294 0.80324146
0.60345808 0.38146147 0.73699528
0.53419240 0.31332253 0.76611097
0.38161061 0.26432680 0.68349322
0.34513888 0.21120610 0.60039829
0.25148933 0.21563987 0.57187800
0.32285069 0.30775698 0.74487269
0.23093675 0.31425361 0.71304918
0.19499992 0.27207389 0.62442925
0.51401112 0.18827816 0.89071215
0.39980111 0.13991103 0.54949161
0.75149068 0.83842105 0.72706735
0.66474299 0.85001256 0.79031243
0.60673420 0.85120851 0.69072764
0.68808862 0.82500691 0.63231415
0.80236675 0.74672958 0.73694044
0.69380031 0.72214976 0.60113044
0.65828544 0.95238138 0.83239859
0.59530625 0.95767337 0.67199387
0.80697143 0.59563141 0.63676413
0.89653818 0.57964157 0.67199967
0.92350124 0.48380147 0.69291508
0.75378767 0.51895984 0.59061777
0.78296004 0.42509557 0.60346269
0.85845571 0.40391209 0.66775237
0.85804199 0.26750527 0.78684383
0.94082462 0.24249692 0.83508218
0.94150818 0.20317871 0.93044269
0.77508644 0.23678996 0.82421539
0.77580474 0.18879475 0.91532841
0.85836096 0.17663835 0.97125175
0.00817231 0.49472915 0.75172971
0.02128186 0.24248969 0.77312786
0.55340812 0.44439900 0.95978922
0.47561027 0.43618973 0.12652990
0.54553789 0.51949894 0.13061817
0.58484977 0.53048154 0.02509348
0.49899378 0.48113724 0.87951201
0.54406583 0.61836580 0.96864927
0.50866263 0.35741661 0.18046517
0.61714563 0.48502113 0.20573335
0.47206670 0.63310673 0.79187991
0.46448209 0.58152390 0.70218317
0.42186765 0.61772986 0.61634717
0.44602843 0.72916227 0.79223736
0.40971707 0.76883134 0.70411745
0.39385048 0.71338520 0.61787158
0.27582716 0.72622154 0.49023000
0.26133687 0.74949665 0.39007847
0.17401788 0.73028430 0.34313389
0.20725494 0.67889433 0.54159718
0.12086144 0.65931699 0.49398632
0.10346442 0.68717855 0.39583341
0.40513494 0.54416983 0.53329531
0.33925673 0.79803883 0.33791336
0.21159035 0.39683636 0.18833192
0.29779081 0.34285495 0.22676583
0.28828113 0.27572773 0.13569500
0.19676936 0.32650501 0.10005549
0.24431159 0.49217936 0.14593268
0.20775097 0.38900241 0.01031060
0.28530821 0.27797573 0.31411017
0.28539720 0.17356926 0.17710648
0.25518149 0.56174184 0.97582076
0.24957276 0.65515615 0.01236612
0.23884718 0.73641131 0.95198046
0.26113863 0.55048231 0.87367097
0.25572398 0.63156579 0.81358068
0.24226280 0.72524903 0.84840415
0.25430080 0.88929524 0.78012571
0.21263713 0.95365576 0.71068010
0.21545979 0.05195576 0.73556565
0.31622293 0.92695731 0.85458570
0.31970256 0.02558583 0.87675143
0.26448269 0.08750930 0.82082567
0.22230643 0.82221295 0.01628930
0.18507818 0.92794959 0.60465272
0.12629779 0.07937233 0.91182434
0.89494557 0.08378329 0.77633927
0.89209309 0.90870855 0.86313886
0.06595217 0.89428204 0.90256399
0.97794397 0.14151508 0.19182986
0.94983369 0.83084670 0.19184857
0.83668763 0.83917139 0.32379336
0.64306622 0.22119903 0.56110746
0.65170825 0.02750897 0.24812684
0.53518520 0.15433739 0.26364488
0.53674984 0.25758495 0.41182355
0.00688090 0.86486771 0.60791015
0.73902570 0.51284222 0.27585521
0.79151636 0.61577240 0.13991709
0.90997340 0.66604957 0.00781714
0.95346173 0.45936971 0.98491635
0.60779230 0.30558086 0.01503105
0.72184169 0.47111497 0.77778315
0.60045053 0.40308139 0.65953071
0.22306247 0.17394195 0.50802444
0.34831756 0.33886850 0.81517749
0.18860613 0.35132118 0.76231105
0.12275893 0.27736046 0.59954955
0.06014205 0.58662051 0.25811609
0.80029621 0.90138544 0.73238568
0.65351363 0.79375270 0.84596383
0.54267627 0.80826919 0.67760710
0.69760034 0.86930872 0.56649267
0.94104257 0.64054761 0.69977832
0.68815083 0.53374383 0.55130472
0.73972777 0.36396546 0.57384796
1.00720309 0.19126814 0.97026725
0.71015665 0.24050003 0.77910118
0.71120704 0.15887827 0.94199477
0.85753063 0.14219284 0.04381422
0.62212739 0.09083511 0.74749297
0.43747358 0.36270665 1.00057459
0.40498422 0.44307691 0.09794849
0.52153488 0.59024585 0.15374535
0.65990713 0.54745991 0.02869012
0.48769690 0.50872977 0.69839968
0.45584612 0.77184240 0.86009108
0.39260369 0.84484135 0.70069632
0.16217789 0.74941735 0.26531906
0.21845453 0.66658869 0.62055452
0.06538617 0.62644517 0.53503720
0.03338531 0.67731368 0.36294371
0.64499415 0.35032390 0.26480895
0.15738605 0.40591362 0.23980666
0.35990186 0.38987824 0.24168606
0.34116356 0.27919018 0.08271755
0.13527362 0.27800439 0.09084111
0.24791138 0.66515494 0.09154095
0.26948329 0.48025708 0.84031147
0.26255161 0.62225034 0.73478539
0.17898093 0.10100694 0.68573358
0.35428675 0.87762386 0.90299278
0.36136938 0.05186703 0.94184917
0.26184345 0.16366296 0.84049901
0.28371106 0.12419565 0.32522032
0.09766129 0.12934178 0.10768188
0.91494841 0.85692744 0.01919812
0.95316580 0.04067344 0.58141860
0.03609258 0.79527536 0.78720602
0.77723388 0.98683249 0.39680029
0.72554748 0.34641566 0.11812131
0.77861889 0.57533502 0.89739396
0.88613296 0.56695875 0.31688457
0.08690004 0.58767478 0.06833433
0.47646533 0.28315162 0.69162328
0.85938783 0.72506511 0.80180342
0.64222110 0.67714798 0.54053802
0.68299870 0.97991376 0.91662986
0.57604375 0.99086201 0.58940937
0.86240113 0.30785330 0.69126449
0.45301164 0.43368491 0.81383313
0.54672315 0.70212784 0.99831115
0.48305458 0.27199968 0.19413457
0.68834953 0.54194422 0.23492826
0.35899977 0.75866170 0.53462349
0.27295064 0.56304061 0.19479052
0.18805311 0.36559830 0.92429302
0.28189581 0.30578335 0.39943527
0.29353633 0.09729768 0.13366696
0.23131361 0.79164546 0.77209399
0.00825918 0.98329986 0.09161364
0.97373572 0.89421190 0.66379638
0.75153819 0.41875295 0.96365344
0.00429751 0.59232859 0.20877214
0.77244807 0.68688809 0.65255344
0.62110744 0.00987671 0.75674864
0.50364695 0.58375260 0.87833088
0.59850421 0.39578930 0.23190034
0.24434355 0.48219150 0.04146100
0.27976139 0.18275398 0.27951107
0.80049633 0.22742366 0.30288574
0.95097816 0.24310886 0.31336956
0.88000520 0.18507691 0.43885808
0.78454909 0.99242271 0.58112673
0.62176246 0.18135788 0.70952275
0.77736325 0.13394479 0.64564387
0.39039328 0.32050196 0.96583058
0.47502255 0.12512733 0.82591993
0.52331834 0.14980632 0.98039413
0.38876816 0.14363723 0.44741749
0.37231201 0.04737562 0.57381270
0.49036048 0.15003454 0.57363427
0.85624287 0.44154481 0.84497774
0.07343200 0.55356307 0.71977296
0.02940738 0.46965278 0.84231276
1.00224948 0.19189880 0.68732995
0.09570559 0.20409597 0.82035030
0.04807920 0.33373239 0.74038015
0.33663963 0.47813301 0.55623212
0.48267268 0.49189433 0.52282027
0.38122685 0.57997383 0.44292169
0.35358577 0.89383024 0.36503726
0.32105588 0.79612967 0.23845379
0.42189059 0.75569828 0.35557455
0.30031656 0.85167085 0.07086806
0.15592452 0.79820413 0.08206292
0.19117877 0.90158225 0.96945939
0.26096750 0.91032928 0.55507583
0.14154643 0.00047601 0.55471518
0.12880165 0.84549323 0.58983241
No title
1
14.521111 -0.316390 -0.464297
-0.315629 13.780395 -0.009675
-0.467097 -0.006086 13.515751
C H O N F
110 60 25 10 30
Direct configuration= 78
0.07588221 0.03981867 0.95364141
0.92894679 0.01862698 0.75780777
0.95128688 0.94110779 0.82546921
0.02254188 0.95378041 0.92290858
0.06638264 0.06003487 0.05526716
0.97453615 0.92182853 0.01423177
0.95259625 -0.00548312 0.65979378
0.99154539 0.86503327 0.75957692
0.96369649 0.98651906 0.17974261
0.94526932 0.07579191 0.22023355
0.88646551 0.08175634 0.29686118
0.93056008 0.89992041 0.22086553
0.86867372 0.90466831 0.29368761
0.84293875 0.99422972 0.32776067
0.71074442 0.05360372 0.39610893
0.70697250 0.10866913 0.48450064
0.64806508 0.18718635 0.48878619
0.65008637 0.07026567 0.31566465
0.58674700 0.14258497 0.32376588
0.58841325 0.20321018 0.40763571
0.87899318 0.18288226 0.33818478
0.75692202 0.08010511 0.56891013
0.84549975 0.47303595 0.09415653
0.85485379 0.57603532 0.13725100
0.92040886 0.60186129 0.05468455
0.89657237 0.50244382 0.00703880
0.76962928 0.40548599 0.06846541
0.81629643 0.49990936 0.92608028
0.91352763 0.57939673 0.23357705
0.01414113 0.59670540 0.10665805
0.67668432 0.39228413 0.90567751
0.59249087 0.34450507 0.94597808
0.54167968 0.27906568 0.86801930
0.66991478 0.42004154 0.80326006
0.60341627 0.38142936 0.73700937
0.53416246 0.31327547 0.76614273
0.38159106 0.26427620 0.68345892
0.34513223 0.21113740 0.60037294
0.25148990 0.21558231 0.57179935
0.32283418 0.30780148 0.74481939
0.23093925 0.31435697 0.71289642
0.19501865 0.27213371 0.62430116
0.51400516 0.18825602 0.89075786
0.39981311 0.13985538 0.54943379
0.75145755 0.83838602 0.72695626
0.66472311 0.84996445 0.79022318
0.60669584 0.85113761 0.69063085
0.68805155 0.82496785 0.63218434
0.80235937 0.74666962 0.73684086
0.69382471 0.72213216 0.60093139
0.65828032 0.95235631 0.83231486
0.59521240 0.95760910 0.67191338
0.80697840 0.59558279 0.63661511
0.89656649 0.57964461 0.67182842
0.92355614 0.48380137 0.69278783
0.75377752 0.51886400 0.59055280
0.78298433 0.42500316 0.60341272
0.85854045 0.40387150 0.66765648
0.85822752 0.26753044 0.78676871
0.94101956 0.24254317 0.83505918
0.94167787 0.20327143 0.93043990
0.77528107 0.23685016 0.82413887
0.77597310 0.18890377 0.91527953
0.85853476 0.17676503 0.97124170
0.00819200 0.49473725 0.75165509
0.02147739 0.24250188 0.77312468
0.55342428 0.44445172 0.95983866
0.47557287 0.43630774 0.12659590
0.54552299 0.51961287 0.13068848
0.58487940 0.53054562 0.02517212
0.49901111 0.48120707 0.87954884
0.54418024 0.61844751 0.96868180
0.50859409 0.35754558 0.18059020
0.61709509 0.48513743 0.20585403
0.47216014 0.63317149 0.79188165
0.46465647 0.58156979 0.70217492
0.42199939 0.61771426 0.61632311
0.44602523 0.72920496 0.79223584
0.40969860 0.76883024 0.70408794
0.39388512 0.71335474 0.61783853
0.27585125 0.72615670 0.49015551
0.26132790 0.74949611 0.39001912
0.17398178 0.73036317 0.34308714
0.20729692 0.67877403 0.54151946
0.12087365 0.65928261 0.49391748
0.10343794 0.68725998 0.39580697
0.40526967 0.54414476 0.53325657
0.33921950 0.79805676 0.33784160
0.21155212 0.39683964 0.18840745
0.29772708 0.34281378 0.22683073
0.28821119 0.27568636 0.13572705
0.19669222 0.32648610 0.10011751
0.24430189 0.49215371 0.14598478
0.20765865 0.38897777 0.01037909
0.28515952 0.27792844 0.31417191
0.28532294 0.17357001 0.17715506
0.25515328 0.56169582 0.97585258
0.24957512 0.65513866 0.01241581
0.23890290 0.73639857 0.95202664
0.26113264 0.55043179 0.87370120
0.25576095 0.63151762 0.81360042
0.24232347 0.72522374 0.84843794
0.25436928 0.88929156 0.78019348
0.21270050 0.95366652 0.71075219
0.21553900 0.05198244 0.73564367
0.31628162 0.92696248 0.85467256
0.31975307 0.02559554 0.87687307
0.26454607 0.08753396 0.82091798
0.22244423 0.82225475 0.01632721
0.18505508 0.92791226 0.60472992
0.12616739 0.07931258 0.91179421
0.89495543 0.08369965 0.77633059
0.89202963 0.90855077 0.86310212
0.06592728 0.89414095 0.90254864
0.97795378 0.14145142 0.19187361
0.94977823 0.83074797 0.19192326
0.83662978 0.83914850 0.32386719
0.64302904 0.22141486 0.56096713
0.65170176 0.02744324 0.24808561
0.53518181 0.15431290 0.26350450
0.53673710 0.25770625 0.41161257
0.00676059 0.86473702 0.60778656
0.73897804 0.51295167 0.27602548
0.79150345 0.61578209 0.14006157
0.90994898 0.66612419 0.00798342
0.95341320 0.45942385 0.98491003
0.60776067 0.30561193 0.01510442
0.72178606 0.47110694 0.77779154
0.60039699 0.40301985 0.65953382
0.22306125 0.17386854 0.50795549
0.34829939 0.33893948 0.81510987
0.18861951 0.35153958 0.76210881
0.12280115 0.27747456 0.59933885
0.06010503 0.58651870 0.25826990
0.80025511 0.90135162 0.73229551
0.65351600 0.79371034 0.84589060
0.54266010 0.80816186 0.67751480
0.69752863 0.86931097 0.56637591
0.94106740 0.64057386 0.69955082
0.68811375 0.53361217 0.55127156
0.73976454 0.36383849 0.57383691
1.00737079 0.19138311 0.97030022
0.71034023 0.24055586 0.77901366
0.71137813 0.15901722 0.94195173
0.85768514 0.14236217 0.04383041
0.62207761 0.09079992 0.74745529
0.43742195 0.36280832 1.00074952
0.40493053 0.44323592 0.09806745
0.52152466 0.59037830 0.15379293
0.65994043 0.54747564 0.02881742
0.48797948 0.50880532 0.69839935
0.45578682 0.77189989 0.86009735
0.39253678 0.84483830 0.70064898
0.16211384 0.74955381 0.26528822
0.21853979 0.66635959 0.62045645
0.06541677 0.62638315 0.53497210
0.03333908 0.67749295 0.36293514
0.64488293 0.35044529 0.26500940
0.15737491 0.40595629 0.23990558
0.35985009 0.38980969 0.24180670
0.34107478 0.27916659 0.08273249
0.13518782 0.27798527 0.09093904
0.24790235 0.66514050 0.09159509
0.26946577 0.48018391 0.84033764
0.26260386 0.62219010 0.73479743
0.17906375 0.10104092 0.68579995
0.35434855 0.87762435 0.90308417
0.36139323 0.05187301 0.94199899
0.26191804 0.16369888 0.84061376
0.28350749 0.12412846 0.32524209
0.09764248 0.12924570 0.10771773
0.91499305 0.85676679 0.01922459
0.95296712 0.04055869 0.58132708
0.03610625 0.79515022 0.78710961
0.77720074 0.98685729 0.39685196
0.72547346 0.34651460 0.11819675
0.77849637 0.57544014 0.89755908
0.88609402 0.56684166 0.31701499
0.08689067 0.58780651 0.06846676
0.47643684 0.28308815 0.69164103
0.85931545 0.72500499 0.80167208
0.64230458 0.67712910 0.54022650
0.68305117 0.97992364 0.91652794
0.57588128 0.99079999 0.58932397
0.86262349 0.30782548 0.69116090
0.45299801 0.43376355 0.81386476
0.54691371 0.70224968 0.99831696
0.48295949 0.27213430 0.19429316
0.68829906 0.54206309 0.23506676
0.35901826 0.75859433 0.53455979
0.27302007 0.56302952 0.19485880
0.18793028 0.36556559 0.92430424
0.28167442 0.30574684 0.39946942
0.29353394 0.09719696 0.13366073
0.23139330 0.79163555 0.77212732
0.00822615 0.98318945 0.09162780
0.97363909 0.89407587 0.66371555
0.75152371 0.41876281 0.96368403
0.00426433 0.59222842 0.20891520
0.77244033 0.68685374 0.65238660
0.62104817 0.00983212 0.75666689
0.50372961 0.58383101 0.87835609
0.59843358 0.39590762 0.23204975
0.24428218 0.48216608 0.04150521
0.27960644 0.18269392 0.27953607
0.80047404 0.22742127 0.30299012
0.95094968 0.24311967 0.31337258
0.88006801 0.18509103 0.43893208
0.78433584 0.99247322 0.58122229
0.62176223 0.18138155 0.70959219
0.77729126 0.13410173 0.64565924
0.39037290 0.32061865 0.96589964
0.47505186 0.12507708 0.82594959
0.52333682 0.14977881 0.98045375
0.38863790 0.14349219 0.44734924
0.37249480 0.04729519 0.57386950
0.49039148 0.15014679 0.57343274
0.85615330 0.44177168 0.84489388
0.07346243 0.55360083 0.71976330
0.02938655 0.46959160 0.84221756
1.00255367 0.19164480 0.68745237
0.09597443 0.20436083 0.82049045
0.04810591 0.33371689 0.74011560
0.33668390 0.47818505 0.55611204
0.48276034 0.49176106 0.52286127
0.38148190 0.57997539 0.44284517
0.35355236 0.89385630 0.36499912
0.32098997 0.79617235 0.23836217
0.42186162 0.75571394 0.35545924
0.30056191 0.85182743 0.07071486
0.15624334 0.79828374 0.08230131
0.19115902 0.90155287 0.96948367
0.26090814 0.91035764 0.55504496
0.14140836 0.00038711 0.55483216
0.12885362 0.84539338 0.59001737
No title
1
14.521321 -0.316128 -0.464454
-0.315424 13.779471 -0.010254
-0.467297 -0.006666 13.514652
C H O N F
110 60 25 10 30
Direct configuration= 79
0.07584229 0.03978831 0.95365670
0.92892994 0.01855657 0.75774919
0.95124119 0.94101513 0.82549495
0.02251703 0.95367614 0.92288552
0.06635778 0.05997703 0.05526184
0.97454273 0.92177245 0.01423870
0.95251697 -0.00553992 0.65976012
0.99153814 0.86495760 0.75952972
0.96367739 0.98646747 0.17976894
0.94526473 0.07576200 0.22025614
0.88645942 0.08174066 0.29688430
0.93053736 0.89988178 0.22089705
0.86865217 0.90464588 0.29371958
0.84291840 0.99423087 0.32779475
0.71072735 0.05361623 0.39610322
0.70692239 0.10873635 0.48445678
0.64804899 0.18726471 0.48872386
0.65007382 0.07025629 0.31562275
0.58674703 0.14259138 0.32370096
0.58839404 0.20327415 0.40754552
0.87899249 0.18288492 0.33821864
0.75688953 0.08014956 0.56897849
0.84547964 0.47304315 0.09418085
0.85484597 0.57603354 0.13731298
0.92039616 0.60188600 0.05475933
0.89654500 0.50247235 0.00705698
0.76962430 0.40552459 0.06848345
0.81626489 0.49995931 0.92611162
0.91350907 0.57935206 0.23365020
0.01412667 0.59672065 0.10673356
0.67665753 0.39229146 0.90569750
0.59247315 0.34451661 0.94601209
0.54165325 0.27906134 0.86805206
0.66989133 0.42004067 0.80327154
0.60338519 0.38140225 0.73702534
0.53414811 0.31325433 0.76615042
0.38157601 0.26425925 0.68345783
0.34512242 0.21109006 0.60034677
0.25149077 0.21555988 0.57176908
0.32282056 0.30781687 0.74476799
0.23095079 0.31442452 0.71282926
0.19502888 0.27215486 0.62420897
0.51400202 0.18824175 0.89078885
0.39982292 0.13982325 0.54940341
0.75143712 0.83836034 0.72689348
0.66471262 0.84993723 0.79017174
0.60667564 0.85109673 0.69057642
0.68803138 0.82495027 0.63210997
0.80233050 0.74664800 0.73675908
0.69382453 0.72210629 0.60080075
0.65827668 0.95234361 0.83226646
0.59515743 0.95757639 0.67185908
0.80698743 0.59555712 0.63653177
0.89657549 0.57963327 0.67172725
0.92358458 0.48380714 0.69271486
0.75377085 0.51880548 0.59051524
0.78300199 0.42495189 0.60338818
0.85858696 0.40385833 0.66759722
0.85834643 0.26754280 0.78672978
0.94111735 0.24257409 0.83503783
0.94178117 0.20332294 0.93044248
0.77538122 0.23688523 0.82409043
0.77607896 0.18896444 0.91525834
0.85862267 0.17683706 0.97123301
0.00820339 0.49474592 0.75159734
0.02159943 0.24251055 0.77312514
0.55343361 0.44448385 0.95986602
0.47555143 0.43637540 0.12663432
0.54551038 0.51967160 0.13072816
0.58489606 0.53057917 0.02521278
0.49902172 0.48124470 0.87956978
0.54424396 0.61850544 0.96870089
0.50855409 0.35761932 0.18066081
0.61707089 0.48520289 0.20592632
0.47221380 0.63320965 0.79188635
0.46475659 0.58159332 0.70216900
0.42207214 0.61771061 0.61630846
0.44602298 0.72922697 0.79223064
0.40968797 0.76883375 0.70407326
0.39390526 0.71333253 0.61781753
0.27586053 0.72611510 0.49012170
0.26131778 0.74949594 0.38997960
0.17396296 0.73040669 0.34306835
0.20732124 0.67870854 0.54146539
0.12088568 0.65926201 0.49388796
0.10342174 0.68730929 0.39578248
0.40534688 0.54412975 0.53323094
0.33920299 0.79806973 0.33779645
0.21153279 0.39683999 0.18844723
0.29769123 0.34279126 0.22686963
0.28816983 0.27566668 0.13575004
0.19664538 0.32647343 0.10015543
0.24430240 0.49215599 0.14602597
0.20760073 0.38895889 0.01038460
0.28507611 0.27789560 0.31417367
0.28528683 0.17350555 0.17714975
0.25513701 0.56168053 0.97587770
0.24957711 0.65512076 0.01243961
0.23893414 0.73639180 0.95205417
0.26113008 0.55039866 0.87371194
0.25578188 0.63149259 0.81361356
0.24235829 0.72520908 0.84845408
0.25440742 0.88929611 0.78023018
0.21273624 0.95366894 0.71079129
0.21557972 0.05199642 0.73568032
0.31631723 0.92696208 0.85472439
0.31977656 0.02560325 0.87693564
0.26458936 0.08755063 0.82098196
0.22253145 0.82227946 0.01635595
0.18504860 0.92789028 0.60478035
0.12609264 0.07927710 0.91177276
0.89494908 0.08367178 0.77633600
0.89203652 0.90848275 0.86305807
0.06589721 0.89408103 0.90254445
0.97795739 0.14141169 0.19190018
0.94974555 0.83069393 0.19196704
0.83659634 0.83913497 0.32390974
0.64300762 0.22153799 0.56088785
0.65169860 0.02740963 0.24806942
0.53517346 0.15430046 0.26341711
0.53673869 0.25776594 0.41149225
0.00668908 0.86466418 0.60772274
0.73894216 0.51301966 0.27611512
0.79149132 0.61579122 0.14014454
0.90993474 0.66616949 0.00807480
0.95338879 0.45945377 0.98490569
0.60774194 0.30562947 0.01514507
0.72175138 0.47109935 0.77779730
0.60036697 0.40298622 0.65953021
0.22305925 0.17382348 0.50791335
0.34829129 0.33898352 0.81507849
0.18862871 0.35166203 0.76199062
0.12282664 0.27753954 0.59922074
0.06008387 0.58646055 0.25835677
0.80023308 0.90133426 0.73224369
0.65351746 0.79368638 0.84584855
0.54265103 0.80810085 0.67746208
0.69748803 0.86931092 0.56631090
0.94108461 0.64059247 0.69942351
0.68809301 0.53353763 0.55125330
0.73978513 0.36376600 0.57383026
1.00746402 0.19144882 0.97031814
0.71044779 0.24058733 0.77896621
0.71147356 0.15909533 0.94192750
0.85777341 0.14245858 0.04383960
0.62204933 0.09077965 0.74743319
0.43739017 0.36286426 1.00084761
0.40490309 0.44332601 0.09813649
0.52151865 0.59045503 0.15382032
0.65995948 0.54748480 0.02888945
0.48813958 0.50884951 0.69839975
0.45575358 0.77193346 0.86010248
0.39249933 0.84483424 0.70062193
0.16207712 0.74963247 0.26526869
0.21858843 0.66622876 0.62040336
0.06543410 0.62634793 0.53493470
0.03331488 0.67759517 0.36293162
0.64482583 0.35050904 0.26512795
0.15736690 0.40598080 0.23996263
0.35981942 0.38977011 0.24187452
0.34102606 0.27915280 0.08273905
0.13514145 0.27797622 0.09099403
0.24789742 0.66513244 0.09162835
0.26945525 0.48014545 0.84035392
0.26263340 0.62215627 0.73480467
0.17911171 0.10105885 0.68583936
0.35438322 0.87762590 0.90313478
0.36140807 0.05187709 0.94208586
0.26196012 0.16371664 0.84067778
0.28339186 0.12408871 0.32525265
0.09762761 0.12918174 0.10773027
0.91499142 0.85664276 0.01924001
0.95285561 0.04047830 0.58129837
0.03609768 0.79509861 0.78705287
0.77717568 0.98687792 0.39688051
0.72542209 0.34656003 0.11824596
0.77842333 0.57549989 0.89765152
0.88607175 0.56677415 0.31709342
0.08688275 0.58788139 0.06854285
0.47642516 0.28305253 0.69165391
0.85929512 0.72496144 0.80162142
0.64236533 0.67713121 0.54006534
0.68308120 0.97992865 0.91646890
0.57579013 0.99076107 0.58928224
0.86274937 0.30780436 0.69110587
0.45299099 0.43380920 0.81388350
0.54702187 0.70230813 0.99831688
0.48290556 0.27221257 0.19438444
0.68827712 0.54212303 0.23515239
0.35903043 0.75855635 0.53452436
0.27305360 0.56300894 0.19488820
0.18786742 0.36555506 0.92433927
0.28154706 0.30573397 0.39951705
0.29352625 0.09719733 0.13368889
0.23143836 0.79162582 0.77214852
0.00820822 0.98312807 0.09164439
0.97358418 0.89400179 0.66366165
0.75150711 0.41876509 0.96369359
0.00424753 0.59217112 0.20899547
0.77243833 0.68683304 0.65229398
0.62101464 0.00980479 0.75662214
0.50377801 0.58387636 0.87837321
0.59838607 0.39598580 0.23212655
0.24424572 0.48214673 0.04153127
0.27951767 0.18266414 0.27955245
0.80046322 0.22741890 0.30304950
0.95093401 0.24312555 0.31337384
0.88010392 0.18509888 0.43897204
0.78420150 0.99254205 0.58126878
0.62176188 0.18139541 0.70963305
0.77724124 0.13417003 0.64563199
0.39036386 0.32068758 0.96594095
0.47506919 0.12505026 0.82596792
0.52334691 0.14976630 0.98048245
0.38856325 0.14340922 0.44731213
0.37259949 0.04725152 0.57390205
0.49040697 0.15021036 0.57331746
0.85610085 0.44190151 0.84484735
0.07347779 0.55362271 0.71975888
0.02937772 0.46955153 0.84217870
1.00272549 0.19149907 0.68752227
0.09612167 0.20451318 0.82056719
0.04811902 0.33370304 0.73996676
0.33671005 0.47821547 0.55604349
0.48280934 0.49168579 0.52288487
0.38162823 0.57997552 0.44280445
0.35353249 0.89386833 0.36497670
0.32095202 0.79619682 0.23831479
0.42184232 0.75572413 0.35539289
0.30069473 0.85191383 0.07062290
0.15642464 0.79832898 0.08243765
0.19114633 0.90153815 0.96949631
0.26087206 0.91037425 0.55502788
0.14132748 0.00033907 0.55489648
0.12888287 0.84533608 0.59012204
No title
1
14.521789 -0.315713 -0.464771
-0.315101 13.778012 -0.011176
-0.467689 -0.007591 13.512732
C H O N F
110 60 25 10 30
Direct configuration= 80
0.07575596 0.03969413 0.95364107
0.92887427 0.01845356 0.75770646
0.95119329 0.94086784 0.82548209
0.02246403 0.95353379 0.92286527
0.06630818 0.05988121 0.05529166
0.97452123 0.92162686 0.01425208
0.95238905 -0.00567918 0.65969524
0.99151248 0.86482843 0.75944907
0.96364824 0.98638391 0.17980850
0.94525441 0.07570268 0.22029864
0.88644757 0.08171935 0.29692907
0.93049464 0.89980337 0.22095497
0.86860687 0.90461309 0.29378471
0.84288862 0.99422193 0.32784851
0.71067522 0.05365370 0.39607145
0.70690854 0.10881319 0.48449767
0.64800259 0.18741635 0.48859740
0.65005941 0.07024189 0.31556714
0.58673692 0.14261121 0.32357865
0.58837576 0.20337073 0.40738112
0.87899156 0.18288552 0.33827360
0.75672476 0.08028090 0.56889886
0.84545107 0.47306010 0.09422971
0.85482275 0.57602984 0.13742709
0.92037091 0.60193185 0.05488887
0.89649211 0.50252106 0.00708478
0.76958009 0.40555331 0.06854453
0.81620513 0.50006352 0.92616155
0.91347749 0.57927050 0.23378772
0.01410440 0.59674823 0.10687330
0.67661302 0.39230665 0.90573180
0.59243724 0.34453514 0.94607256
0.54160677 0.27905854 0.86810472
0.66983745 0.42002875 0.80329531
0.60334320 0.38136971 0.73703685
0.53411598 0.31320496 0.76618350
0.38155366 0.26421368 0.68343248
0.34511569 0.21101370 0.60031684
0.25149092 0.21550423 0.57169594
0.32280435 0.30785915 0.74470500
0.23095678 0.31453562 0.71268221
0.19504987 0.27220887 0.62406876
0.51399747 0.18822089 0.89084190
0.39983582 0.13976483 0.54934632
0.75139987 0.83831699 0.72677876
0.66469372 0.84988837 0.79007872
0.60663790 0.85102351 0.69047672
0.68799475 0.82491512 0.63197495
0.80228884 0.74660202 0.73662075
0.69385011 0.72208457 0.60059552
0.65826629 0.95230887 0.83216257
0.59506004 0.95751079 0.67177220
0.80699024 0.59550490 0.63637348
0.89660605 0.57963136 0.67155033
0.92363195 0.48380884 0.69258085
0.75376221 0.51871038 0.59045098
0.78302769 0.42485108 0.60333908
0.85867728 0.40382895 0.66749646
0.85854819 0.26756782 0.78665637
0.94130723 0.24262394 0.83500968
0.94196220 0.20341964 0.93043911
0.77556961 0.23694679 0.82401084
0.77626192 0.18907650 0.91521196
0.85878774 0.17696525 0.97122289
0.00823105 0.49475452 0.75151339
0.02181557 0.24252656 0.77312612
0.55345092 0.44454266 0.95991622
0.47551062 0.43649796 0.12670196
0.54548960 0.51978172 0.13080068
0.58492605 0.53064018 0.02528563
0.49903887 0.48131251 0.87960453
0.54435863 0.61859107 0.96873052
0.50848016 0.35774756 0.18078889
0.61702699 0.48533035 0.20605179
0.47231109 0.63327436 0.79189140
0.46493760 0.58163980 0.70216155
0.42220435 0.61769774 0.61627991
0.44602018 0.72926964 0.79222688
0.40966818 0.76883686 0.70404144
0.39394101 0.71329975 0.61778187
0.27588116 0.72604508 0.49005101
0.26130612 0.74949677 0.38991562
0.17392543 0.73048767 0.34302504
0.20736612 0.67858666 0.54138057
0.12090225 0.65922725 0.49382209
0.10339495 0.68739498 0.39575115
0.40548638 0.54410447 0.53318621
0.33916853 0.79809196 0.33771699
0.21149399 0.39684218 0.18852094
0.29762582 0.34275024 0.22693622
0.28809615 0.27562694 0.13578562
0.19656427 0.32645360 0.10022039
0.24429244 0.49213202 0.14608209
0.20750547 0.38893380 0.01044285
0.28492212 0.27784931 0.31423528
0.28521532 0.17345660 0.17717189
0.25510832 0.56164149 0.97591549
0.24958079 0.65509705 0.01249062
0.23899153 0.73637935 0.95210204
0.26112481 0.55034324 0.87373940
0.25582021 0.63144646 0.81363485
0.24242107 0.72518445 0.84848813
0.25447602 0.88929784 0.78029695
0.21280061 0.95368015 0.71086380
0.21565993 0.05201940 0.73575734
0.31638115 0.92696592 0.85481677
0.31982510 0.02561443 0.87705557
0.26465985 0.08757547 0.82108462
0.22268558 0.82232644 0.01640486
0.18503343 0.92784857 0.60486891
0.12596538 0.07922285 0.91172707
0.89494843 0.08360171 0.77633788
0.89201930 0.90834562 0.86299568
0.06585872 0.89395544 0.90253105
0.97796542 0.14134195 0.19194659
0.94968651 0.83059685 0.19204460
0.83653730 0.83911095 0.32398528
0.64296996 0.22175921 0.56074477
0.65169223 0.02734305 0.24803055
0.53516523 0.15427664 0.26326513
0.53673050 0.25788415 0.41127423
0.00656367 0.86453118 0.60760214
0.73888491 0.51313760 0.27628340
0.79147396 0.61580475 0.14029402
0.90990931 0.66625015 0.00824204
0.95334312 0.45950930 0.98489850
0.60770953 0.30566203 0.01521944
0.72169365 0.47109023 0.77780455
0.60031330 0.40292170 0.65953400
0.22305875 0.17374487 0.50784483
0.34827317 0.33905930 0.81501089
0.18864386 0.35188619 0.76178066
0.12287115 0.27765569 0.59900633
0.06004810 0.58635495 0.25851553
0.80019356 0.90130077 0.73214981
0.65352025 0.79364300 0.84577177
0.54263520 0.80799082 0.67736620
0.69741531 0.86931087 0.56619101
0.94110873 0.64061664 0.69918931
0.68805527 0.53340160 0.55122031
0.73982531 0.36363812 0.57382027
1.00763521 0.19156815 0.97035276
0.71063911 0.24064504 0.77887913
0.71164696 0.15923640 0.94188396
0.85793230 0.14263346 0.04385493
0.62199704 0.09074084 0.74739389
0.43733373 0.36296696 1.00102641
0.40485435 0.44348884 0.09826178
0.52150795 0.59059196 0.15386882
0.65999403 0.54750141 0.02901872
0.48842909 0.50892764 0.69840021
0.45569344 0.77199306 0.86010926
0.39243148 0.84482849 0.70057296
0.16201142 0.74977509 0.26523745
0.21867585 0.66599250 0.62030264
0.06546529 0.62628381 0.53486830
0.03326945 0.67778007 0.36292424
0.64471402 0.35063297 0.26533624
0.15735329 0.40602474 0.24006387
0.35976378 0.38969877 0.24199719
0.34093649 0.27912834 0.08275291
0.13505573 0.27795892 0.09109282
0.24788877 0.66511733 0.09168585
0.26943655 0.48007411 0.84038190
0.26268639 0.62209637 0.73481855
0.17919633 0.10109338 0.68590806
0.35444712 0.87762765 0.90322686
0.36143358 0.05188334 0.94223964
0.26203633 0.16375287 0.84079501
0.28318225 0.12401816 0.32527331
0.09760229 0.12907066 0.10775314
0.91501823 0.85645277 0.01926668
0.95264887 0.04035186 0.58122317
0.03608921 0.79499445 0.78695113
0.77713826 0.98690437 0.39693880
0.72535707 0.34667917 0.11830472
0.77829528 0.57559707 0.89782365
0.88603217 0.56665320 0.31723116
0.08686874 0.58801609 0.06867827
0.47639909 0.28298743 0.69167301
0.85924821 0.72488498 0.80151950
0.64244974 0.67711388 0.53974673
0.68313985 0.97994412 0.91637860
0.57562558 0.99069525 0.58919823
0.86297496 0.30777159 0.69100189
0.45297998 0.43389403 0.81391967
0.54721753 0.70243140 0.99832306
0.48280958 0.27236011 0.19455025
0.68822846 0.54223597 0.23529941
0.35905158 0.75848612 0.53446131
0.27312267 0.56299467 0.19495702
0.18774650 0.36552678 0.92436027
0.28131999 0.30569596 0.39955083
0.29351827 0.09713948 0.13370719
0.23151988 0.79161253 0.77218667
0.00817290 0.98301454 0.09167223
0.97348043 0.89387358 0.66357725
0.75148171 0.41877054 0.96371287
0.00421041 0.59206713 0.20913895
0.77243513 0.68679356 0.65212571
0.62095243 0.00976322 0.75653632
0.50386475 0.58395973 0.87840331
0.59831065 0.39610766 0.23227723
0.24418242 0.48211910 0.04157724
0.27935683 0.18260722 0.27957880
0.80044358 0.22741485 0.30315653
0.95090646 0.24313624 0.31337664
0.88016835 0.18511327 0.43904840
0.78398340 0.99260028 0.58137318
0.62176385 0.18141820 0.70970571
0.77717695 0.13434668 0.64566585
0.39034541 0.32081101 0.96601385
0.47509918 0.12500041 0.82600067
0.52336540 0.14974238 0.98053997
0.38842881 0.14325807 0.44724642
0.37279000 0.04717115 0.57396281
0.49043868 0.15032583 0.57311019
0.85600604 0.44213632 0.84476375
0.07350611 0.55366578 0.71975081
0.02935734 0.46948200 0.84209234
1.00303573 0.19123465 0.68764752
0.09638677 0.20478801 0.82070482
0.04814403 0.33367589 0.73969794
0.33675765 0.47826984 0.55592060
0.48289887 0.49154993 0.52292775
0.38189326 0.57997585 0.44272933
0.35349711 0.89389256 0.36493648
0.32088295 0.79624201 0.23822683
0.42181004 0.75574165 0.35527238
0.30093624 0.85207043 0.07045870
0.15675284 0.79841012 0.08268590
0.19112532 0.90150958 0.96952127
0.26080809 0.91040430 0.55499666
0.14118207 0.00025202 0.55501493
0.12893849 0.84523370 0.59031162
No title
1
14.522066 -0.315526 -0.464911
-0.314958 13.777389 -0.011640
-0.467866 -0.008055 13.511901
C H O N F
110 60 25 10 30
Direct configuration= 81
0.07571254 0.03964182 0.95362906
0.92884467 0.01839837 0.75772491
0.95119888 0.94083215 0.82543142
0.02243907 0.95349644 0.92287046
0.06628132 0.05982399 0.05528766
0.97450212 0.92154717 0.01425929
0.95233409 -0.00574214 0.65965889
0.99147935 0.86479226 0.75941607
0.96363533 0.98634561 0.17982478
0.94524830 0.07567377 0.22031919
0.88644192 0.08171372 0.29694980
0.93047266 0.89977270 0.22098441
0.86858711 0.90459869 0.29381282
0.84287581 0.99421243 0.32787113
0.71066280 0.05366907 0.39608495
0.70684237 0.10887824 0.48442221
0.64799631 0.18747294 0.48854987
0.65004801 0.07024162 0.31554239
0.58672776 0.14261749 0.32351461
0.58837598 0.20340789 0.40731274
0.87899410 0.18288496 0.33829921
0.75670987 0.08032534 0.56898068
0.84544148 0.47306887 0.09424805
0.85480841 0.57603140 0.13748149
0.92035773 0.60194880 0.05493943
0.89648001 0.50254694 0.00710700
0.76956929 0.40558219 0.06855062
0.81617211 0.50010203 0.92617995
0.91346327 0.57923325 0.23384878
0.01408808 0.59675945 0.10693465
0.67659449 0.39231263 0.90575230
0.59241989 0.34454335 0.94609698
0.54158738 0.27906008 0.86813053
0.66981274 0.42002527 0.80329854
0.60332400 0.38135310 0.73704715
0.53410402 0.31318432 0.76619563
0.38154534 0.26419072 0.68341744
0.34511221 0.21098186 0.60030639
0.25149304 0.21547723 0.57166221
0.32279581 0.30787973 0.74467989
0.23095953 0.31458237 0.71261325
0.19505868 0.27223533 0.62401113
0.51399388 0.18820992 0.89086253
0.39984202 0.13973898 0.54932230
0.75138522 0.83830154 0.72672695
0.66468465 0.84986548 0.79003685
0.60662074 0.85099117 0.69043168
0.68797806 0.82489660 0.63191537
0.80229018 0.74657138 0.73658055
0.69385642 0.72207253 0.60049865
0.65826767 0.95230428 0.83213727
0.59501716 0.95748279 0.67173319
0.80699688 0.59548422 0.63630716
0.89661537 0.57963042 0.67147009
0.92365942 0.48381216 0.69252405
0.75375687 0.51866218 0.59042076
0.78304015 0.42481298 0.60331773
0.85871402 0.40380643 0.66745217
0.85862806 0.26757982 0.78662174
0.94139961 0.24264426 0.83499872
0.94203572 0.20346076 0.93043915
0.77566112 0.23697523 0.82397711
0.77633441 0.18912549 0.91518983
0.85887044 0.17702315 0.97121789
0.00824071 0.49475622 0.75148063
0.02190157 0.24253176 0.77312363
0.55345789 0.44456670 0.95993678
0.47549552 0.43654945 0.12673429
0.54548195 0.51983312 0.13083270
0.58493936 0.53066822 0.02531881
0.49904960 0.48134578 0.87962468
0.54441022 0.61863528 0.96874674
0.50845031 0.35781460 0.18084419
0.61700071 0.48537683 0.20610688
0.47235378 0.63330474 0.79189277
0.46501662 0.58166099 0.70215673
0.42226419 0.61769067 0.61626963
0.44601877 0.72928874 0.79222467
0.40966043 0.76883526 0.70402825
0.39395705 0.71328562 0.61776687
0.27589311 0.72601651 0.49001645
0.26130183 0.74949722 0.38988927
0.17390965 0.73052473 0.34300403
0.20738495 0.67853138 0.54134574
0.12090778 0.65921189 0.49379089
0.10338289 0.68743202 0.39574013
0.40554881 0.54409373 0.53316863
0.33915097 0.79810054 0.33768468
0.21147525 0.39684250 0.18855511
0.29759583 0.34273114 0.22696563
0.28806459 0.27560889 0.13580014
0.19652894 0.32644493 0.10024915
0.24429315 0.49213493 0.14611452
0.20746046 0.38891977 0.01045418
0.28485382 0.27782544 0.31425239
0.28518147 0.17345191 0.17719222
0.25509612 0.56162133 0.97592879
0.24958230 0.65509008 0.01251372
0.23901743 0.73637369 0.95212462
0.26112208 0.55032246 0.87375401
0.25583724 0.63142459 0.81364522
0.24244900 0.72517371 0.84850501
0.25450821 0.88929667 0.78032954
0.21282951 0.95368425 0.71089682
0.21569611 0.05203295 0.73579331
0.31640700 0.92696845 0.85485447
0.31984961 0.02561804 0.87711231
0.26468782 0.08758678 0.82112592
0.22274841 0.82234530 0.01642251
0.18502306 0.92783211 0.60490425
0.12590739 0.07919875 0.91170810
0.89494995 0.08356697 0.77633503
0.89198675 0.90827179 0.86298239
0.06584938 0.89389054 0.90252221
0.97796979 0.14131302 0.19196625
0.94966113 0.83055083 0.19207691
0.83651146 0.83910072 0.32401844
0.64295133 0.22185782 0.56067984
0.65168963 0.02731222 0.24801127
0.53516485 0.15426504 0.26320155
0.53672293 0.25793982 0.41117735
0.00650689 0.86447449 0.60754971
0.73886357 0.51318749 0.27636130
0.79146882 0.61580873 0.14035960
0.90989822 0.66628460 0.00831809
0.95331890 0.45953568 0.98489598
0.60769536 0.30567639 0.01525258
0.72166761 0.47108538 0.77780849
0.60028984 0.40289351 0.65953341
0.22305861 0.17370959 0.50781539
0.34826510 0.33909299 0.81498021
0.18865002 0.35198623 0.76168845
0.12289090 0.27770648 0.59891156
0.06003021 0.58630827 0.25858440
0.80017476 0.90128373 0.73210772
0.65352151 0.79362392 0.84573755
0.54262826 0.80794198 0.67732352
0.69738389 0.86931198 0.56613675
0.94111982 0.64062802 0.69908589
0.68803847 0.53334140 0.55120615
0.73984208 0.36357933 0.57381540
1.00771223 0.19162132 0.97036873
0.71072133 0.24067049 0.77883922
0.71172571 0.15929927 0.94186392
0.85800197 0.14271029 0.04386275
0.62197427 0.09072508 0.74737612
0.43730994 0.36301386 1.00110669
0.40483037 0.44356139 0.09831650
0.52150321 0.59065174 0.15388950
0.66000933 0.54750863 0.02907539
0.48855733 0.50896217 0.69840040
0.45566696 0.77201923 0.86011167
0.39240114 0.84482746 0.70055097
0.16198229 0.74983858 0.26522439
0.21871454 0.66588779 0.62025724
0.06547957 0.62625564 0.53483875
0.03324900 0.67786192 0.36292091
0.64466466 0.35068774 0.26542865
0.15734748 0.40604406 0.24010775
0.35973926 0.38966758 0.24205136
0.34089594 0.27911769 0.08275978
0.13501700 0.27795111 0.09113600
0.24788507 0.66511025 0.09171159
0.26942834 0.48004141 0.84039374
0.26270969 0.62207045 0.73482465
0.17923411 0.10110797 0.68593905
0.35447643 0.87762754 0.90326837
0.36144448 0.05188580 0.94230660
0.26207014 0.16376873 0.84084698
0.28308918 0.12398733 0.32528231
0.09759672 0.12903599 0.10777503
0.91503930 0.85638020 0.01927868
0.95255892 0.04029978 0.58118426
0.03610074 0.79492654 0.78691082
0.77712123 0.98691852 0.39695962
0.72531433 0.34671274 0.11834809
0.77823631 0.57564817 0.89789860
0.88601437 0.56659997 0.31729220
0.08686655 0.58807542 0.06873710
0.47638649 0.28295856 0.69168204
0.85921003 0.72485764 0.80145464
0.64249061 0.67710897 0.53961045
0.68315970 0.97994343 0.91631812
0.57555157 0.99066539 0.58915984
0.86307572 0.30776130 0.69095458
0.45297260 0.43392901 0.81393193
0.54730372 0.70248062 0.99832387
0.48276428 0.27241681 0.19462546
0.68820662 0.54229324 0.23536152
0.35905938 0.75845503 0.53443181
0.27314842 0.56297673 0.19498021
0.18769638 0.36551780 0.92438193
0.28121941 0.30568207 0.39957456
0.29351601 0.09709938 0.13370675
0.23155594 0.79160924 0.77220324
0.00815743 0.98296481 0.09168128
0.97343908 0.89380905 0.66353740
0.75147496 0.41877366 0.96372656
0.00419738 0.59202076 0.20920704
0.77243109 0.68677706 0.65204930
0.62092445 0.00973927 0.75649925
0.50390203 0.58399535 0.87841463
0.59827899 0.39616777 0.23234304
0.24415395 0.48210645 0.04159912
0.27928530 0.18258011 0.27958957
0.80043339 0.22741354 0.30320296
0.95089364 0.24313998 0.31337785
0.88019650 0.18511912 0.43908127
0.78388062 0.99264242 0.58141072
0.62176365 0.18142867 0.70973837
0.77713687 0.13440389 0.64564081
0.39033604 0.32086469 0.96604533
0.47511265 0.12497933 0.82601664
0.52337405 0.14973110 0.98056912
0.38836875 0.14319053 0.44721563
0.37287449 0.04713380 0.57399136
0.49045281 0.15037691 0.57301846
0.85596504 0.44224076 0.84472543
0.07351971 0.55368605 0.71974734
0.02934717 0.46945263 0.84204696
1.00317439 0.19111834 0.68770530
0.09651125 0.20490652 0.82077018
0.04815744 0.33366640 0.73957723
0.33677994 0.47829475 0.55586562
0.48294108 0.49148822 0.52294676
0.38201089 0.57997628 0.44269416
0.35348187 0.89390516 0.36491885
0.32085155 0.79626274 0.23818297
0.42179611 0.75574951 0.35521822
0.30105070 0.85214307 0.07039087
0.15690030 0.79844729 0.08279523
0.19111637 0.90149617 0.96953366
0.26078016 0.91041791 0.55498331
0.14111929 0.00021083 0.55507015
0.12896333 0.84518764 0.59039650
No title
1
14.522442 -0.315085 -0.465145
-0.314604 13.776048 -0.012500
-0.468167 -0.008918 13.510263
C H O N F
110 60 25 10 30
Direct configuration= 82
0.07564201 0.03956092 0.95361193
0.92879756 0.01829314 0.75768601
0.95116772 0.94072412 0.82539950
0.02239152 0.95337755 0.92285998
0.06624000 0.05974352 0.05531255
0.97451022 0.92144790 0.01426801
0.95221337 -0.00584245 0.65960923
0.99146641 0.86464961 0.75936075
0.96360802 0.98626582 0.17986083
0.94523825 0.07562412 0.22035846
0.88642940 0.08169300 0.29699077
0.93043441 0.89971038 0.22103545
0.86854669 0.90456242 0.29386953
0.84284766 0.99420865 0.32792043
0.71062496 0.05369896 0.39607310
0.70678239 0.10897273 0.48438923
0.64796850 0.18759751 0.48844660
0.65003021 0.07023260 0.31549102
0.58672130 0.14262892 0.32340282
0.58835762 0.20349626 0.40716904
0.87899595 0.18288659 0.33834891
0.75661455 0.08042334 0.56900528
0.84542253 0.47308557 0.09428490
0.85478817 0.57603177 0.13758813
0.92033206 0.60198344 0.05504651
0.89645132 0.50259904 0.00714818
0.76953005 0.40561490 0.06858604
0.81610824 0.50018316 0.92621754
0.91343469 0.57915973 0.23396990
0.01406705 0.59677976 0.10705256
0.67655637 0.39232525 0.90578787
0.59238763 0.34456001 0.94614930
0.54154667 0.27905756 0.86818178
0.66977226 0.42002166 0.80331619
0.60327827 0.38131486 0.73706214
0.53407873 0.31314590 0.76621678
0.38152398 0.26415955 0.68341019
0.34510046 0.21090798 0.60027181
0.25149531 0.21543523 0.57161097
0.32277764 0.30790905 0.74460685
0.23097306 0.31468653 0.71249862
0.19507644 0.27227294 0.62387387
0.51398940 0.18819201 0.89091021
0.39985669 0.13968757 0.54927559
0.75135608 0.83826170 0.72662637
0.66466835 0.84982264 0.78995343
0.60658768 0.85092653 0.69034288
0.68794688 0.82486386 0.63179623
0.80223361 0.74654001 0.73643959
0.69386590 0.72203949 0.60030143
0.65825532 0.95227300 0.83203652
0.59493156 0.95742750 0.67165296
0.80700598 0.59544139 0.63617136
0.89663441 0.57962219 0.67130964
0.92371081 0.48381540 0.69241100
0.75374697 0.51857179 0.59036173
0.78306575 0.42472892 0.60327640
0.85878937 0.40377945 0.66736118
0.85881414 0.26760214 0.78655924
0.94156064 0.24269121 0.83496740
0.94220037 0.20354290 0.93044095
0.77582244 0.23703108 0.82390345
0.77650051 0.18922266 0.91515538
0.85901118 0.17713656 0.97120492
0.00825573 0.49476506 0.75139554
0.02208628 0.24254029 0.77312229
0.55347335 0.44461607 0.95997892
0.47546087 0.43665970 0.12679459
0.54546541 0.51993114 0.13089473
0.58496621 0.53072414 0.02538537
0.49906490 0.48140669 0.87965440
0.54451229 0.61871640 0.96877609
0.50838712 0.35791871 0.18096241
0.61696004 0.48548553 0.20621763
0.47243852 0.63336615 0.79189676
0.46517576 0.58169968 0.70214809
0.42238151 0.61768179 0.61624717
0.44601686 0.72932421 0.79221968
0.40964404 0.76883872 0.70400291
0.39398871 0.71325226 0.61773391
0.27591063 0.72595295 0.48996002
0.26128876 0.74949944 0.38982796
0.17387882 0.73059633 0.34297208
0.20742325 0.67842555 0.54126209
0.12092418 0.65917947 0.49374078
0.10335874 0.68751037 0.39570611
0.40567430 0.54407129 0.53313116
0.33911968 0.79812031 0.33761610
0.21144095 0.39684446 0.18861977
0.29753561 0.34269540 0.22702587
0.28799929 0.27557708 0.13583264
0.19645644 0.32642770 0.10030528
0.24428299 0.49211276 0.14616375
0.20737714 0.38889828 0.01050040
0.28471921 0.27777899 0.31427675
0.28512201 0.17336175 0.17718845
0.25507103 0.56159142 0.97596766
0.24958619 0.65506655 0.01255473
0.23906865 0.73636484 0.95217176
0.26111816 0.55027182 0.87377536
0.25587056 0.63138818 0.81366656
0.24250515 0.72515014 0.84853450
0.25456729 0.88929857 0.78038737
0.21288823 0.95369033 0.71096390
0.21576309 0.05205632 0.73585579
0.31646510 0.92697101 0.85493785
0.31988970 0.02562850 0.87721441
0.26475340 0.08761063 0.82122250
0.22287991 0.82238486 0.01646354
0.18500709 0.92779878 0.60498028
0.12578698 0.07914686 0.91167100
0.89494862 0.08350397 0.77633649
0.89195742 0.90814079 0.86293642
0.06581785 0.89377795 0.90250697
0.97797722 0.14125205 0.19200646
0.94960922 0.83046244 0.19214291
0.83646049 0.83908117 0.32408384
0.64291594 0.22205249 0.56055049
0.65168465 0.02725382 0.24797877
0.53515801 0.15424410 0.26306705
0.53671717 0.25804117 0.41098404
0.00639703 0.86435766 0.60744405
0.73881313 0.51329168 0.27650956
0.79145405 0.61581845 0.14049049
0.90987584 0.66635375 0.00846842
0.95327282 0.45958684 0.98488997
0.60766681 0.30570604 0.01531752
0.72161516 0.47107543 0.77781583
0.60024358 0.40283725 0.65953194
0.22305716 0.17363553 0.50775350
0.34825177 0.33916447 0.81492723
0.18866480 0.35218315 0.76150074
0.12293202 0.27780768 0.59872489
0.05999718 0.58621477 0.25872385
0.80013964 0.90125269 0.73202347
0.65352385 0.79358509 0.84566901
0.54261459 0.80784490 0.67723811
0.69732116 0.86931226 0.56602994
0.94114379 0.64065245 0.69888094
0.68800532 0.53322119 0.55117829
0.73987666 0.36346444 0.57380631
1.00785998 0.19172817 0.97039837
0.71089076 0.24072148 0.77876419
0.71187674 0.15942224 0.94182560
0.85814168 0.14286380 0.04387856
0.62192792 0.09069082 0.74734050
0.43726066 0.36310568 1.00126543
0.40478568 0.44370500 0.09842671
0.52149365 0.59077142 0.15393082
0.66003934 0.54752292 0.02918776
0.48881204 0.50903262 0.69840123
0.45561455 0.77207198 0.86011700
0.39234165 0.84482218 0.70050720
0.16192400 0.74996637 0.26519611
0.21879213 0.66567853 0.62017152
0.06550799 0.62619980 0.53477929
0.03321017 0.67802501 0.36291580
0.64456873 0.35079512 0.26561391
0.15733403 0.40608239 0.24019572
0.35968954 0.38960490 0.24215903
0.34081720 0.27909580 0.08277165
0.13494136 0.27793648 0.09122153
0.24787791 0.66509697 0.09176500
0.26941150 0.47998128 0.84041934
0.26275597 0.62201925 0.73483714
0.17931009 0.10113613 0.68600229
0.35453310 0.87762968 0.90334812
0.36146863 0.05189199 0.94244343
0.26213723 0.16379826 0.84094943
0.28290391 0.12392496 0.32529800
0.09756810 0.12892973 0.10778701
0.91503924 0.85618874 0.01930495
0.95237919 0.04018537 0.58112057
0.03607988 0.79485479 0.78681094
0.77708921 0.98694304 0.39700624
0.72524551 0.34680191 0.11841469
0.77811893 0.57574786 0.89804862
0.88597886 0.56649410 0.31741360
0.08685086 0.58819480 0.06885974
0.47636664 0.28290134 0.69170059
0.85918537 0.72478140 0.80138474
0.64257688 0.67710420 0.53934564
0.68321317 0.97995834 0.91624347
0.57540707 0.99060492 0.58908696
0.86327552 0.30773136 0.69086439
0.45296284 0.43400284 0.81396220
0.54747519 0.70258300 0.99832689
0.48268051 0.27255176 0.19477198
0.68816488 0.54239509 0.23548888
0.35907817 0.75839453 0.53437382
0.27320901 0.56296448 0.19504240
0.18759282 0.36549548 0.92440468
0.28101871 0.30565610 0.39963026
0.29350384 0.09709051 0.13374542
0.23162761 0.79159909 0.77223841
0.00812738 0.98286512 0.09170111
0.97335350 0.89368699 0.66345734
0.75145972 0.41878064 0.96374858
0.00416533 0.59192834 0.20933626
0.77242545 0.68674075 0.65189632
0.62086906 0.00969826 0.75642621
0.50397681 0.58406776 0.87843877
0.59820978 0.39628283 0.23247334
0.24409796 0.48208173 0.04163871
0.27914221 0.18253072 0.27961323
0.80041558 0.22740933 0.30329544
0.95086889 0.24314716 0.31338072
0.88025197 0.18513044 0.43914559
0.78368169 0.99271245 0.58149507
0.62176558 0.18144897 0.70980310
0.77707198 0.13454619 0.64563725
0.39031849 0.32097271 0.96610917
0.47513819 0.12493628 0.82604724
0.52339059 0.14971219 0.98062070
0.38824893 0.14305537 0.44715917
0.37304406 0.04706244 0.57404896
0.49047869 0.15047776 0.57283563
0.85588370 0.44244994 0.84464874
0.07354475 0.55372595 0.71974314
0.02933097 0.46938747 0.84197606
1.00344860 0.19088750 0.68781866
0.09674921 0.20514629 0.82089344
0.04818242 0.33364333 0.73933901
0.33682273 0.47834229 0.55575744
0.48302045 0.49136923 0.52298498
0.38224669 0.57997585 0.44262762
0.35345117 0.89392786 0.36488327
0.32078983 0.79630408 0.23810458
0.42176730 0.75576533 0.35511019
0.30126743 0.85228473 0.07024786
0.15719337 0.79852186 0.08301294
0.19109827 0.90147035 0.96955817
0.26072474 0.91044506 0.55495609
0.14099163 0.00013213 0.55517783
0.12901234 0.84509613 0.59056536
No title
1
14.522709 -0.314843 -0.465336
-0.314416 13.775224 -0.013055
-0.468404 -0.009475 13.509048
C H O N F
110 60 25 10 30
Direct configuration= 83
0.07559160 0.03950941 0.95361345
0.92876345 0.01823139 0.75765458
0.95113536 0.94063302 0.82539669
0.02236445 0.95329262 0.92284502
0.06620789 0.05967369 0.05530535
0.97447496 0.92133780 0.01428059
0.95213609 -0.00592328 0.65957239
0.99142791 0.86460540 0.75929419
0.96358909 0.98621645 0.17988590
0.94523206 0.07558695 0.22038311
0.88642197 0.08168089 0.29701811
0.93040754 0.89966170 0.22107053
0.86852078 0.90454522 0.29390706
0.84282915 0.99420110 0.32795317
0.71059483 0.05372071 0.39605617
0.70676751 0.10902100 0.48440322
0.64793978 0.18768910 0.48836983
0.65002224 0.07022114 0.31545583
0.58671469 0.14264174 0.32333038
0.58834689 0.20355360 0.40707060
0.87899548 0.18288684 0.33838229
0.75652656 0.08049957 0.56897555
0.84540646 0.47309527 0.09430997
0.85477574 0.57603087 0.13765845
0.92031728 0.60200962 0.05512442
0.89642566 0.50263182 0.00717146
0.76950511 0.40563550 0.06861548
0.81606582 0.50024466 0.92624438
0.91341657 0.57911039 0.23405096
0.01404560 0.59679450 0.10713771
0.67653088 0.39233552 0.90580739
0.59236659 0.34457115 0.94618528
0.54151907 0.27905707 0.86821365
0.66973864 0.42001281 0.80333083
0.60325393 0.38129446 0.73707170
0.53406103 0.31311767 0.76623610
0.38151240 0.26412782 0.68338899
0.34509909 0.21086469 0.60025995
0.25149553 0.21539718 0.57156424
0.32276910 0.30793860 0.74457653
0.23097468 0.31474999 0.71240426
0.19508997 0.27230852 0.62379753
0.51398634 0.18817953 0.89094302
0.39986476 0.13965143 0.54924231
0.75133295 0.83823668 0.72655513
0.66465631 0.84979242 0.78989610
0.60656595 0.85088249 0.69028144
0.68792481 0.82484178 0.63171335
0.80223759 0.74649549 0.73638595
0.69388386 0.72203203 0.60018231
0.65825578 0.95226080 0.83199654
0.59487288 0.95738765 0.67159796
0.80700867 0.59540804 0.63607633
0.89665291 0.57961941 0.67120314
0.92373823 0.48381541 0.69232967
0.75374187 0.51851454 0.59032326
0.78308100 0.42466876 0.60324705
0.85884459 0.40376211 0.66730183
0.85892911 0.26761793 0.78651478
0.94167720 0.24271901 0.83495388
0.94230395 0.20360050 0.93043693
0.77593927 0.23706837 0.82385821
0.77660552 0.18929028 0.91512571
0.85911537 0.17721261 0.97120070
0.00827295 0.49476954 0.75134633
0.02221540 0.24254863 0.77312208
0.55348420 0.44465073 0.96000880
0.47543812 0.43672989 0.12683630
0.54545399 0.51999699 0.13093659
0.58498409 0.53076150 0.02542992
0.49907502 0.48144895 0.87967401
0.54458123 0.61876805 0.96879395
0.50834585 0.35800811 0.18103727
0.61693251 0.48556114 0.20629232
0.47249693 0.63340393 0.79189831
0.46528345 0.58172875 0.70214418
0.42246173 0.61767320 0.61623081
0.44601512 0.72935123 0.79221661
0.40963267 0.76883916 0.70398333
0.39401008 0.71323364 0.61771339
0.27592351 0.72591288 0.48991362
0.26128243 0.74950017 0.38979356
0.17385634 0.73064659 0.34294490
0.20745047 0.67835183 0.54121431
0.12093305 0.65915953 0.49369769
0.10334302 0.68756138 0.39569109
0.40575900 0.54405587 0.53310488
0.33909848 0.79813429 0.33756797
0.21141632 0.39684505 0.18866338
0.29749571 0.34267022 0.22706428
0.28795473 0.27555158 0.13585320
0.19640769 0.32641587 0.10034376
0.24428282 0.49211474 0.14620714
0.20731743 0.38888033 0.01051753
0.28462547 0.27775152 0.31432298
0.28507440 0.17337450 0.17722326
0.25505461 0.56156777 0.97598785
0.24958865 0.65505425 0.01258771
0.23910385 0.73635733 0.95220055
0.26111496 0.55024195 0.87379400
0.25589390 0.63135948 0.81368010
0.24254302 0.72513808 0.84855800
0.25461054 0.88930032 0.78043098
0.21292649 0.95369774 0.71100626
0.21581272 0.05206981 0.73590468
0.31650185 0.92697263 0.85499092
0.31992026 0.02563509 0.87728781
0.26479369 0.08762583 0.82128141
0.22297235 0.82241246 0.01649421
0.18499720 0.92777407 0.60503385
0.12570686 0.07911306 0.91164263
0.89494828 0.08345876 0.77633818
0.89194808 0.90805727 0.86289944
0.06579302 0.89370561 0.90249789
0.97798183 0.14121060 0.19203409
0.94957324 0.83040454 0.19218777
0.83642484 0.83906514 0.32412918
0.64289238 0.22218462 0.56046320
0.65168126 0.02721460 0.24795781
0.53515376 0.15422964 0.26297509
0.53671237 0.25811070 0.41085242
0.00632401 0.86427780 0.60736913
0.73877776 0.51336327 0.27660930
0.79144247 0.61582545 0.14057971
0.90986028 0.66640135 0.00857002
0.95324376 0.45962049 0.98488449
0.60764739 0.30572647 0.01536155
0.72158179 0.47107081 0.77781928
0.60021210 0.40279797 0.65953263
0.22305821 0.17358733 0.50771635
0.34824030 0.33921028 0.81488372
0.18867377 0.35231873 0.76137563
0.12295894 0.27787573 0.59859738
0.05997467 0.58615101 0.25881889
0.80011671 0.90123142 0.73196623
0.65352577 0.79355930 0.84562178
0.54260521 0.80777888 0.67717979
0.69727883 0.86931170 0.56595767
0.94115763 0.64066662 0.69874063
0.68798232 0.53313878 0.55115922
0.73990118 0.36338734 0.57380087
1.00796317 0.19180066 0.97042012
0.71100389 0.24075651 0.77871222
0.71198099 0.15950600 0.94179930
0.85823612 0.14296880 0.04388775
0.62189617 0.09066834 0.74731649
0.43722606 0.36316764 1.00137321
0.40475533 0.44380294 0.09850213
0.52148699 0.59085322 0.15395889
0.66006005 0.54753284 0.02926369
0.48898547 0.50907930 0.69840177
0.45557908 0.77210752 0.86012008
0.39230125 0.84481888 0.70047738
0.16188477 0.75005319 0.26517952
0.21884438 0.66553667 0.62010903
0.06552668 0.62616125 0.53473993
0.03318320 0.67813599 0.36291187
0.64450284 0.35086983 0.26573942
0.15732444 0.40610851 0.24025536
0.35965497 0.38956217 0.24223210
0.34076360 0.27908170 0.08278006
0.13488993 0.27792722 0.09127895
0.24787334 0.66508735 0.09179965
0.26940021 0.47993885 0.84043582
0.26278713 0.62198528 0.73484666
0.17936042 0.10115691 0.68604356
0.35457258 0.87763043 0.90340304
0.36148435 0.05189554 0.94253449
0.26218297 0.16381955 0.84101964
0.28277778 0.12388354 0.32531034
0.09755453 0.12887153 0.10780700
0.91507473 0.85609841 0.01931880
0.95225551 0.04011006 0.58107909
0.03609344 0.79476071 0.78676243
0.77706694 0.98695923 0.39704051
0.72520139 0.34686626 0.11845535
0.77804084 0.57580905 0.89815279
0.88595340 0.56642163 0.31749807
0.08684561 0.58827511 0.06894014
0.47635029 0.28286168 0.69171302
0.85913050 0.72474448 0.80129391
0.64262192 0.67708845 0.53914881
0.68324187 0.97995963 0.91616636
0.57530921 0.99056495 0.58903594
0.86341116 0.30771070 0.69080238
0.45295612 0.43405313 0.81398258
0.54759113 0.70265492 0.99832970
0.48262025 0.27263017 0.19487377
0.68813758 0.54246380 0.23557543
0.35909127 0.75835198 0.53433564
0.27324414 0.56294151 0.19507524
0.18752576 0.36548413 0.92443225
0.28088313 0.30563095 0.39964100
0.29350207 0.09702038 0.13373558
0.23167562 0.79159069 0.77226254
0.00810666 0.98279833 0.09171628
0.97329192 0.89360923 0.66341133
0.75144623 0.41878497 0.96376145
0.00414310 0.59186516 0.20942170
0.77242233 0.68671923 0.65179578
0.62083075 0.00967081 0.75637460
0.50402816 0.58411759 0.87845616
0.59816519 0.39635733 0.23256449
0.24405953 0.48206451 0.04166846
0.27904516 0.18249523 0.27962686
0.80040418 0.22740609 0.30335819
0.95085278 0.24315197 0.31338280
0.88028939 0.18513798 0.43919046
0.78354872 0.99275451 0.58155623
0.62176781 0.18146118 0.70984692
0.77703333 0.13465185 0.64564968
0.39030750 0.32104707 0.96615309
0.47515543 0.12490784 0.82606872
0.52340162 0.14969934 0.98065683
0.38816747 0.14296231 0.44712157
0.37316049 0.04701323 0.57408943
0.49049723 0.15054658 0.57271204
0.85582783 0.44259394 0.84459790
0.07356142 0.55375455 0.71974082
0.02931819 0.46934336 0.84192198
1.00363465 0.19073058 0.68789535
0.09690884 0.20530850 0.82097648
0.04819901 0.33362592 0.73917803
0.33685330 0.47837595 0.55568371
0.48307600 0.49128828 0.52301099
0.38240812 0.57997558 0.44258340
0.35343028 0.89394334 0.36485908
0.32074786 0.79633262 0.23805128
0.42174709 0.75577623 0.35503627
0.30141444 0.85238099 0.07015041
0.15739265 0.79857264 0.08316154
0.19108627 0.90145280 0.96957473
0.26068635 0.91046410 0.55493802
0.14090437 0.00007940 0.55525163
0.12904652 0.84503386 0.59068058
No title
1
14.523267 -0.314377 -0.465591
-0.314046 13.773847 -0.014008
-0.468737 -0.010431 13.507286
C H O N F
110 60 25 10 30
Direct configuration= 84
0.07549651 0.03940060 0.95359232
0.92869676 0.01811999 0.75767758
0.95111929 0.94052547 0.82532573
0.02231350 0.95318835 0.92284165
0.06615201 0.05955856 0.05530424
0.97445673 0.92119438 0.01429192
0.95201731 -0.00606438 0.65948120
0.99138933 0.86447942 0.75923123
0.96356305 0.98613709 0.17991875
0.94521834 0.07552426 0.22042793
0.88641091 0.08166617 0.29706200
0.93036025 0.89958851 0.22113234
0.86847775 0.90451609 0.29396889
0.84280153 0.99418102 0.32800318
0.71056236 0.05375333 0.39606747
0.70666883 0.10913827 0.48430928
0.64791398 0.18782235 0.48825584
0.64999975 0.07021627 0.31540224
0.58669712 0.14265707 0.32319477
0.58834341 0.20363710 0.40691558
0.87899772 0.18288358 0.33843678
0.75645337 0.08061446 0.56907173
0.84537924 0.47311019 0.09435295
0.85474630 0.57603003 0.13777342
0.92029154 0.60205325 0.05524735
0.89638353 0.50268313 0.00720794
0.76948148 0.40568972 0.06864620
0.81600049 0.50033867 0.92629151
0.91338367 0.57902851 0.23419064
0.01401816 0.59681830 0.10727258
0.67648821 0.39234992 0.90584648
0.59233167 0.34459031 0.94623985
0.54147598 0.27906015 0.86826723
0.66968405 0.42000193 0.80334347
0.60321749 0.38126301 0.73708954
0.53403253 0.31306869 0.76626783
0.38149462 0.26407829 0.68335838
0.34509339 0.21079229 0.60023810
0.25149998 0.21533621 0.57149243
0.32275269 0.30798543 0.74452247
0.23098163 0.31485483 0.71225395
0.19511024 0.27236479 0.62367117
0.51397894 0.18815764 0.89099123
0.39987776 0.13959142 0.54919256
0.75130137 0.83819634 0.72644172
0.66463776 0.84974324 0.78980293
0.60652902 0.85081096 0.69018088
0.68789019 0.82480328 0.63158077
0.80219782 0.74644899 0.73625266
0.69389586 0.72199949 0.59996474
0.65824819 0.95223376 0.83190337
0.59478077 0.95732273 0.67151738
0.80701571 0.59536082 0.63592533
0.89667951 0.57961749 0.67102763
0.92379011 0.48381983 0.69219837
0.75373257 0.51841067 0.59025848
0.78310805 0.42458047 0.60320062
0.85892916 0.40371566 0.66720549
0.85910527 0.26764406 0.78644043
0.94187720 0.24276273 0.83493073
0.94246616 0.20369220 0.93043560
0.77613674 0.23713078 0.82378564
0.77676822 0.18939822 0.91507872
0.85929335 0.17733915 0.97119181
0.00830370 0.49477383 0.75127921
0.02241460 0.24256208 0.77312024
0.55350112 0.44470715 0.96005484
0.47540202 0.43684545 0.12690353
0.54543582 0.52010807 0.13100581
0.58501323 0.53082138 0.02550031
0.49909827 0.48152242 0.87971677
0.54469326 0.61886189 0.96882593
0.50827785 0.35814271 0.18116311
0.61688097 0.48566986 0.20641474
0.47259141 0.63347046 0.79190187
0.46545835 0.58177509 0.70213578
0.42259316 0.61765882 0.61620549
0.44601295 0.72939299 0.79221081
0.40961494 0.76883807 0.70395217
0.39404530 0.71320288 0.61767995
0.27594879 0.72584934 0.48983944
0.26127304 0.74950313 0.38973526
0.17382042 0.73072960 0.34290033
0.20749282 0.67823129 0.54113803
0.12094681 0.65912629 0.49362908
0.10331658 0.68764428 0.39566662
0.40589727 0.54403241 0.53306533
0.33906208 0.79815666 0.33749460
0.21137467 0.39684738 0.18873593
0.29742922 0.34262998 0.22713036
0.28788351 0.27551498 0.13588568
0.19632939 0.32639917 0.10040475
0.24427169 0.49209097 0.14626072
0.20722791 0.38885958 0.01058032
0.28447472 0.27769993 0.31435278
0.28500399 0.17331410 0.17723865
0.25502811 0.56152454 0.97602074
0.24959300 0.65503834 0.01264103
0.23916198 0.73634521 0.95225161
0.26110975 0.55019670 0.87382554
0.25593212 0.63131353 0.81370444
0.24260505 0.72511704 0.84859601
0.25467976 0.88929853 0.78050117
0.21298964 0.95370865 0.71107812
0.21589271 0.05209550 0.73598373
0.31656097 0.92697926 0.85507650
0.31997436 0.02564361 0.87741145
0.26485658 0.08764960 0.82137366
0.22311877 0.82245776 0.01653877
0.18497913 0.92773513 0.60511854
0.12557839 0.07906180 0.91159540
0.89494734 0.08338487 0.77633653
0.89189987 0.90790581 0.86285750
0.06576475 0.89357307 0.90247713
0.97799074 0.14114494 0.19207766
0.94951570 0.83030633 0.19225823
0.83636774 0.83904068 0.32420218
0.64285129 0.22240125 0.56031984
0.65167613 0.02714668 0.24791753
0.53515318 0.15420467 0.26283214
0.53669752 0.25823035 0.41063728
0.00620085 0.86415283 0.60725555
0.73872655 0.51347630 0.27677701
0.79142753 0.61583386 0.14072472
0.90983517 0.66647742 0.00873712
0.95319547 0.45967622 0.98487498
0.60761649 0.30575911 0.01543477
0.72152548 0.47106069 0.77782608
0.60016158 0.40273357 0.65953382
0.22305945 0.17350646 0.50765590
0.34822280 0.33928696 0.81481500
0.18868842 0.35253988 0.76117161
0.12300345 0.27798572 0.59839081
0.05993443 0.58604738 0.25897052
0.80007748 0.90119335 0.73187181
0.65352865 0.79351682 0.84554426
0.54259085 0.80767181 0.67708425
0.69721137 0.86931235 0.56583754
0.94118038 0.64068884 0.69851175
0.68794446 0.53300527 0.55112874
0.73994002 0.36325862 0.57379153
1.00813175 0.19191919 0.97045588
0.71118555 0.24081352 0.77862651
0.71215294 0.15964291 0.94175571
0.85838948 0.14313861 0.04390492
0.62184487 0.09063085 0.74727683
0.43717061 0.36326991 1.00155006
0.40470500 0.44396257 0.09862482
0.52147634 0.59098465 0.15400318
0.66009422 0.54754917 0.02938677
0.48926755 0.50915609 0.69840277
0.45552191 0.77216553 0.86012495
0.39223544 0.84481472 0.70042837
0.16182090 0.75019571 0.26515300
0.21892961 0.66530528 0.62000688
0.06555794 0.62609891 0.53467546
0.03313919 0.67831714 0.36290586
0.64439571 0.35099191 0.26594398
0.15730864 0.40615074 0.24035106
0.35959884 0.38949303 0.24235070
0.34067562 0.27905800 0.08279449
0.13480478 0.27791143 0.09137158
0.24786614 0.66507185 0.09185702
0.26938202 0.47986956 0.84046221
0.26283767 0.62193118 0.73486166
0.17944287 0.10118960 0.68611169
0.35463830 0.87763065 0.90349330
0.36150933 0.05190077 0.94268119
0.26225751 0.16385488 0.84113426
0.28257201 0.12381507 0.32532773
0.09753467 0.12878529 0.10784452
0.91509905 0.85591711 0.01934666
0.95205590 0.03999260 0.58100572
0.03608864 0.79464793 0.78666112
0.77702695 0.98698983 0.39709238
0.72511671 0.34695283 0.11853656
0.77790989 0.57591521 0.89832121
0.88591405 0.56630455 0.31762760
0.08683213 0.58840606 0.06907312
0.47632378 0.28279645 0.69173271
0.85908255 0.72466502 0.80119355
0.64271495 0.67708063 0.53885014
0.68329637 0.97996877 0.91606442
0.57514724 0.99050105 0.58894661
0.86363159 0.30768778 0.69070021
0.45293979 0.43413009 0.81400774
0.54777839 0.70276150 0.99833158
0.48252530 0.27276617 0.19503818
0.68808994 0.54258328 0.23571088
0.35911099 0.75828235 0.53427143
0.27331022 0.56292581 0.19514432
0.18741030 0.36545888 0.92444652
0.28065832 0.30560161 0.39969947
0.29349159 0.09697694 0.13375825
0.23175398 0.79158158 0.77230105
0.00806935 0.98268506 0.09174213
0.97319718 0.89348010 0.66331777
0.75142460 0.41879287 0.96378386
0.00411178 0.59176108 0.20956761
0.77241817 0.68667655 0.65162697
0.62076696 0.00962301 0.75629039
0.50411171 0.58419673 0.87848268
0.59809443 0.39648785 0.23270962
0.24399855 0.48204085 0.04171531
0.27888653 0.18243942 0.27965180
0.80038310 0.22740182 0.30345818
0.95082753 0.24315973 0.31338557
0.88034930 0.18515029 0.43926115
0.78332630 0.99283566 0.58164710
0.62177056 0.18148249 0.70991839
0.77695615 0.13479209 0.64561453
0.39028701 0.32116747 0.96622278
0.47518394 0.12486384 0.82610615
0.52341994 0.14967844 0.98071896
0.38803314 0.14280840 0.44705957
0.37335179 0.04693439 0.57415719
0.49052870 0.15065927 0.57251052
0.85573714 0.44283093 0.84451476
0.07358547 0.55379955 0.71973944
0.02929519 0.46927314 0.84182210
1.00393875 0.19047542 0.68802024
0.09717045 0.20557066 0.82111269
0.04822783 0.33359701 0.73891671
0.33690241 0.47842957 0.55556382
0.48316618 0.49115663 0.52305373
0.38267186 0.57997622 0.44250859
0.35339652 0.89396982 0.36481936
0.32067899 0.79638002 0.23796189
0.42171668 0.75579322 0.35491484
0.30165435 0.85253900 0.06999319
0.15771628 0.79865406 0.08340820
0.19106629 0.90142579 0.96960205
0.26062475 0.91049567 0.55490838
0.14076282 -0.00000686 0.55537401
0.12910400 0.84493328 0.59086981
No title
1
14.523397 -0.314147 -0.465716
-0.313857 13.773194 -0.014408
-0.468893 -0.010833 13.506454
C H O N F
110 60 25 10 30
Direct configuration= 85
0.07546759 0.03937069 0.95358189
0.92867786 0.01806367 0.75763478
0.95109493 0.94046161 0.82532719
0.02228883 0.95311647 0.92283090
0.06613811 0.05953688 0.05533165
0.97446248 0.92114890 0.01429634
0.95195472 -0.00611535 0.65947805
0.99138359 0.86441062 0.75919791
0.96354672 0.98609284 0.17993981
0.94521505 0.07550389 0.22044550
0.88640339 0.08165052 0.29708308
0.93034455 0.89956111 0.22115305
0.86845631 0.90449213 0.29399828
0.84278682 0.99418679 0.32802934
0.71053596 0.05376953 0.39604615
0.70666908 0.10917125 0.48434174
0.64789553 0.18788719 0.48820175
0.64999390 0.07020856 0.31537816
0.58669890 0.14266152 0.32314517
0.58832664 0.20368627 0.40684087
0.87899781 0.18288556 0.33845919
0.75637464 0.08066559 0.56901468
0.84537071 0.47312037 0.09437199
0.85473853 0.57602785 0.13782649
0.92027793 0.60206917 0.05530204
0.89636733 0.50270876 0.00722576
0.76944984 0.40568947 0.06867618
0.81596992 0.50038280 0.92631051
0.91337086 0.57899333 0.23424266
0.01400836 0.59682812 0.10733308
0.67646902 0.39235622 0.90586279
0.59231624 0.34459866 0.94626670
0.54145521 0.27905598 0.86829333
0.66966918 0.42000303 0.80335529
0.60319085 0.38124064 0.73709408
0.53401980 0.31305194 0.76627649
0.38148145 0.26406987 0.68336603
0.34508540 0.21075072 0.60021568
0.25150061 0.21532080 0.57147577
0.32274374 0.30799434 0.74447480
0.23099205 0.31491189 0.71220802
0.19512005 0.27237546 0.62359400
0.51397824 0.18815302 0.89101743
0.39988648 0.13956620 0.54917075
0.75128586 0.83817506 0.72639096
0.66462988 0.84972212 0.78976085
0.60651374 0.85077896 0.69013673
0.68787517 0.82478738 0.63152030
0.80217668 0.74642781 0.73618889
0.69390720 0.72198822 0.59987418
0.65824279 0.95221705 0.83185444
0.59473528 0.95729806 0.67146656
0.80702176 0.59533665 0.63585809
0.89668694 0.57961102 0.67094722
0.92381841 0.48381993 0.69214441
0.75372720 0.51837018 0.59022963
0.78312184 0.42453335 0.60318112
0.85896595 0.40370929 0.66715852
0.85921348 0.26765384 0.78641350
0.94194310 0.24278904 0.83490932
0.94255776 0.20373349 0.93043799
0.77620351 0.23715726 0.82374676
0.77686143 0.18944515 0.91506807
0.85934896 0.17739504 0.97118376
0.00830487 0.49477945 0.75122738
0.02250917 0.24256558 0.77312152
0.55350917 0.44473219 0.96007525
0.47538415 0.43690157 0.12693160
0.54542743 0.52015415 0.13103527
0.58502706 0.53084917 0.02553268
0.49910084 0.48154694 0.87972323
0.54474343 0.61889332 0.96883776
0.50824487 0.35818677 0.18122326
0.61686466 0.48573111 0.20646817
0.47263334 0.63350084 0.79190446
0.46553716 0.58179364 0.70213150
0.42265092 0.61765660 0.61619486
0.44601278 0.72940981 0.79220825
0.40960663 0.76884199 0.70393972
0.39406095 0.71318419 0.61766210
0.27595483 0.72581481 0.48981775
0.26126447 0.74950554 0.38970077
0.17380583 0.73076451 0.34289025
0.20751171 0.67818212 0.54108892
0.12095737 0.65910947 0.49361100
0.10330493 0.68768570 0.39564443
0.40595949 0.54402087 0.53304608
0.33904787 0.79816724 0.33746026
0.21135743 0.39684762 0.18876731
0.29739919 0.34261278 0.22715823
0.28785096 0.27549925 0.13590184
0.19629294 0.32639025 0.10043342
0.24427233 0.49209540 0.14629559
0.20718191 0.38884364 0.01057508
0.28440667 0.27768138 0.31438343
0.28497311 0.17327823 0.17723941
0.25501583 0.56151690 0.97604454
0.24959583 0.65502160 0.01265918
0.23918745 0.73634294 0.95227654
0.26110876 0.55016667 0.87383381
0.25594832 0.63130092 0.81371570
0.24263340 0.72510352 0.84860958
0.25470661 0.88930177 0.78052643
0.21301962 0.95370947 0.71111330
0.21592295 0.05210673 0.73601025
0.31659263 0.92697910 0.85512156
0.31999023 0.02565067 0.87745577
0.26489340 0.08766119 0.82142764
0.22318386 0.82247828 0.01656095
0.18497275 0.92771909 0.60515755
0.12551480 0.07903399 0.91157816
0.89494290 0.08335808 0.77634120
0.89189320 0.90784417 0.86283123
0.06574632 0.89352181 0.90246972
0.97799359 0.14111290 0.19209799
0.94948928 0.83026339 0.19229038
0.83634350 0.83903243 0.32423341
0.64283384 0.22249681 0.56025516
0.65167399 0.02711825 0.24790334
0.53514776 0.15419532 0.26276201
0.53669787 0.25827660 0.41054103
0.00614846 0.86409416 0.60720152
0.73869934 0.51352932 0.27684794
0.79141853 0.61583834 0.14078933
0.90982395 0.66651187 0.00881154
0.95317310 0.45970147 0.98487112
0.60760272 0.30577465 0.01546626
0.72149877 0.47105473 0.77782973
0.60013964 0.40270511 0.65953353
0.22305860 0.17346673 0.50762517
0.34821772 0.33932546 0.81479274
0.18869738 0.35263615 0.76107675
0.12302476 0.27803496 0.59830041
0.05991929 0.58600062 0.25904040
0.80006153 0.90117785 0.73182963
0.65353005 0.79349751 0.84550954
0.54258426 0.80762397 0.67704135
0.69718121 0.86931162 0.56578455
0.94119242 0.64070095 0.69841072
0.68792865 0.53294499 0.55111588
0.73995820 0.36320296 0.57378778
1.00820071 0.19197282 0.97046908
0.71127232 0.24083909 0.77859278
0.71222449 0.15970199 0.94173760
0.85845900 0.14321452 0.04391302
0.62182127 0.09061371 0.74725879
0.43714500 0.36331482 1.00162843
0.40468407 0.44403327 0.09868017
0.52147138 0.59104384 0.15402312
0.66010873 0.54755621 0.02944124
0.48939283 0.50919158 0.69840374
0.45549650 0.77219165 0.86012697
0.39220660 0.84481105 0.70040645
0.16179200 0.75026055 0.26513845
0.21896824 0.66520110 0.61996676
0.06557239 0.62607160 0.53464554
0.03312099 0.67839801 0.36290441
0.64434845 0.35104642 0.26603533
0.15730065 0.40616969 0.24039389
0.35957343 0.38946223 0.24240354
0.34063728 0.27904755 0.08280017
0.13476806 0.27790516 0.09141223
0.24786311 0.66506545 0.09188561
0.26937339 0.47984311 0.84047610
0.26286019 0.62190711 0.73486878
0.17948087 0.10120270 0.68614410
0.35466602 0.87763280 0.90353095
0.36152298 0.05190444 0.94275003
0.26229032 0.16386853 0.84118423
0.28248016 0.12378476 0.32533527
0.09751190 0.12871724 0.10783667
0.91509556 0.85582033 0.01935934
0.95196674 0.03994098 0.58096699
0.03607550 0.79461153 0.78661147
0.77701415 0.98699819 0.39711739
0.72509385 0.34701117 0.11855646
0.77785171 0.57596193 0.89839754
0.88589434 0.56625123 0.31769273
0.08682373 0.58846479 0.06913372
0.47631763 0.28276780 0.69174305
0.85906354 0.72462866 0.80115202
0.64275251 0.67707396 0.53871160
0.68332327 0.97997545 0.91602525
0.57507880 0.99046749 0.58891942
0.86372855 0.30766863 0.69065854
0.45294049 0.43417137 0.81402867
0.54786216 0.70281853 0.99833538
0.48248671 0.27283947 0.19511021
0.68806957 0.54263059 0.23577384
0.35912202 0.75825265 0.53424285
0.27333455 0.56290681 0.19516710
0.18736565 0.36545616 0.92448258
0.28055802 0.30558371 0.39971007
0.29348617 0.09696538 0.13377282
0.23178917 0.79157616 0.77232051
0.00805582 0.98263533 0.09174861
0.97315390 0.89342213 0.66328024
0.75141667 0.41879714 0.96379313
0.00409267 0.59171481 0.20962862
0.77241433 0.68666093 0.65155188
0.62073933 0.00960363 0.75625460
0.50414880 0.58423367 0.87849409
0.59805942 0.39653854 0.23277511
0.24397009 0.48202633 0.04173538
0.27881603 0.18241583 0.27966198
0.80037566 0.22739867 0.30350348
0.95081549 0.24316205 0.31338750
0.88037601 0.18515551 0.43929252
0.78323111 0.99286401 0.58169489
0.62177343 0.18149107 0.70995049
0.77693450 0.13487885 0.64563782
0.39027865 0.32122209 0.96625445
0.47519548 0.12484239 0.82612122
0.52342782 0.14967082 0.98074384
0.38797309 0.14273920 0.44703471
0.37343714 0.04689955 0.57418852
0.49054061 0.15070928 0.57242024
0.85569701 0.44293648 0.84447685
0.07359796 0.55382106 0.71973966
0.02928922 0.46923630 0.84179457
1.00407387 0.19036112 0.68807582
0.09728473 0.20568824 0.82117118
0.04824026 0.33358270 0.73880030
0.33692462 0.47845400 0.55551016
0.48320607 0.49109871 0.52307326
0.38279009 0.57997637 0.44247662
0.35338129 0.89398121 0.36480155
0.32064814 0.79640138 0.23792459
0.42170214 0.75580141 0.35486025
0.30175912 0.85260926 0.06992166
0.15786182 0.79869094 0.08351705
0.19105745 0.90141294 0.96961511
0.26059671 0.91051013 0.55489503
0.14069902 -0.00004570 0.55542878
0.12912919 0.84488814 0.59095442
No title
1
14.523816 -0.313744 -0.465926
-0.313534 13.772043 -0.015189
-0.469172 -0.011617 13.504811
C H O N F
110 60 25 10 30
Direct configuration= 86
0.07539287 0.03930098 0.95358703
0.92862757 0.01797025 0.75759586
0.95105661 0.94033581 0.82531638
0.02225165 0.95300176 0.92281507
0.06608766 0.05942775 0.05530218
0.97441881 0.92099915 0.01431375
0.95184299 -0.00621505 0.65940598
0.99133302 0.86433486 0.75911134
0.96351906 0.98602234 0.17997372
0.94520573 0.07544897 0.22048013
0.88639356 0.08163292 0.29712111
0.93030482 0.89949287 0.22120402
0.86842096 0.90446694 0.29405008
0.84275963 0.99417404 0.32807727
0.71049664 0.05379914 0.39603097
0.70662487 0.10925197 0.48432592
0.64786036 0.18801399 0.48809508
0.64998136 0.07019269 0.31532772
0.58668921 0.14267846 0.32303973
0.58831313 0.20376580 0.40670239
0.87899849 0.18288540 0.33850688
0.75627620 0.08076719 0.56901835
0.84534870 0.47313707 0.09440426
0.85471942 0.57602668 0.13792765
0.92025428 0.60210180 0.05540860
0.89633854 0.50275750 0.00726374
0.76942148 0.40572940 0.06870260
0.81590672 0.50046579 0.92634791
0.91334061 0.57892136 0.23436462
0.01397832 0.59684793 0.10745157
0.67643329 0.39237128 0.90589127
0.59228556 0.34461470 0.94631792
0.54141752 0.27905809 0.86834021
0.66962220 0.41999190 0.80337284
0.60315399 0.38120713 0.73711124
0.53399856 0.31301528 0.76630126
0.38146671 0.26402460 0.68333677
0.34508353 0.21068869 0.60020106
0.25150262 0.21526569 0.57141235
0.32273097 0.30803772 0.74443139
0.23099598 0.31500157 0.71207471
0.19513912 0.27242490 0.62348786
0.51397277 0.18813399 0.89106583
0.39990005 0.13951399 0.54912665
0.75125558 0.83813760 0.72628986
0.66461340 0.84967935 0.78967747
0.60648310 0.85071652 0.69004810
0.68784516 0.82475539 0.63140229
0.80216656 0.74637124 0.73609704
0.69392387 0.72196630 0.59969215
0.65824037 0.95219804 0.83178603
0.59465532 0.95723691 0.67139975
0.80702671 0.59529108 0.63572479
0.89671168 0.57960394 0.67079474
0.92386118 0.48381967 0.69203028
0.75372092 0.51828431 0.59017541
0.78314417 0.42445016 0.60313881
0.85904345 0.40368346 0.66707560
0.85937179 0.26767563 0.78635026
0.94210949 0.24282706 0.83489080
0.94270138 0.20381503 0.93043366
0.77637361 0.23721012 0.82368503
0.77700511 0.18953980 0.91502575
0.85950184 0.17750516 0.97117920
0.00832415 0.49478722 0.75115335
0.02268751 0.24257448 0.77311922
0.55352420 0.44477970 0.96011518
0.47535420 0.43700039 0.12699000
0.54541199 0.52024677 0.13109283
0.58505290 0.53090225 0.02559450
0.49911877 0.48160988 0.87975511
0.54484127 0.61897696 0.96886663
0.50818829 0.35831756 0.18132862
0.61682422 0.48583220 0.20657358
0.47271587 0.63355612 0.79190671
0.46568975 0.58183486 0.70212618
0.42276499 0.61764532 0.61617276
0.44601087 0.72944807 0.79220280
0.40959124 0.76884185 0.70391241
0.39409210 0.71315653 0.61763324
0.27597400 0.72575926 0.48975083
0.26125574 0.74950744 0.38965358
0.17377467 0.73083782 0.34285255
0.20754995 0.67807916 0.54102149
0.12096929 0.65908237 0.49355012
0.10328284 0.68775863 0.39562488
0.40608217 0.54400017 0.53300975
0.33901770 0.79818782 0.33739218
0.21132263 0.39684998 0.18882803
0.29734030 0.34257738 0.22721422
0.28778672 0.27546517 0.13593157
0.19622392 0.32637460 0.10048511
0.24426040 0.49207116 0.14634102
0.20710740 0.38882951 0.01064287
0.28427491 0.27763542 0.31441456
0.28490719 0.17327660 0.17727886
0.25499289 0.56148124 0.97607570
0.24960016 0.65500732 0.01270654
0.23923776 0.73633397 0.95232002
0.26110468 0.55012803 0.87386068
0.25598186 0.63126004 0.81373672
0.24268762 0.72508755 0.84864559
0.25476922 0.88930409 0.78059131
0.21307388 0.95371933 0.71117436
0.21599248 0.05212635 0.73608005
0.31664400 0.92698107 0.85519630
0.32003495 0.02565941 0.87755929
0.26494984 0.08768422 0.82151094
0.22331189 0.82251700 0.01660498
0.18495818 0.92768577 0.60523405
0.12539647 0.07898421 0.91153851
0.89493836 0.08329624 0.77634595
0.89187302 0.90772145 0.86278448
0.06571298 0.89341746 0.90245470
0.97800021 0.14105460 0.19213662
0.94943760 0.83018184 0.19235202
0.83629326 0.83900938 0.32429708
0.64279872 0.22268367 0.56012837
0.65166999 0.02706268 0.24787567
0.53514339 0.15417482 0.26263114
0.53669098 0.25837401 0.41035298
0.00604575 0.86398222 0.60709476
0.73864951 0.51363153 0.27698919
0.79140178 0.61584606 0.14091584
0.90980168 0.66657888 0.00895751
0.95312953 0.45975076 0.98486205
0.60757577 0.30580467 0.01552808
0.72145196 0.47104778 0.77783445
0.60009644 0.40264888 0.65953211
0.22306105 0.17339524 0.50757598
0.34820245 0.33939298 0.81473113
0.18871062 0.35282924 0.76089892
0.12306411 0.27812934 0.59812183
0.05988607 0.58590960 0.25917486
0.80002945 0.90114532 0.73174683
0.65353294 0.79346024 0.84544121
0.54257189 0.80753055 0.67695727
0.69712319 0.86931044 0.56568048
0.94121239 0.64072109 0.69821144
0.68789586 0.53282781 0.55109006
0.73999328 0.36309238 0.57378055
1.00834611 0.19207621 0.97050040
0.71143066 0.24088935 0.77851996
0.71237190 0.15981943 0.94170106
0.85859273 0.14336321 0.04392687
0.62177585 0.09058088 0.74722398
0.43709558 0.36340367 1.00178257
0.40464059 0.44417234 0.09878764
0.52146183 0.59115873 0.15406109
0.66013793 0.54757022 0.02954697
0.48963797 0.50925899 0.69840523
0.45544720 0.77224197 0.86013030
0.39214978 0.84480673 0.70036345
0.16173652 0.75038619 0.26511661
0.21904238 0.66499938 0.61987765
0.06559940 0.62601702 0.53458972
0.03308326 0.67855606 0.36289978
0.64425790 0.35115189 0.26621528
0.15728468 0.40620643 0.24047703
0.35952357 0.38940246 0.24250632
0.34056192 0.27902792 0.08281201
0.13469541 0.27789349 0.09149166
0.24785740 0.66505193 0.09193604
0.26935755 0.47978444 0.84049948
0.26290376 0.62186175 0.73488360
0.17955190 0.10123172 0.68620311
0.35472330 0.87763407 0.90360799
0.36154619 0.05190962 0.94287824
0.26235502 0.16389708 0.84128314
0.28230054 0.12372649 0.32535032
0.09749486 0.12864707 0.10787172
0.91513864 0.85568674 0.01937991
0.95179324 0.03982659 0.58092221
0.03608437 0.79448651 0.78653493
0.77698329 0.98702118 0.39716392
0.72502285 0.34708721 0.11862487
0.77773871 0.57605397 0.89854696
0.88585991 0.56615000 0.31780318
0.08681529 0.58857764 0.06924898
0.47629484 0.28271029 0.69176193
0.85899839 0.72456850 0.80103907
0.64282692 0.67706191 0.53844427
0.68336804 0.97997834 0.91592189
0.57493714 0.99041436 0.58883642
0.86391893 0.30763899 0.69057356
0.45292913 0.43423969 0.81405251
0.54802436 0.70291038 0.99833666
0.48240133 0.27294756 0.19525669
0.68803142 0.54272923 0.23589478
0.35914061 0.75819188 0.53418716
0.27339184 0.56289583 0.19522885
0.18726441 0.36543330 0.92448424
0.28036176 0.30555637 0.39975374
0.29348080 0.09688446 0.13376757
0.23185640 0.79156645 0.77235600
0.00802799 0.98254038 0.09176735
0.97306971 0.89330783 0.66321360
0.75140030 0.41880439 0.96381491
0.00406203 0.59162457 0.20975050
0.77240977 0.68662902 0.65140804
0.62068389 0.00956234 0.75618209
0.50422167 0.58430279 0.87851677
0.59799457 0.39665048 0.23289942
0.24391760 0.48200625 0.04177546
0.27867901 0.18236586 0.27968223
0.80035973 0.22739357 0.30358999
0.95079275 0.24316650 0.31339046
0.88042766 0.18516565 0.43935214
0.78303971 0.99293097 0.58177969
0.62177774 0.18150772 0.71001320
0.77687863 0.13501905 0.64563465
0.39026187 0.32132806 0.96631514
0.47521963 0.12480433 0.82615380
0.52344360 0.14965591 0.98079522
0.38785689 0.14260360 0.44698519
0.37360327 0.04683054 0.57425060
0.49056568 0.15080754 0.57224500
0.85561844 0.44314391 0.84440395
0.07361962 0.55386294 0.71974104
0.02927202 0.46916906 0.84171899
1.00433745 0.19013976 0.68818693
0.09750886 0.20591454 0.82128820
0.04826607 0.33355427 0.73857381
0.33696860 0.47850235 0.55540529
0.48328595 0.49098474 0.52311156
0.38302060 0.57997740 0.44241344
0.35335221 0.89400443 0.36476749
0.32058773 0.79644357 0.23784905
0.42167392 0.75581729 0.35475425
0.30196422 0.85274756 0.06978492
0.15814506 0.79876361 0.08372892
0.19103913 0.90138898 0.96964051
0.26054273 0.91053889 0.55486932
0.14057550 -0.00012234 0.55553703
0.12917924 0.84480060 0.59111961
No title
1
14.524134 -0.313399 -0.466056
-0.313253 13.771135 -0.015799
-0.469353 -0.012230 13.503668
C H O N F
110 60 25 10 30
Direct configuration= 87
0.07533628 0.03923661 0.95356565
0.92858925 0.01790754 0.75758190
0.95104110 0.94027095 0.82528301
0.02221318 0.95292809 0.92280652
0.06605879 0.05937637 0.05532622
0.97442806 0.92093273 0.01431507
0.95176028 -0.00629364 0.65939485
0.99132090 0.86423777 0.75907923
0.96350478 0.98597413 0.17999080
0.94519685 0.07541168 0.22050774
0.88638678 0.08162271 0.29714734
0.93027624 0.89944806 0.22124039
0.86839428 0.90444805 0.29408798
0.84274310 0.99416263 0.32810786
0.71047852 0.05381663 0.39603777
0.70656468 0.10932350 0.48426742
0.64784475 0.18809400 0.48802557
0.64996708 0.07018981 0.31529480
0.58668039 0.14268613 0.32295873
0.58830891 0.20381705 0.40660798
0.87899992 0.18288241 0.33853906
0.75623487 0.08083592 0.56908133
0.84533236 0.47315221 0.09442378
0.85470218 0.57602828 0.13799847
0.92023962 0.60212795 0.05548289
0.89632021 0.50279044 0.00728892
0.76939522 0.40574852 0.06872297
0.81586301 0.50052084 0.92637472
0.91332302 0.57887221 0.23444293
0.01396524 0.59686092 0.10753116
0.67640662 0.39238052 0.90591477
0.59226486 0.34462651 0.94635058
0.54139127 0.27905859 0.86837307
0.66958988 0.41998506 0.80338117
0.60313257 0.38118840 0.73712007
0.53397985 0.31298436 0.76632058
0.38145542 0.26399795 0.68332420
0.34507919 0.21064200 0.60018598
0.25150611 0.21523058 0.57137417
0.32272088 0.30806413 0.74439326
0.23100250 0.31506713 0.71198930
0.19515155 0.27245475 0.62340772
0.51396875 0.18812380 0.89109517
0.39990811 0.13947745 0.54909895
0.75123755 0.83811076 0.72622104
0.66460296 0.84964963 0.78962029
0.60646138 0.85067294 0.68998656
0.68782531 0.82473172 0.63132148
0.80212672 0.74634959 0.73600051
0.69393330 0.72194850 0.59956330
0.65823358 0.95217772 0.83172063
0.59459653 0.95720213 0.67133975
0.80703026 0.59526303 0.63563415
0.89672838 0.57960196 0.67068876
0.92388948 0.48382077 0.69194848
0.75371526 0.51822081 0.59013645
0.78316220 0.42439604 0.60311101
0.85909378 0.40365443 0.66701838
0.85948293 0.26769049 0.78630693
0.94222702 0.24285427 0.83487465
0.94280209 0.20387057 0.93043379
0.77648864 0.23724735 0.82364060
0.77710663 0.18960413 0.91500017
0.85960496 0.17758259 0.97117317
0.00834585 0.49479167 0.75111746
0.02280883 0.24258139 0.77311964
0.55353613 0.44481316 0.96014402
0.47533123 0.43707334 0.12702669
0.54540221 0.52031449 0.13113326
0.58507032 0.53093901 0.02563736
0.49913023 0.48165487 0.87977586
0.54490891 0.61902622 0.96888351
0.50814617 0.35838533 0.18140901
0.61679528 0.48590126 0.20664626
0.47277286 0.63359708 0.79190878
0.46579544 0.58186273 0.70212093
0.42284469 0.61763700 0.61615777
0.44601001 0.72947273 0.79219869
0.40958053 0.76884222 0.70389353
0.39411348 0.71313724 0.61761212
0.27598890 0.72572017 0.48970876
0.26124920 0.74951045 0.38961583
0.17375332 0.73088868 0.34282841
0.20757485 0.67800778 0.54097296
0.12097870 0.65906291 0.49351179
0.10326693 0.68781048 0.39560825
0.40616778 0.54398653 0.53298569
0.33899552 0.79820219 0.33734695
0.21129639 0.39685024 0.18887231
0.29730024 0.34255451 0.22725322
0.28774401 0.27544515 0.13595132
0.19617635 0.32636435 0.10052341
0.24426092 0.49207672 0.14638608
0.20704642 0.38881013 0.01064145
0.28418225 0.27761004 0.31444929
0.28486732 0.17320493 0.17726871
0.25497734 0.56145983 0.97609606
0.24960327 0.65499586 0.01273870
0.23927305 0.73632775 0.95235244
0.26110199 0.55009961 0.87387969
0.25600489 0.63123486 0.81375316
0.24272528 0.72507512 0.84866847
0.25481020 0.88930358 0.78063348
0.21311244 0.95372568 0.71121919
0.21603945 0.05214147 0.73612729
0.31668090 0.92698522 0.85524960
0.32006705 0.02566496 0.87763216
0.26498886 0.08769780 0.82156822
0.22340081 0.82254571 0.01663405
0.18494787 0.92766164 0.60528711
0.12531750 0.07895428 0.91150845
0.89494281 0.08323944 0.77634305
0.89184656 0.90762791 0.86275635
0.06569615 0.89333898 0.90244380
0.97800556 0.14101409 0.19216264
0.94940216 0.83012291 0.19239378
0.83625894 0.83899444 0.32434081
0.64277309 0.22281467 0.56004052
0.65166748 0.02702135 0.24785243
0.53514285 0.15416001 0.26254304
0.53668266 0.25844475 0.41022184
0.00597200 0.86390672 0.60702741
0.73861790 0.51370060 0.27709007
0.79139129 0.61584985 0.14100392
0.90978602 0.66662427 0.00905994
0.95310021 0.45978463 0.98485422
0.60755755 0.30582497 0.01557262
0.72141803 0.47104136 0.77783798
0.60006661 0.40260888 0.65953323
0.22306219 0.17334381 0.50754079
0.34819265 0.33944157 0.81469087
0.18872036 0.35296299 0.76077418
0.12309202 0.27819464 0.59799847
0.05986130 0.58584659 0.25926665
0.80000723 0.90112219 0.73168862
0.65353482 0.79343437 0.84539301
0.54256355 0.80746574 0.67689847
0.69708334 0.86931031 0.56560690
0.94122616 0.64073431 0.69807226
0.68787329 0.53274651 0.55107261
0.74001696 0.36301373 0.57377519
1.00844695 0.19214854 0.97052207
0.71154172 0.24092408 0.77847029
0.71247454 0.15990104 0.94167542
0.85868588 0.14346610 0.04393791
0.62174419 0.09055760 0.74719906
0.43706057 0.36346494 1.00188952
0.40461112 0.44426894 0.09886266
0.52145522 0.59123742 0.15408693
0.66015848 0.54758011 0.02962021
0.48980814 0.50930636 0.69840636
0.45541312 0.77227729 0.86013263
0.39211027 0.84480361 0.70033324
0.16169784 0.75047423 0.26510122
0.21909390 0.66485904 0.61981597
0.06561861 0.62597942 0.53455063
0.03305753 0.67866610 0.36289698
0.64419266 0.35122695 0.26633880
0.15727391 0.40623182 0.24053377
0.35948808 0.38936047 0.24257748
0.34050852 0.27901365 0.08282105
0.13464417 0.27788453 0.09154587
0.24785355 0.66504253 0.09197217
0.26934630 0.47974451 0.84051627
0.26293396 0.62183058 0.73489341
0.17960177 0.10125098 0.68624510
0.35476362 0.87763453 0.90366192
0.36156197 0.05191288 0.94296667
0.26239983 0.16391823 0.84135227
0.28217553 0.12368463 0.32536012
0.09747334 0.12858065 0.10787851
0.91513497 0.85555740 0.01939871
0.95167338 0.03976037 0.58086523
0.03606808 0.79443380 0.78646641
0.77695751 0.98704031 0.39719617
0.72497750 0.34714329 0.11866896
0.77766003 0.57611952 0.89865092
0.88583293 0.56607860 0.31788766
0.08680267 0.58865655 0.06933257
0.47628076 0.28267055 0.69177494
0.85898119 0.72451394 0.80099320
0.64288120 0.67705565 0.53826167
0.68340406 0.97998550 0.91586531
0.57484189 0.99037207 0.58879050
0.86405056 0.30762434 0.69051113
0.45292192 0.43428774 0.81406945
0.54813708 0.70298216 0.99834066
0.48234717 0.27304052 0.19535643
0.68800212 0.54280115 0.23597584
0.35915306 0.75814928 0.53414801
0.27342374 0.56287005 0.19525996
0.18720394 0.36542868 0.92452713
0.28022629 0.30553346 0.39977418
0.29347067 0.09688930 0.13379799
0.23190427 0.79156117 0.77238252
0.00800525 0.98247306 0.09178164
0.97301394 0.89322900 0.66315316
0.75138818 0.41881077 0.96382884
0.00404246 0.59156153 0.20983771
0.77240838 0.68660039 0.65130563
0.62064478 0.00953320 0.75613160
0.50427261 0.58435040 0.87853277
0.59795095 0.39672760 0.23298677
0.24387979 0.48198899 0.04180651
0.27858421 0.18233479 0.27969586
0.80034757 0.22739049 0.30364969
0.95077720 0.24316963 0.31339230
0.88046279 0.18517251 0.43939548
0.78290386 0.99298557 0.58183371
0.62178061 0.18151954 0.71005721
0.77683419 0.13510349 0.64560882
0.39025090 0.32140221 0.96635829
0.47523658 0.12477860 0.82617760
0.52345498 0.14964422 0.98083540
0.38777598 0.14250896 0.44694905
0.37371889 0.04678280 0.57429461
0.49058448 0.15087604 0.57212228
0.85556279 0.44329014 0.84435444
0.07363245 0.55389060 0.71974241
0.02925682 0.46912536 0.84165245
1.00452046 0.18998611 0.68826311
0.09766678 0.20606908 0.82137073
0.04828443 0.33353434 0.73841552
0.33700096 0.47853735 0.55533115
0.48334430 0.49090418 0.52313817
0.38318172 0.57997883 0.44236883
0.35333235 0.89402093 0.36474394
0.32054500 0.79647313 0.23779346
0.42165447 0.75582846 0.35468023
0.30210921 0.85284453 0.06969293
0.15834160 0.79881389 0.08387674
0.19102727 0.90137141 0.96965915
0.26050464 0.91055934 0.55485193
0.14048984 -0.00017599 0.55561312
0.12921415 0.84473970 0.59123449
No title
1
14.525047 -0.312332 -0.466602
-0.312378 13.768326 -0.017594
-0.470043 -0.014036 13.500144
C H O N F
110 60 25 10 30
Direct configuration= 88
0.07514843 0.03902188 0.95349452
0.92846365 0.01765612 0.75758782
0.95098688 0.94004451 0.82516035
0.02208800 0.95268588 0.92277824
0.06595362 0.05918540 0.05538344
0.97439371 0.92063669 0.01433313
0.95149803 -0.00655139 0.65922745
0.99124469 0.86395935 0.75894018
0.96344264 0.98578331 0.18006645
0.94517497 0.07529814 0.22059303
0.88635552 0.08157149 0.29724397
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No title
1
14.524696 -0.312719 -0.466433
-0.312702 13.769199 -0.017068
-0.469834 -0.013505 13.501060
C H O N F
110 60 25 10 30
Direct configuration= 89
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0.37399460 0.04667078 0.57440212
0.49062493 0.15103710 0.57183010
0.85543232 0.44363586 0.84423420
0.07366995 0.55396557 0.71974632
0.02923306 0.46900700 0.84154432
1.00495056 0.18962227 0.68844313
0.09802855 0.20643522 0.82155550
0.04832771 0.33348137 0.73804565
0.33707600 0.47861815 0.55515567
0.48347771 0.49071813 0.52320216
0.38356473 0.57998140 0.44226639
0.35328523 0.89405911 0.36468804
0.32044467 0.79654388 0.23767080
0.42160830 0.75585443 0.35450459
0.30244034 0.85306986 0.06947198
0.15880448 0.79893181 0.08422328
0.19099874 0.90133201 0.96970358
0.26041583 0.91060746 0.55481084
0.14028603 -0.00030026 0.55579346
0.12929871 0.84459648 0.59150616
No title
1
14.525532 -0.312028 -0.466636
-0.312159 13.767127 -0.018583
-0.470175 -0.015018 13.498202
C H O N F
110 60 25 10 30
Direct configuration= 90
0.07507364 0.03897913 0.95355497
0.92840882 0.01759311 0.75748237
0.95091662 0.93985410 0.82521272
0.02207391 0.95254513 0.92275212
0.06587871 0.05901194 0.05524538
0.97434908 0.92050411 0.01435361
0.95138718 -0.00666186 0.65920237
0.99118986 0.86390701 0.75883560
0.96342169 0.98575547 0.18009101
0.94515719 0.07521395 0.22063182
0.88636025 0.08157202 0.29726939
0.93013272 0.89920393 0.22141810
0.86828097 0.90437699 0.29425628
0.84265392 0.99409499 0.32826419
0.71036338 0.05390766 0.39602363
0.70635057 0.10963071 0.48409060
0.64773134 0.18850936 0.48767310
0.64992162 0.07013699 0.31511816
0.58664103 0.14274417 0.32259263
0.58827764 0.20407221 0.40614452
0.87900069 0.18287516 0.33869765
0.75597496 0.08117783 0.56925795
0.84525781 0.47320095 0.09454643
0.85462981 0.57601447 0.13833531
0.92015622 0.60223840 0.05584263
0.89620700 0.50294485 0.00740329
0.76930982 0.40589466 0.06880879
0.81565971 0.50081075 0.92650353
0.91321644 0.57862751 0.23484483
0.01388501 0.59692551 0.10792239
0.67628465 0.39243060 0.90600848
0.59216256 0.34468225 0.94651821
0.54126768 0.27907148 0.86853103
0.66941825 0.41993978 0.80342811
0.60302522 0.38108513 0.73718130
0.53390886 0.31285352 0.76641135
0.38141318 0.26383339 0.68321140
0.34508077 0.21043862 0.60015647
0.25151545 0.21503045 0.57115670
0.32268281 0.30822788 0.74426936
0.23101207 0.31536361 0.71152215
0.19521767 0.27263069 0.62307525
0.51394811 0.18806113 0.89125737
0.39995385 0.13929703 0.54896005
0.75114448 0.83797953 0.72588013
0.66454997 0.84950437 0.78933444
0.60636024 0.85046284 0.68968282
0.68772937 0.82462109 0.63092092
0.80200976 0.74620033 0.73560817
0.69398984 0.72186868 0.59894620
0.65821623 0.95210195 0.83145672
0.59432605 0.95700573 0.67110230
0.80703740 0.59511568 0.63518030
0.89682142 0.57958268 0.67017840
0.92401836 0.48381783 0.69156030
0.75369891 0.51791556 0.58995541
0.78323513 0.42412597 0.60296880
0.85936048 0.40355038 0.66674690
0.85998070 0.26776433 0.78609083
0.94281365 0.24297542 0.83482682
0.94326022 0.20414509 0.93041857
0.77708003 0.23742653 0.82344418
0.77756307 0.18992465 0.91484852
0.86014325 0.17795188 0.97116691
0.00843881 0.49480515 0.75091123
0.02339647 0.24261150 0.77310602
0.55358973 0.44497348 0.96027605
0.47522699 0.43741155 0.12721709
0.54535018 0.52063039 0.13132436
0.58515628 0.53111622 0.02583846
0.49919841 0.48187561 0.87988843
0.54523376 0.61929843 0.96897306
0.50795428 0.35880021 0.18177479
0.61665550 0.48623075 0.20699595
0.47305222 0.63378466 0.79191498
0.46631134 0.58200461 0.70210343
0.42323510 0.61759822 0.61608257
0.44600493 0.72960396 0.79217759
0.40952969 0.76883825 0.70379823
0.39421996 0.71304922 0.61751839
0.27606069 0.72554279 0.48947116
0.26122372 0.74952025 0.38946694
0.17364708 0.73114388 0.34269493
0.20770511 0.67765675 0.54076170
0.12101466 0.65897619 0.49329533
0.10319283 0.68805460 0.39555820
0.40658681 0.54392086 0.53286665
0.33889317 0.79827455 0.33711996
0.21117141 0.39685445 0.18907865
0.29710011 0.34243855 0.22743985
0.28753037 0.27534152 0.13604975
0.19594365 0.32631502 0.10069937
0.24423669 0.49204589 0.14656818
0.20678090 0.38875044 0.01077237
0.28373676 0.27747159 0.31458215
0.28465957 0.17302962 0.17730934
0.25490436 0.56133890 0.97618807
0.24961964 0.65495718 0.01291178
0.23944854 0.73629827 0.95250417
0.26108822 0.54998537 0.87398030
0.25611932 0.63109568 0.81383021
0.24290728 0.72503064 0.84879990
0.25502563 0.88930819 0.78086498
0.21329045 0.95376334 0.71142395
0.21627867 0.05220492 0.73637508
0.31685019 0.92699625 0.85549410
0.32022803 0.02568988 0.87799178
0.26516784 0.08777534 0.82183460
0.22383045 0.82267790 0.01678354
0.18490237 0.92754878 0.60554958
0.12492234 0.07880011 0.91135715
0.89492996 0.08302085 0.77635497
0.89175998 0.90719940 0.86259845
0.06559193 0.89298428 0.90239026
0.97802939 0.14082065 0.19228931
0.94922655 0.82984902 0.19259483
0.83608938 0.83891074 0.32455531
0.64265121 0.22344481 0.55961388
0.65165673 0.02682881 0.24775668
0.53513427 0.15408897 0.26210298
0.53664764 0.25877878 0.40958575
0.00562026 0.86354692 0.60669141
0.73845255 0.51404427 0.27756674
0.79133593 0.61587162 0.14142922
0.90971030 0.66685041 0.00955346
0.95295253 0.45995299 0.98481990
0.60746927 0.30592785 0.01578204
0.72126412 0.47101923 0.77784987
0.59992448 0.40241492 0.65952708
0.22307633 0.17309832 0.50739275
0.34814076 0.33967351 0.81447433
0.18876486 0.35361786 0.76017857
0.12322565 0.27850432 0.59740304
0.05974494 0.58553971 0.25971606
0.79990416 0.90100842 0.73140438
0.65354460 0.79330723 0.84515697
0.54252462 0.80715184 0.67661035
0.69689423 0.86930540 0.56525142
0.94128938 0.64079434 0.69739912
0.68776277 0.53235099 0.55098953
0.74013753 0.36263860 0.57375336
1.00894207 0.19249882 0.97063438
0.71206480 0.24109421 0.77822655
0.71297238 0.16029336 0.94155478
0.85913319 0.14396574 0.04398910
0.62158945 0.09044377 0.74707911
0.43689264 0.36376579 1.00241176
0.40446936 0.44473812 0.09922758
0.52142230 0.59162054 0.15420894
0.66025724 0.54762763 0.02996982
0.49063180 0.50953346 0.69841329
0.45525067 0.77244765 0.86014073
0.39191959 0.84479108 0.70018554
0.16151099 0.75090451 0.26503689
0.21934236 0.66417979 0.61950796
0.06570972 0.62579547 0.53436667
0.03293170 0.67919991 0.36288316
0.64388808 0.35158543 0.26694553
0.15721506 0.40635340 0.24080682
0.35931623 0.38916091 0.24292108
0.34025664 0.27894734 0.08285945
0.13440043 0.27784895 0.09180431
0.24783706 0.66499657 0.09214431
0.26929304 0.47954883 0.84059485
0.26307824 0.62168735 0.73494717
0.17983601 0.10134956 0.68644251
0.35496272 0.87763661 0.90392247
0.36164007 0.05192916 0.94338985
0.26261701 0.16401542 0.84168530
0.28156885 0.12348559 0.32540724
0.09740575 0.12835065 0.10798243
0.91522480 0.85504087 0.01947668
0.95108644 0.03940610 0.58067615
0.03604869 0.79406779 0.78618251
0.77684698 0.98712583 0.39734956
0.72474009 0.34739422 0.11889560
0.77727246 0.57643414 0.89916282
0.88571488 0.56573730 0.31826040
0.08676264 0.58903543 0.06973000
0.47620257 0.28247392 0.69183982
0.85883053 0.72427492 0.80069979
0.64314134 0.67701909 0.53737097
0.68356657 0.98000138 0.91553499
0.57436944 0.99018907 0.58851607
0.86468566 0.30753689 0.69022331
0.45288258 0.43451497 0.81413828
0.54867971 0.70329255 0.99834575
0.48206325 0.27342594 0.19585720
0.68787044 0.54313499 0.23637721
0.35921445 0.75794251 0.53395821
0.27359103 0.56279448 0.19544455
0.18688882 0.36538044 0.92460948
0.27956973 0.30542823 0.39989612
0.29343178 0.09676968 0.13386108
0.23213013 0.79153166 0.77250601
0.00790028 0.98214547 0.09185427
0.97274052 0.89284443 0.66290003
0.75133432 0.41883494 0.96390081
0.00394119 0.59125320 0.21025552
0.77239922 0.68647289 0.65081605
0.62045209 0.00938933 0.75588295
0.50452091 0.58458396 0.87861012
0.59773135 0.39712118 0.23340544
0.24370150 0.48191860 0.04195401
0.27812245 0.18217560 0.27975778
0.80029362 0.22737081 0.30393697
0.95070383 0.24317967 0.31340179
0.88063085 0.18520444 0.43959210
0.78225302 0.99324196 0.58210828
0.62179814 0.18157297 0.71026918
0.77663951 0.13554686 0.64551222
0.39019650 0.32175868 0.96656577
0.47531698 0.12465636 0.82629720
0.52350826 0.14960083 0.98101662
0.38738279 0.14204288 0.44679187
0.37428694 0.04654987 0.57451938
0.49067007 0.15120789 0.57152418
0.85529645 0.44400302 0.84410671
0.07369647 0.55404176 0.71975519
0.02919419 0.46889332 0.84137332
1.00540357 0.18924099 0.68863709
0.09840910 0.20681530 0.82175212
0.04837715 0.33341914 0.73766144
0.33715431 0.47870159 0.55497091
0.48361769 0.49052227 0.52327099
0.38396833 0.57998276 0.44215787
0.35323622 0.89410024 0.36462968
0.32033943 0.79661950 0.23754023
0.42155892 0.75588158 0.35432019
0.30279104 0.85330834 0.06924312
0.15929194 0.79905588 0.08458659
0.19096657 0.90129413 0.96975000
0.26032194 0.91065986 0.55476888
0.14007097 -0.00043015 0.55598479
0.12938713 0.84444575 0.59179252
No title
1
14.525450 -0.311857 -0.466783
-0.312003 13.766828 -0.018641
-0.470317 -0.015084 13.497974
C H O N F
110 60 25 10 30
Direct configuration= 91
0.07506312 0.03895661 0.95351275
0.92839962 0.01754592 0.75748842
0.95091811 0.93984839 0.82518614
0.02205100 0.95251551 0.92275152
0.06589734 0.05907255 0.05534086
0.97436208 0.92048582 0.01435253
0.95135715 -0.00669343 0.65919707
0.99119646 0.86384665 0.75883371
0.96340754 0.98570367 0.18010723
0.94516108 0.07522511 0.22063786
0.88634662 0.08154793 0.29728828
0.93013754 0.89921872 0.22141296
0.86825783 0.90433376 0.29428269
0.84264968 0.99412801 0.32827693
0.71034248 0.05391650 0.39599360
0.70638572 0.10963682 0.48417839
0.64772867 0.18853360 0.48764741
0.64991321 0.07014686 0.31512000
0.58665268 0.14273170 0.32256224
0.58825395 0.20410952 0.40610091
0.87900267 0.18287580 0.33870344
0.75587989 0.08120656 0.56910733
0.84525402 0.47320487 0.09455497
0.85462396 0.57601409 0.13836324
0.92015205 0.60224948 0.05587026
0.89619481 0.50295990 0.00740993
0.76926974 0.40586342 0.06884979
0.81564804 0.50083383 0.92651679
0.91321883 0.57861206 0.23485484
0.01387452 0.59693024 0.10795828
0.67627433 0.39243123 0.90602666
0.59215667 0.34468780 0.94652980
0.54125457 0.27905884 0.86854803
0.66943539 0.41995891 0.80343761
0.60299743 0.38106626 0.73716649
0.53389465 0.31284304 0.76641093
0.38139433 0.26386631 0.68327311
0.34505792 0.21039223 0.60010867
0.25151973 0.21505265 0.57118981
0.32267108 0.30820053 0.74418163
0.23104020 0.31542027 0.71155597
0.19522049 0.27259946 0.62298159
0.51395173 0.18807318 0.89126898
0.39995883 0.13928642 0.54895344
0.75113527 0.83797231 0.72585213
0.66454625 0.84949311 0.78931370
0.60635276 0.85044554 0.68966048
0.68772281 0.82461349 0.63088999
0.80203384 0.74617071 0.73561078
0.69399493 0.72186012 0.59889692
0.65821128 0.95208461 0.83142019
0.59429467 0.95700369 0.67104630
0.80705914 0.59509746 0.63515327
0.89680668 0.57957563 0.67013048
0.92405584 0.48382295 0.69154724
0.75368612 0.51790324 0.58993523
0.78325410 0.42409289 0.60296805
0.85936440 0.40354779 0.66671084
0.86009677 0.26776570 0.78609093
0.94280427 0.24300531 0.83478439
0.94335066 0.20416328 0.93043645
0.77706386 0.23743940 0.82340653
0.77765809 0.18994186 0.91487482
0.86011311 0.17798061 0.97114533
0.00841712 0.49480947 0.75085712
0.02344768 0.24260807 0.77311341
0.55359398 0.44498939 0.96028499
0.47521770 0.43744468 0.12722862
0.54534665 0.52065409 0.13133855
0.58516413 0.53113046 0.02585585
0.49918853 0.48187223 0.87987410
0.54525985 0.61929770 0.96897615
0.50792962 0.35879093 0.18181259
0.61665283 0.48628033 0.20701860
0.47307242 0.63380795 0.79192014
0.46635194 0.58200824 0.70209599
0.42326385 0.61760351 0.61607962
0.44600732 0.72960500 0.79217637
0.40952486 0.76884948 0.70379556
0.39422640 0.71303076 0.61749992
0.27605671 0.72551078 0.48949444
0.26121061 0.74952791 0.38942000
0.17364263 0.73115616 0.34271371
0.20771085 0.67764079 0.54070172
0.12103149 0.65896047 0.49332087
0.10318554 0.68808706 0.39551638
0.40661840 0.54391382 0.53285711
0.33888584 0.79827980 0.33710720
0.21116297 0.39685612 0.18909393
0.29708422 0.34242950 0.22745391
0.28751421 0.27533038 0.13605498
0.19592696 0.32631268 0.10071155
0.24422972 0.49203199 0.14657888
0.20675936 0.38874240 0.01078083
0.28370239 0.27745368 0.31458010
0.28463638 0.17307658 0.17734133
0.25489675 0.56135500 0.97622480
0.24962313 0.65493085 0.01290536
0.23946117 0.73630293 0.95252726
0.26109079 0.54994674 0.87397183
0.25612513 0.63111292 0.81383868
0.24292340 0.72501003 0.84879560
0.25502294 0.88931158 0.78085460
0.21331309 0.95375247 0.71145648
0.21627855 0.05221736 0.73636528
0.31688104 0.92699681 0.85553542
0.32022098 0.02570070 0.87799506
0.26520534 0.08777568 0.82188801
0.22386216 0.82269122 0.01679227
0.18489699 0.92754222 0.60556765
0.12488420 0.07878431 0.91135349
0.89492616 0.08301064 0.77635730
0.89174176 0.90715860 0.86259247
0.06558917 0.89295219 0.90238559
0.97802861 0.14079756 0.19230098
0.94921375 0.82981983 0.19260847
0.83608224 0.83891698 0.32456627
0.64264173 0.22349359 0.55958151
0.65165618 0.02680894 0.24774204
0.53513119 0.15408566 0.26206689
0.53665127 0.25879774 0.40953599
0.00559811 0.86351511 0.60665901
0.73844023 0.51406977 0.27760379
0.79133197 0.61587211 0.14146167
0.90970438 0.66686617 0.00959257
0.95294286 0.45996440 0.98481659
0.60746312 0.30593582 0.01579918
0.72124218 0.47100805 0.77785474
0.59991478 0.40239925 0.65953096
0.22307106 0.17306758 0.50736556
0.34814569 0.33970507 0.81448627
0.18877452 0.35366093 0.76012103
0.12323983 0.27852948 0.59736178
0.05973792 0.58551557 0.25975207
0.79989684 0.90099892 0.73138255
0.65354548 0.79329759 0.84513800
0.54252182 0.80712786 0.67658767
0.69687988 0.86930497 0.56522302
0.94129940 0.64080418 0.69735014
0.68775844 0.53231870 0.55098569
0.74014655 0.36261004 0.57375110
1.00896250 0.19252817 0.97063387
0.71212299 0.24110704 0.77822015
0.71299938 0.16032000 0.94154722
0.85917097 0.14400305 0.04399758
0.62157634 0.09043438 0.74706932
0.43687889 0.36378834 1.00245182
0.40445891 0.44477371 0.09925586
0.52141976 0.59165019 0.15421858
0.66026395 0.54763128 0.02999632
0.49069418 0.50955388 0.69841457
0.45523827 0.77246230 0.86014219
0.39190571 0.84478643 0.70017400
0.16149519 0.75094068 0.26502266
0.21936347 0.66412465 0.61949993
0.06571915 0.62578370 0.53434812
0.03292573 0.67924108 0.36288550
0.64385773 0.35161989 0.26698717
0.15720961 0.40636267 0.24082792
0.35930251 0.38914538 0.24294750
0.34023653 0.27894280 0.08286371
0.13438085 0.27784487 0.09182358
0.24783575 0.66499518 0.09216707
0.26928762 0.47954540 0.84060638
0.26308961 0.62167519 0.73494973
0.17985967 0.10134995 0.68646615
0.35497434 0.87764073 0.90393740
0.36165135 0.05193281 0.94342988
0.26263249 0.16402298 0.84170936
0.28152154 0.12347291 0.32540963
0.09736561 0.12825755 0.10792760
0.91521283 0.85498150 0.01948400
0.95103962 0.03938448 0.58064954
0.03603106 0.79406459 0.78614900
0.77684485 0.98712162 0.39736605
0.72474943 0.34745099 0.11888187
0.77724109 0.57645874 0.89920253
0.88569876 0.56570827 0.31830851
0.08676340 0.58906417 0.06975748
0.47621352 0.28246083 0.69184630
0.85879055 0.72426772 0.80064610
0.64316136 0.67701634 0.53730234
0.68358419 0.98000929 0.91552581
0.57434240 0.99016179 0.58852707
0.86473145 0.30752496 0.69020342
0.45289615 0.43454865 0.81416471
0.54872166 0.70333645 0.99835224
0.48205272 0.27349141 0.19589043
0.68785508 0.54315790 0.23640557
0.35922403 0.75792993 0.53394410
0.27360765 0.56279938 0.19546571
0.18686639 0.36537990 0.92462012
0.27951838 0.30542288 0.39991491
0.29343531 0.09670834 0.13383656
0.23214986 0.79153122 0.77252171
0.00789620 0.98212124 0.09184469
0.97271435 0.89282342 0.66288745
0.75132572 0.41883802 0.96389605
0.00392733 0.59122921 0.21028510
0.77239015 0.68647185 0.65077611
0.62043811 0.00938313 0.75586527
0.50453873 0.58460444 0.87861319
0.59771729 0.39712640 0.23344756
0.24368792 0.48191280 0.04195648
0.27808693 0.18215990 0.27976701
0.80028956 0.22736905 0.30395966
0.95069793 0.24318062 0.31340328
0.88064347 0.18520694 0.43961193
0.78221212 0.99323754 0.58214227
0.62180228 0.18157562 0.71028523
0.77664650 0.13562920 0.64557776
0.39019295 0.32178687 0.96658192
0.47532094 0.12464268 0.82630350
0.52351238 0.14959644 0.98103330
0.38735106 0.14200597 0.44678177
0.37433113 0.04653329 0.57453782
0.49067789 0.15123295 0.57147718
0.85527620 0.44405821 0.84408766
0.07370531 0.55405521 0.71975704
0.02919648 0.46886828 0.84137775
1.00547024 0.18918359 0.68866373
0.09846700 0.20687214 0.82177923
0.04838373 0.33341254 0.73760213
0.33716689 0.47871499 0.55494289
0.48363963 0.49049258 0.52328139
0.38402967 0.57998314 0.44214145
0.35322882 0.89410687 0.36462049
0.32032257 0.79663045 0.23752046
0.42155187 0.75588571 0.35429143
0.30284342 0.85334396 0.06920884
0.15936544 0.79907443 0.08464136
0.19096309 0.90128570 0.96975924
0.26030825 0.91066775 0.55476195
0.14003863 -0.00045068 0.55601428
0.12940134 0.84442363 0.59183588
No title
1
14.526092 -0.311177 -0.466979
-0.311439 13.765257 -0.019714
-0.470610 -0.016162 13.495927
C H O N F
110 60 25 10 30
Direct configuration= 92
0.07494439 0.03883041 0.95346510
0.92832180 0.01737966 0.75751712
0.95090013 0.93974240 0.82509227
0.02197624 0.95238946 0.92274689
0.06581261 0.05891561 0.05532576
0.97434052 0.92030341 0.01436646
0.95120051 -0.00683547 0.65907928
0.99112827 0.86370723 0.75874682
0.96336998 0.98558764 0.18014629
0.94514878 0.07515467 0.22068643
0.88632851 0.08151873 0.29734553
0.93008500 0.89914522 0.22147762
0.86820006 0.90427786 0.29436219
0.84261484 0.99411876 0.32834261
0.71029053 0.05396049 0.39598860
0.70631081 0.10975787 0.48414023
0.64769585 0.18869315 0.48750678
0.64988931 0.07013677 0.31505725
0.58664015 0.14274795 0.32240125
0.58823062 0.20421970 0.40589744
0.87900637 0.18286794 0.33876681
0.75573309 0.08135482 0.56908316
0.84521164 0.47321554 0.09459372
0.85458968 0.57601472 0.13850153
0.92012476 0.60230404 0.05602095
0.89614611 0.50302995 0.00745902
0.76924181 0.40592496 0.06888736
0.81556627 0.50094530 0.92658148
0.91317432 0.57850506 0.23504535
0.01384769 0.59695445 0.10811818
0.67622304 0.39245160 0.90607720
0.59211905 0.34471241 0.94659705
0.54120426 0.27906656 0.86861607
0.66938834 0.41995942 0.80345381
0.60294000 0.38101228 0.73718814
0.53386665 0.31279114 0.76644202
0.38136903 0.26381758 0.68325859
0.34504947 0.21029467 0.60008104
0.25152600 0.21498581 0.57112591
0.32265473 0.30825242 0.74409494
0.23105508 0.31555948 0.71139179
0.19525176 0.27265065 0.62281573
0.51394264 0.18804723 0.89133927
0.39997871 0.13920818 0.54890323
0.75110126 0.83791784 0.72571084
0.66452616 0.84943393 0.78919139
0.60630971 0.85035777 0.68953134
0.68768746 0.82456605 0.63072654
0.80193741 0.74613146 0.73539647
0.69401757 0.72181613 0.59863297
0.65820041 0.95204397 0.83129220
0.59418881 0.95690950 0.67097013
0.80707141 0.59503075 0.63496784
0.89683173 0.57956308 0.66991341
0.92415057 0.48382808 0.69140797
0.75367833 0.51778242 0.58985924
0.78328991 0.42397276 0.60291128
0.85946035 0.40349673 0.66658929
0.86033850 0.26779667 0.78601001
0.94302133 0.24306503 0.83474609
0.94356734 0.20427725 0.93043998
0.77727863 0.23751429 0.82331695
0.77787623 0.19006952 0.91483269
0.86029781 0.17813360 0.97113285
0.00841099 0.49482163 0.75072290
0.02369200 0.24261191 0.77311498
0.55361027 0.44506479 0.96033002
0.47518530 0.43757582 0.12731267
0.54532560 0.52078649 0.13141707
0.58520108 0.53120107 0.02593873
0.49922130 0.48194844 0.87992493
0.54539681 0.61943233 0.96902399
0.50785013 0.35898201 0.18195875
0.61658769 0.48640758 0.20716325
0.47318810 0.63389274 0.79192344
0.46656586 0.58206310 0.70208555
0.42342437 0.61759304 0.61604923
0.44600836 0.72965528 0.79217031
0.40950336 0.76885153 0.70375460
0.39427186 0.71298799 0.61745715
0.27608418 0.72542919 0.48941585
0.26119635 0.74953695 0.38934233
0.17359977 0.73126125 0.34267170
0.20776294 0.67750047 0.54059226
0.12105117 0.65891887 0.49325200
0.10315486 0.68819646 0.39547911
0.40679389 0.54388493 0.53280969
0.33884022 0.79831183 0.33701722
0.21111037 0.39686057 0.18917867
0.29699911 0.34238191 0.22753254
0.28742752 0.27529155 0.13609314
0.19583204 0.32629463 0.10077823
0.24420680 0.49199225 0.14663801
0.20666202 0.38873033 0.01088832
0.28351636 0.27739556 0.31462373
0.28455302 0.17295284 0.17732854
0.25486627 0.56131558 0.97628067
0.24963269 0.65490744 0.01296839
0.23953487 0.73629480 0.95259855
0.26108735 0.54988522 0.87400900
0.25617162 0.63107288 0.81387194
0.24300062 0.72498392 0.84884570
0.25510244 0.88931392 0.78093736
0.21339285 0.95375966 0.71155393
0.21636610 0.05225174 0.73645200
0.31696003 0.92700481 0.85564614
0.32028222 0.02571353 0.87813543
0.26529084 0.08780731 0.82201527
0.22404166 0.82275226 0.01685189
0.18487213 0.92749714 0.60567586
0.12471411 0.07872046 0.91129444
0.89492165 0.08291534 0.77635838
0.89167038 0.90695784 0.86254606
0.06556361 0.89278676 0.90236201
0.97803651 0.14071197 0.19235422
0.94914161 0.82969557 0.19268621
0.83601628 0.83889023 0.32465122
0.64258840 0.22375555 0.55940124
0.65165236 0.02672325 0.24769520
0.53513151 0.15405637 0.26188559
0.53663652 0.25893430 0.40926898
0.00545896 0.86336347 0.60651098
0.73837571 0.51420999 0.27780530
0.79130913 0.61587653 0.14163841
0.90967206 0.66695549 0.00980191
0.95288637 0.46003030 0.98479686
0.60742725 0.30597884 0.01588736
0.72116890 0.47098927 0.77786279
0.59985783 0.40231776 0.65952647
0.22307475 0.17295625 0.50730112
0.34812880 0.33981120 0.81440844
0.18879610 0.35393122 0.75986813
0.12329522 0.27865615 0.59711814
0.05968792 0.58538711 0.25993898
0.79985423 0.90094721 0.73126210
0.65354932 0.79324394 0.84503724
0.54250764 0.80699768 0.67646527
0.69680492 0.86930378 0.56507065
0.94133033 0.64083154 0.69707142
0.68771162 0.53215235 0.55095200
0.74019828 0.36245308 0.57374306
1.00915839 0.19267600 0.97067633
0.71234842 0.24117839 0.77812706
0.71320226 0.16048137 0.94149778
0.85935796 0.14421084 0.04402043
0.62151087 0.09038479 0.74701925
0.43681131 0.36391726 1.00267343
0.40439531 0.44497084 0.09940716
0.52140598 0.59180971 0.15426707
0.66030484 0.54765185 0.03013867
0.49103557 0.50965084 0.69841837
0.45517210 0.77253383 0.86014384
0.39182690 0.84478075 0.70011163
0.16141689 0.75112444 0.26499380
0.21946798 0.66384010 0.61937871
0.06575956 0.62570916 0.53426918
0.03287404 0.67946373 0.36288207
0.64373020 0.35177290 0.26723958
0.15718179 0.40641197 0.24093943
0.35922928 0.38906316 0.24308953
0.34013071 0.27891517 0.08288169
0.13427862 0.27783045 0.09192821
0.24782999 0.66497759 0.09224578
0.26926505 0.47947242 0.84064210
0.26314889 0.62161858 0.73497317
0.17996079 0.10138486 0.68655550
0.35505805 0.87764289 0.90404394
0.36168731 0.05194103 0.94360751
0.26272207 0.16406355 0.84184696
0.28126818 0.12338954 0.32542649
0.09733997 0.12817771 0.10797268
0.91524140 0.85476342 0.01951325
0.95079709 0.03922907 0.58058622
0.03602903 0.79389598 0.78603024
0.77680448 0.98714769 0.39743105
0.72464896 0.34755221 0.11897490
0.77707702 0.57659496 0.89941656
0.88565048 0.56557008 0.31844652
0.08673874 0.58921991 0.06992578
0.47618845 0.28237900 0.69187469
0.85876757 0.72414645 0.80057296
0.64327314 0.67700594 0.53693895
0.68365631 0.98001887 0.91539743
0.57414053 0.99009415 0.58839067
0.86499051 0.30748808 0.69008674
0.45288508 0.43464987 0.81419704
0.54894215 0.70344252 0.99834554
0.48193315 0.27364589 0.19609936
0.68780082 0.54330556 0.23656545
0.35925141 0.75784521 0.53386491
0.27368239 0.56279074 0.19555926
0.18673078 0.36535393 0.92460895
0.27924540 0.30537930 0.39997522
0.29341309 0.09670612 0.13388665
0.23224392 0.79152194 0.77257908
0.00785442 0.98199068 0.09185927
0.97259962 0.89267052 0.66279152
0.75129316 0.41884946 0.96391547
0.00388287 0.59109818 0.21045588
0.77238181 0.68641670 0.65056662
0.62035668 0.00932664 0.75575855
0.50463939 0.58470357 0.87863862
0.59763134 0.39729386 0.23361966
0.24361607 0.48188926 0.04201115
0.27789490 0.18209524 0.27979389
0.80026589 0.22736148 0.30407574
0.95066859 0.24318388 0.31340693
0.88071154 0.18522059 0.43969781
0.78194935 0.99331852 0.58226786
0.62181294 0.18159617 0.71037221
0.77658574 0.13585806 0.64558885
0.39016715 0.32193300 0.96666661
0.47535409 0.12459327 0.82635621
0.52353484 0.14958128 0.98111270
0.38718238 0.14180585 0.44671818
0.37457066 0.04643716 0.57463849
0.49071567 0.15137092 0.57122943
0.85516707 0.44435943 0.84398920
0.07373414 0.55411910 0.71977072
0.02918022 0.46876049 0.84128765
1.00583378 0.18887909 0.68881848
0.09877324 0.20717316 0.82193298
0.04842602 0.33336686 0.73728984
0.33723273 0.47878525 0.55479352
0.48375659 0.49033426 0.52333869
0.38435709 0.57998457 0.44205255
0.35318994 0.89414193 0.36457305
0.32023497 0.79669220 0.23741281
0.42151393 0.75590705 0.35414079
0.30312485 0.85353495 0.06902677
0.15975645 0.79917402 0.08493594
0.19093977 0.90125045 0.96980125
0.26023417 0.91071221 0.55472714
0.13986511 -0.00055798 0.55617412
0.12947607 0.84430365 0.59206600
No title
1
14.526154 -0.311092 -0.467079
-0.311374 13.764934 -0.019936
-0.470728 -0.016385 13.495369
C H O N F
110 60 25 10 30
Direct configuration= 93
0.07492483 0.03881444 0.95346765
0.92830601 0.01737098 0.75748243
0.95087733 0.93968918 0.82511255
0.02197032 0.95234829 0.92273565
0.06581119 0.05891961 0.05534356
0.97433372 0.92027311 0.01436773
0.95117041 -0.00687475 0.65909981
0.99113274 0.86366476 0.75873011
0.96336530 0.98558278 0.18015297
0.94514406 0.07513331 0.22069636
0.88632952 0.08151669 0.29735167
0.93007163 0.89911423 0.22149263
0.86819493 0.90428307 0.29437179
0.84260754 0.99410554 0.32835457
0.71028182 0.05396494 0.39598484
0.70628876 0.10978249 0.48411350
0.64768033 0.18872985 0.48747399
0.64988918 0.07012808 0.31504225
0.58663604 0.14275493 0.32237550
0.58823355 0.20423618 0.40586722
0.87900564 0.18286859 0.33877944
0.75573045 0.08138126 0.56913598
0.84520926 0.47322347 0.09460554
0.85458728 0.57601035 0.13852867
0.92011720 0.60231000 0.05605013
0.89613812 0.50304094 0.00746620
0.76922309 0.40592180 0.06890131
0.81554786 0.50097421 0.92658755
0.91317273 0.57849023 0.23504721
0.01383276 0.59695970 0.10815366
0.67621383 0.39245676 0.90607904
0.59211047 0.34471709 0.94660987
0.54119412 0.27906357 0.86862815
0.66936533 0.41994700 0.80345840
0.60294026 0.38101090 0.73719346
0.53385915 0.31277868 0.76645193
0.38136861 0.26379991 0.68324244
0.34505233 0.21028169 0.60008446
0.25152763 0.21496459 0.57110357
0.32265114 0.30827060 0.74409488
0.23105460 0.31557805 0.71134871
0.19525495 0.27266964 0.62279911
0.51394302 0.18804894 0.89135098
0.39998295 0.13919401 0.54889264
0.75109080 0.83791024 0.72568146
0.66452172 0.84942086 0.78917005
0.60630423 0.85034096 0.68950895
0.68767927 0.82455834 0.63069254
0.80198898 0.74608767 0.73542895
0.69402264 0.72181603 0.59858862
0.65820309 0.95204237 0.83128331
0.59415809 0.95691124 0.67091298
0.80707219 0.59501791 0.63493356
0.89684397 0.57956360 0.66987685
0.92414267 0.48382318 0.69136763
0.75367640 0.51775777 0.58984479
0.78329518 0.42395406 0.60289978
0.85948618 0.40349127 0.66657301
0.86036454 0.26780240 0.78599283
0.94307253 0.24307070 0.83474825
0.94359210 0.20429838 0.93043573
0.77733290 0.23752840 0.82330625
0.77790116 0.19009479 0.91481550
0.86035085 0.17816199 0.97113537
0.00843651 0.49482042 0.75073294
0.02373715 0.24261689 0.77311302
0.55361789 0.44507524 0.96034351
0.47516999 0.43760993 0.12732096
0.54532218 0.52080893 0.13143095
0.58520715 0.53121577 0.02595367
0.49922245 0.48197030 0.87992671
0.54541900 0.61942043 0.96901788
0.50783211 0.35898514 0.18199519
0.61658403 0.48644726 0.20718849
0.47320998 0.63390380 0.79192335
0.46660395 0.58207639 0.70208421
0.42345470 0.61758776 0.61604393
0.44600727 0.72966713 0.79216619
0.40950023 0.76885033 0.70374825
0.39427974 0.71298341 0.61745040
0.27609090 0.72541833 0.48939183
0.26119485 0.74953690 0.38933614
0.17359200 0.73128237 0.34265909
0.20777295 0.67747215 0.54058253
0.12105352 0.65891448 0.49322887
0.10314903 0.68821354 0.39548117
0.40682530 0.54388062 0.53280018
0.33883333 0.79831751 0.33699870
0.21109973 0.39685927 0.18919466
0.29698434 0.34237208 0.22754460
0.28741090 0.27528043 0.13610093
0.19581421 0.32629016 0.10079454
0.24421640 0.49201986 0.14667131
0.20662951 0.38871314 0.01083408
0.28348145 0.27738253 0.31464110
0.28452984 0.17300907 0.17736738
0.25486154 0.56130597 0.97628099
0.24963401 0.65490686 0.01298597
0.23954893 0.73629254 0.95260861
0.26108588 0.54988258 0.87401928
0.25618093 0.63105755 0.81387965
0.24301422 0.72498387 0.84885841
0.25512203 0.88931413 0.78096017
0.21340418 0.95376609 0.71156624
0.21638892 0.05225340 0.73647834
0.31697101 0.92700437 0.85566186
0.32029598 0.02571549 0.87816474
0.26530095 0.08781275 0.82203024
0.22407424 0.82276043 0.01686516
0.18487101 0.92748785 0.60569734
0.12468378 0.07870943 0.91128084
0.89492024 0.08289561 0.77636139
0.89167700 0.90693173 0.86252776
0.06555047 0.89276607 0.90235821
0.97803924 0.14069812 0.19236297
0.94912705 0.82967874 0.19270216
0.83600178 0.83887975 0.32466899
0.64257897 0.22380279 0.55936811
0.65165187 0.02670990 0.24769074
0.53513033 0.15405122 0.26185028
0.53663303 0.25895970 0.40921998
0.00543093 0.86333654 0.60648904
0.73836050 0.51423735 0.27783937
0.79130341 0.61587818 0.14167058
0.90966615 0.66697354 0.00983909
0.95287368 0.46004430 0.98479432
0.60742068 0.30598736 0.01590309
0.72116137 0.47099149 0.77786141
0.59984718 0.40230180 0.65952736
0.22307737 0.17293838 0.50729388
0.34812391 0.33982818 0.81438785
0.18879896 0.35398231 0.75982403
0.12330656 0.27867855 0.59707358
0.05967871 0.58536351 0.25997248
0.79984724 0.90093832 0.73124006
0.65355061 0.79323487 0.84501787
0.54250451 0.80697355 0.67644264
0.69679113 0.86930260 0.56504441
0.94133308 0.64083465 0.69701931
0.68770403 0.53212165 0.55094663
0.74020748 0.36242390 0.57374161
1.00919872 0.19270265 0.97068698
0.71238540 0.24119159 0.77810762
0.71324180 0.16051149 0.94148855
0.85939118 0.14424914 0.04402374
0.62149875 0.09037789 0.74700871
0.43679611 0.36393829 1.00271188
0.40438901 0.44500575 0.09943687
0.52140329 0.59183868 0.15427602
0.66031214 0.54765517 0.03016448
0.49109825 0.50966779 0.69841918
0.45515999 0.77254711 0.86014418
0.39181246 0.84477974 0.70009991
0.16140285 0.75115782 0.26499076
0.21948654 0.66378866 0.61935198
0.06576594 0.62569459 0.53425625
0.03286476 0.67950478 0.36288112
0.64370545 0.35180215 0.26728482
0.15717675 0.40642113 0.24095940
0.35921507 0.38904769 0.24311543
0.34011218 0.27891104 0.08288446
0.13426065 0.27782856 0.09194642
0.24782920 0.66497370 0.09225788
0.26926108 0.47945634 0.84064772
0.26315958 0.62160892 0.73497786
0.17997696 0.10139436 0.68656864
0.35507379 0.87764323 0.90406352
0.36169329 0.05194203 0.94363843
0.26273873 0.16407162 0.84187268
0.28122159 0.12337572 0.32543063
0.09732090 0.12813095 0.10795597
0.91524716 0.85472333 0.01951826
0.95075375 0.03921451 0.58055314
0.03601503 0.79388552 0.78600330
0.77679382 0.98715695 0.39744290
0.72463919 0.34758207 0.11898245
0.77704927 0.57661294 0.89945947
0.88563388 0.56554073 0.31849840
0.08674328 0.58924729 0.06995196
0.47618180 0.28236381 0.69188004
0.85870136 0.72414973 0.80048867
0.64328927 0.67699900 0.53686613
0.68366597 0.98001610 0.91536125
0.57411306 0.99006580 0.58840295
0.86503817 0.30748190 0.69006511
0.45288437 0.43466794 0.81420430
0.54898394 0.70349445 0.99835597
0.48191821 0.27369684 0.19613441
0.68778922 0.54332677 0.23659597
0.35925570 0.75782864 0.53385073
0.27368382 0.56276022 0.19555697
0.18672075 0.36536563 0.92467022
0.27919612 0.30536917 0.39997614
0.29341640 0.09663740 0.13385745
0.23226059 0.79151969 0.77258887
0.00784575 0.98196451 0.09186610
0.97258093 0.89263968 0.66276498
0.75129217 0.41885199 0.96392392
0.00387555 0.59107373 0.21048946
0.77238103 0.68641058 0.65053240
0.62034237 0.00931212 0.75574104
0.50465921 0.58472116 0.87864722
0.59761407 0.39731304 0.23365373
0.24360114 0.48188045 0.04202768
0.27785963 0.18208084 0.27979721
0.80026308 0.22735897 0.30409748
0.95066270 0.24318311 0.31340773
0.88072389 0.18522296 0.43971184
0.78189616 0.99334973 0.58228607
0.62181458 0.18159924 0.71038918
0.77656603 0.13587885 0.64555722
0.39016541 0.32196295 0.96668458
0.47535967 0.12458369 0.82636567
0.52353878 0.14957816 0.98112801
0.38715180 0.14176826 0.44670848
0.37461487 0.04641927 0.57465750
0.49072067 0.15139604 0.57118350
0.85514647 0.44441504 0.84397051
0.07373658 0.55413157 0.71977269
0.02917097 0.46874460 0.84124966
1.00590039 0.18882259 0.68884765
0.09882819 0.20722789 0.82196036
0.04843342 0.33335423 0.73723426
0.33724537 0.47879805 0.55476607
0.48377807 0.49030553 0.52334957
0.38441811 0.57998451 0.44203768
0.35318264 0.89414795 0.36456420
0.32021905 0.79670405 0.23739484
0.42150553 0.75591187 0.35411275
0.30317566 0.85357008 0.06899339
0.15982909 0.79919297 0.08498958
0.19093492 0.90124541 0.96980844
0.26021922 0.91072114 0.55472172
0.13983232 -0.00057672 0.55620338
0.12948912 0.84428180 0.59210774
No title
1
14.526587 -0.310418 -0.467212
-0.310814 13.763308 -0.020984
-0.470955 -0.017438 13.493312
C H O N F
110 60 25 10 30
Direct configuration= 94
0.07482602 0.03873688 0.95347336
0.92823391 0.01725683 0.75738744
0.95080280 0.93947856 0.82513829
0.02191949 0.95215824 0.92269470
0.06576392 0.05883994 0.05534543
0.97432054 0.92012674 0.01437650
0.95101632 -0.00702690 0.65906171
0.99109774 0.86351542 0.75862611
0.96332666 0.98547694 0.18019623
0.94513182 0.07506865 0.22074321
0.88631413 0.08147868 0.29740395
0.93002257 0.89902556 0.22154946
0.86814550 0.90423771 0.29444223
0.84257287 0.99409938 0.32841992
0.71023085 0.05399509 0.39595426
0.70623581 0.10989308 0.48410794
0.64763141 0.18889747 0.48732612
0.64986691 0.07011136 0.31497515
0.58663437 0.14276664 0.32223156
0.58820754 0.20434973 0.40567697
0.87900517 0.18286718 0.33884026
0.75560282 0.08152169 0.56914652
0.84518872 0.47325776 0.09465485
0.85456148 0.57600204 0.13866724
0.92008042 0.60234999 0.05619787
0.89610019 0.50310276 0.00750917
0.76914904 0.40593357 0.06895417
0.81546254 0.50109494 0.92663734
0.91312860 0.57839119 0.23519981
0.01380692 0.59698385 0.10831238
0.67616239 0.39247771 0.90611260
0.59206911 0.34474211 0.94667630
0.54114355 0.27905810 0.86869436
0.66930873 0.41993407 0.80348746
0.60289043 0.38096685 0.73719737
0.53382464 0.31272295 0.76648887
0.38134564 0.26376369 0.68324461
0.34504085 0.21017588 0.60004670
0.25153546 0.21490453 0.57105171
0.32262941 0.30831494 0.74399703
0.23107867 0.31571891 0.71120723
0.19527720 0.27271038 0.62262523
0.51393968 0.18804095 0.89141764
0.40000315 0.13912184 0.54884409
0.75105393 0.83784917 0.72554222
0.66450302 0.84936215 0.78905206
0.60626712 0.85025619 0.68938379
0.68764296 0.82451358 0.63052627
0.80191979 0.74603530 0.73524781
0.69405188 0.72178952 0.59834878
0.65818746 0.95199727 0.83114273
0.59404869 0.95683320 0.67080832
0.80708374 0.59496087 0.63475636
0.89687525 0.57955091 0.66966799
0.92418078 0.48381685 0.69120338
0.75366140 0.51763319 0.58976521
0.78333467 0.42384200 0.60284925
0.85959028 0.40345991 0.66646018
0.86060610 0.26782939 0.78591901
0.94327411 0.24312952 0.83470610
0.94380426 0.20440595 0.93044258
0.77753399 0.23760100 0.82321884
0.77811701 0.19021795 0.91477765
0.86052888 0.17831217 0.97112051
0.00848699 0.49482611 0.75066714
0.02397482 0.24262836 0.77311026
0.55364988 0.44513293 0.96040495
0.47512119 0.43775574 0.12738813
0.54530177 0.52093463 0.13150501
0.58524262 0.53128994 0.02603371
0.49923205 0.48205756 0.87994122
0.54554732 0.61952935 0.96905197
0.50775307 0.35912227 0.18215190
0.61653918 0.48660350 0.20732520
0.47332132 0.63398614 0.79192810
0.46681070 0.58212869 0.70207547
0.42360935 0.61757699 0.61601444
0.44600782 0.72971363 0.79215339
0.40948051 0.76885821 0.70371439
0.39432127 0.71294126 0.61740400
0.27611278 0.72533601 0.48932252
0.26117709 0.74954752 0.38925599
0.17355136 0.73138323 0.34262720
0.20782357 0.67733892 0.54047232
0.12107886 0.65887591 0.49316627
0.10311749 0.68832281 0.39543855
0.40699511 0.54385537 0.53275216
0.33879495 0.79834792 0.33690857
0.21104835 0.39686164 0.18927437
0.29690125 0.34232669 0.22761905
0.28732261 0.27523945 0.13614049
0.19572095 0.32627356 0.10086111
0.24419039 0.49197542 0.14672651
0.20653575 0.38870220 0.01092917
0.28330272 0.27732437 0.31468715
0.28444442 0.17294927 0.17738429
0.25483194 0.56127509 0.97634035
0.24964413 0.65487911 0.01304718
0.23962150 0.73628794 0.95268009
0.26108355 0.54982466 0.87404995
0.25622573 0.63101942 0.81391672
0.24308972 0.72495732 0.84890700
0.25519795 0.88931903 0.78103922
0.21347842 0.95377618 0.71165788
0.21647684 0.05227894 0.73656654
0.31705266 0.92700765 0.85577506
0.32034849 0.02573293 0.87829290
0.26538741 0.08783993 0.82215770
0.22424640 0.82281138 0.01692960
0.18485673 0.92744427 0.60580556
0.12451362 0.07864271 0.91122043
0.89490717 0.08281049 0.77637550
0.89166707 0.90676993 0.86245328
0.06549849 0.89263885 0.90233940
0.97804638 0.14061245 0.19241425
0.94905386 0.82956895 0.19278017
0.83593611 0.83884903 0.32475267
0.64252881 0.22405270 0.55919222
0.65164939 0.02663066 0.24765367
0.53512486 0.15402472 0.26166606
0.53662413 0.25908454 0.40896120
0.00529358 0.86319113 0.60635281
0.73828953 0.51437824 0.27802607
0.79127861 0.61588316 0.14184166
0.90963519 0.66706524 0.01003874
0.95281067 0.46011502 0.98477820
0.60738651 0.30603159 0.01598691
0.72109895 0.47098109 0.77786427
0.59979307 0.40221953 0.65953140
0.22308165 0.17282780 0.50723300
0.34811007 0.33993493 0.81431614
0.18882213 0.35424170 0.75957568
0.12336606 0.27879889 0.59684234
0.05963304 0.58523847 0.26015502
0.79980920 0.90089088 0.73112250
0.65355513 0.79318303 0.84491849
0.54249125 0.80684735 0.67632292
0.69671954 0.86929848 0.56489982
0.94135977 0.64085850 0.69674858
0.68766423 0.53196021 0.55091808
0.74025628 0.36227051 0.57373337
1.00938483 0.19284605 0.97072768
0.71260430 0.24126095 0.77802073
0.71343348 0.16066443 0.94144265
0.85957139 0.14444889 0.04404829
0.62143467 0.09032855 0.74695838
0.43672459 0.36405813 1.00292228
0.40433645 0.44519432 0.09958683
0.52139019 0.59199105 0.15432168
0.66035032 0.54767409 0.03030045
0.49142688 0.50976307 0.69842357
0.45509696 0.77261763 0.86014704
0.39173734 0.84477066 0.70003852
0.16132703 0.75133750 0.26496240
0.21958736 0.66351329 0.61923448
0.06580419 0.62562184 0.53418070
0.03281827 0.67972055 0.36287995
0.64358109 0.35195214 0.26752766
0.15714807 0.40646833 0.24106606
0.35914176 0.38896713 0.24325211
0.34001323 0.27888545 0.08289956
0.13416387 0.27781683 0.09204533
0.24782440 0.66495739 0.09233454
0.26923914 0.47938874 0.84068357
0.26321632 0.62155607 0.73500087
0.18007220 0.10143096 0.68665274
0.35515344 0.87764849 0.90416249
0.36173071 0.05195051 0.94381168
0.26282515 0.16411149 0.84200544
0.28097620 0.12329714 0.32544588
0.09726030 0.12797731 0.10794049
0.91526309 0.85449556 0.01954638
0.95052208 0.03908510 0.58046679
0.03598702 0.79375396 0.78588384
0.77674810 0.98718867 0.39750931
0.72456634 0.34770891 0.11904625
0.77689015 0.57673925 0.89967223
0.88557998 0.56540328 0.31865772
0.08672308 0.58939556 0.07011318
0.47616246 0.28228519 0.69190751
0.85865365 0.72404064 0.80038794
0.64338869 0.67697768 0.53650123
0.68374141 0.98002976 0.91525148
0.57392611 0.98998929 0.58829757
0.86528672 0.30744186 0.68995454
0.45288312 0.43476920 0.81424543
0.54919743 0.70361904 0.99835907
0.48181353 0.27387794 0.19633415
0.68773442 0.54345572 0.23675561
0.35928433 0.75774719 0.53377513
0.27375630 0.56275749 0.19565237
0.18659403 0.36534352 0.92466579
0.27893331 0.30532617 0.40002860
0.29339856 0.09658348 0.13387596
0.23235017 0.79151122 0.77264519
0.00780232 0.98183297 0.09189432
0.97247274 0.89248556 0.66266539
0.75127404 0.41886437 0.96395248
0.00383140 0.59094601 0.21065470
0.77237825 0.68635118 0.65033211
0.62026411 0.00925689 0.75563809
0.50475966 0.58481083 0.87867969
0.59752896 0.39745197 0.23382484
0.24353215 0.48185732 0.04208100
0.27767201 0.18201493 0.27982195
0.80024534 0.22734766 0.30421052
0.95063361 0.24318227 0.31341210
0.88078849 0.18523502 0.43979257
0.78163125 0.99346526 0.58240211
0.62182641 0.18161854 0.71047484
0.77649960 0.13607399 0.64552209
0.39014629 0.32211207 0.96677213
0.47538959 0.12453504 0.82641607
0.52356020 0.14956380 0.98120793
0.38698908 0.14157062 0.44665346
0.37484714 0.04632637 0.57475811
0.49075311 0.15152666 0.57094211
0.85503905 0.44470769 0.84387071
0.07375815 0.55419890 0.71978414
0.02914327 0.46864120 0.84112888
1.00625015 0.18852707 0.68899962
0.09912355 0.20751637 0.82210693
0.04847329 0.33329654 0.73693935
0.33731087 0.47886434 0.55462101
0.48389134 0.49015469 0.52340686
0.38473852 0.57998558 0.44195650
0.35314436 0.89418134 0.36451801
0.32013308 0.79676521 0.23729566
0.42146427 0.75593622 0.35396514
0.30344561 0.85375489 0.06881984
0.16021071 0.79929236 0.08527310
0.19091073 0.90121579 0.96984906
0.26014435 0.91076697 0.55469045
0.13966136 -0.00067681 0.55635731
0.12955908 0.84416592 0.59232848
No title
1
14.526767 -0.310307 -0.467317
-0.310727 13.763006 -0.021243
-0.471081 -0.017698 13.492773
C H O N F
110 60 25 10 30
Direct configuration= 95
0.07479480 0.03869495 0.95344736
0.92821611 0.01720355 0.75742401
0.95081332 0.93947906 0.82508219
0.02189770 0.95215017 0.92270416
0.06572479 0.05876692 0.05532427
0.97430056 0.92006622 0.01438306
0.95098295 -0.00704795 0.65900645
0.99107144 0.86349273 0.75861095
0.96331897 0.98545433 0.18020343
0.94512779 0.07504641 0.22075512
0.88631140 0.08147869 0.29741703
0.93000679 0.89900874 0.22156842
0.86813331 0.90422837 0.29445910
0.84256542 0.99408881 0.32843322
0.71022163 0.05400808 0.39596795
0.70620657 0.10992486 0.48407532
0.64762838 0.18892987 0.48729791
0.64986276 0.07010713 0.31495899
0.58662559 0.14277426 0.32219225
0.58820611 0.20436979 0.40562986
0.87900689 0.18286191 0.33885536
0.75557422 0.08155472 0.56914956
0.84517345 0.47324835 0.09466330
0.85454988 0.57600292 0.13869708
0.92007634 0.60236400 0.05622989
0.89608389 0.50311981 0.00752158
0.76917227 0.40598288 0.06894340
0.81544631 0.50111807 0.92665529
0.91311781 0.57836630 0.23524858
0.01379298 0.59698959 0.10835099
0.67615286 0.39248268 0.90612793
0.59206135 0.34474594 0.94669155
0.54113464 0.27906807 0.86870894
0.66929626 0.41993497 0.80348298
0.60287809 0.38095142 0.73721289
0.53382421 0.31271432 0.76649377
0.38134319 0.26373823 0.68321977
0.34504580 0.21016427 0.60005649
0.25153571 0.21487880 0.57102475
0.32263052 0.30833832 0.74400012
0.23107189 0.31573992 0.71114792
0.19528900 0.27273420 0.62260984
0.51393427 0.18802436 0.89143592
0.40000669 0.13910162 0.54883217
0.75104616 0.83784097 0.72550804
0.66449774 0.84934736 0.78902302
0.60625718 0.85023610 0.68935385
0.68763512 0.82450314 0.63049036
0.80193110 0.74600831 0.73523271
0.69404702 0.72176789 0.59827479
0.65819494 0.95199954 0.83114449
0.59402388 0.95681314 0.67078609
0.80708537 0.59493895 0.63471125
0.89687867 0.57954777 0.66961849
0.92421886 0.48382385 0.69118290
0.75366453 0.51760869 0.58975159
0.78333957 0.42381462 0.60283476
0.85961051 0.40344227 0.66643234
0.86064334 0.26783772 0.78589668
0.94333527 0.24313772 0.83470758
0.94384255 0.20443304 0.93043735
0.77759508 0.23761763 0.82320471
0.77815280 0.19024821 0.91476088
0.86058395 0.17834574 0.97112435
0.00846804 0.49482814 0.75061450
0.02402798 0.24262553 0.77310935
0.55364782 0.44515453 0.96040720
0.47512167 0.43777720 0.12741336
0.54529708 0.52096581 0.13152253
0.58525099 0.53130513 0.02605201
0.49925283 0.48207752 0.87997279
0.54557850 0.61955476 0.96906268
0.50773856 0.35919088 0.18217759
0.61651634 0.48661524 0.20735864
0.47334818 0.63400187 0.79192744
0.46685809 0.58214437 0.70207460
0.42364617 0.61757281 0.61600814
0.44600788 0.72972877 0.79215422
0.40947574 0.76885389 0.70370131
0.39433241 0.71293505 0.61739831
0.27612207 0.72532342 0.48929296
0.26117738 0.74954813 0.38924882
0.17354096 0.73141009 0.34260926
0.20783590 0.67730437 0.54045879
0.12107857 0.65886871 0.49314009
0.10311169 0.68834416 0.39544171
0.40703513 0.54384920 0.53274227
0.33878275 0.79835537 0.33688800
0.21103462 0.39686085 0.18929488
0.29688175 0.34231560 0.22763651
0.28730487 0.27523118 0.13614799
0.19569935 0.32626845 0.10087845
0.24420030 0.49200493 0.14676369
0.20650297 0.38868820 0.01089656
0.28325998 0.27731162 0.31470129
0.28442501 0.17291951 0.17738143
0.25482638 0.56126199 0.97634266
0.24964598 0.65488011 0.01306665
0.23963929 0.73628331 0.95269398
0.26108215 0.54981687 0.87406494
0.25623700 0.63100508 0.81392243
0.24310649 0.72495803 0.84892224
0.25522070 0.88932031 0.78106497
0.21349536 0.95377859 0.71167814
0.21649885 0.05228841 0.73659047
0.31706491 0.92701099 0.85579243
0.32036861 0.02573246 0.87833227
0.26540090 0.08784934 0.82217869
0.22428536 0.82282874 0.01694377
0.18484870 0.92743549 0.60582916
0.12447743 0.07863174 0.91120418
0.89490619 0.08278913 0.77637385
0.89163538 0.90671553 0.86245191
0.06550079 0.89259369 0.90233145
0.97804881 0.14059510 0.19242550
0.94903793 0.82953916 0.19279584
0.83592125 0.83884261 0.32477180
0.64251607 0.22411239 0.55915108
0.65164858 0.02661085 0.24764263
0.53512803 0.15401712 0.26162763
0.53661810 0.25911753 0.40890054
0.00526304 0.86315804 0.60631856
0.73827687 0.51440931 0.27807313
0.79127488 0.61588366 0.14188163
0.90962801 0.66708463 0.01008727
0.95279929 0.46012902 0.98477279
0.60737845 0.30604137 0.01600591
0.72108165 0.47097548 0.77786678
0.59978049 0.40220204 0.65952568
0.22308460 0.17280464 0.50722409
0.34810365 0.33995605 0.81429001
0.18882562 0.35430529 0.75952200
0.12337610 0.27882629 0.59678632
0.05962086 0.58520930 0.26019701
0.79979955 0.90087758 0.73109487
0.65355627 0.79317115 0.84489518
0.54248877 0.80681808 0.67629473
0.69670344 0.86929858 0.56486422
0.94136659 0.64086377 0.69668572
0.68765201 0.53192264 0.55090952
0.74026950 0.36223594 0.57373269
1.00943267 0.19287932 0.97073949
0.71265132 0.24127747 0.77799802
0.71348172 0.16070095 0.94143151
0.85961280 0.14449628 0.04405195
0.62141975 0.09031816 0.74694681
0.43671109 0.36408935 1.00297416
0.40431835 0.44523999 0.09962024
0.52138691 0.59202719 0.15433212
0.66036011 0.54767916 0.03033192
0.49150409 0.50978399 0.69842425
0.45508219 0.77263289 0.86014566
0.39171930 0.84477131 0.70002433
0.16130990 0.75137900 0.26495984
0.21961044 0.66344950 0.61920295
0.06581351 0.62560483 0.53416358
0.03280554 0.67977102 0.36287851
0.64355514 0.35198433 0.26758705
0.15714148 0.40647939 0.24109048
0.35912470 0.38894888 0.24328381
0.33998861 0.27887931 0.08290419
0.13414081 0.27781410 0.09206757
0.24782355 0.66495287 0.09235122
0.26923434 0.47937014 0.84069069
0.26322936 0.62154454 0.73500755
0.18009482 0.10143871 0.68667312
0.35517440 0.87764746 0.90418834
0.36173750 0.05195168 0.94384877
0.26284551 0.16412030 0.84203670
0.28091869 0.12327767 0.32544972
0.09727059 0.12799564 0.10797634
0.91528448 0.85446332 0.01955227
0.95046760 0.03904011 0.58046975
0.03599487 0.79370325 0.78585914
0.77673950 0.98719528 0.39752207
0.72452503 0.34770657 0.11908581
0.77685023 0.57677375 0.89972028
0.88556925 0.56537232 0.31868419
0.08672366 0.58942968 0.07014831
0.47615290 0.28226606 0.69191521
0.85861965 0.72402345 0.80033886
0.64342332 0.67698300 0.53643103
0.68374948 0.98002214 0.91519434
0.57388104 0.98997287 0.58826925
0.86534529 0.30743565 0.68992823
0.45287285 0.43478601 0.81424212
0.54924684 0.70364639 0.99835855
0.48178127 0.27389543 0.19638512
0.68772394 0.54349441 0.23679172
0.35928913 0.75772729 0.53375679
0.27375902 0.56272335 0.19565283
0.18657498 0.36535089 0.92471142
0.27887187 0.30531561 0.40003872
0.29339269 0.09658377 0.13388677
0.23237083 0.79150741 0.77265814
0.00779336 0.98180511 0.09189364
0.97244623 0.89245162 0.66264577
0.75126291 0.41886416 0.96395515
0.00382244 0.59091625 0.21069384
0.77237325 0.68634631 0.65028642
0.62024547 0.00924140 0.75561277
0.50478052 0.58483651 0.87868121
0.59750993 0.39750347 0.23385803
0.24351440 0.48184843 0.04209878
0.27762842 0.18200212 0.27982636
0.80023903 0.22734646 0.30423569
0.95062756 0.24318272 0.31341275
0.88080347 0.18523838 0.43981100
0.78157294 0.99348047 0.58243026
0.62182929 0.18162213 0.71049476
0.77648754 0.13612877 0.64552390
0.39013880 0.32214440 0.96679024
0.47539841 0.12452676 0.82643078
0.52356521 0.14956273 0.98122436
0.38695091 0.14152334 0.44663944
0.37490205 0.04630431 0.57478233
0.49076130 0.15155786 0.57088592
0.85501436 0.44477635 0.84384714
0.07376716 0.55421675 0.71978805
0.02914377 0.46861111 0.84112372
1.00633250 0.18845913 0.68903564
0.09919060 0.20758380 0.82214069
0.04848490 0.33328683 0.73686974
0.33732617 0.47887979 0.55458691
0.48391862 0.49011957 0.52342038
0.38481323 0.57998638 0.44193654
0.35313571 0.89418968 0.36450743
0.32011310 0.79677968 0.23727123
0.42145641 0.75594106 0.35393072
0.30350828 0.85379785 0.06877947
0.16029928 0.79931533 0.08533977
0.19090658 0.90120620 0.96986014
0.26012876 0.91077766 0.55468260
0.13962272 -0.00070145 0.55639491
0.12957695 0.84413952 0.59238060
No title
1
14.527142 -0.309863 -0.467497
-0.310359 13.761935 -0.021938
-0.471320 -0.018399 13.491408
C H O N F
110 60 25 10 30
Direct configuration= 96
0.07470859 0.03857903 0.95337413
0.92815591 0.01708885 0.75743853
0.95079564 0.93940682 0.82499720
0.02183768 0.95206526 0.92270360
0.06567105 0.05870095 0.05539617
0.97429303 0.91994754 0.01438743
0.95087224 -0.00716226 0.65897164
0.99104010 0.86336497 0.75855962
0.96329437 0.98538411 0.18023070
0.94511670 0.07498833 0.22079220
0.88630140 0.08146157 0.29745589
0.92996574 0.89894558 0.22161541
0.86809334 0.90419612 0.29451442
0.84254102 0.99407230 0.32847803
0.71018189 0.05403920 0.39596418
0.70614371 0.11001505 0.48402798
0.64759975 0.18904703 0.48719152
0.64985114 0.07009715 0.31491947
0.58661284 0.14278674 0.32207496
0.58819808 0.20444248 0.40549146
0.87900952 0.18285532 0.33889979
0.75547762 0.08166656 0.56915605
0.84514859 0.47325028 0.09469804
0.85452516 0.57599670 0.13879698
0.92005468 0.60240054 0.05633589
0.89604102 0.50317004 0.00755328
0.76913253 0.40600470 0.06899247
0.81538758 0.50121070 0.92669711
0.91309263 0.57829534 0.23535144
0.01377128 0.59700521 0.10846831
0.67611685 0.39249646 0.90616316
0.59203369 0.34476357 0.94673795
0.54109747 0.27906609 0.86875879
0.66925427 0.41992860 0.80349030
0.60284740 0.38091912 0.73723044
0.53380148 0.31267371 0.76651966
0.38132774 0.26370085 0.68320662
0.34504097 0.21009554 0.60004179
0.25154236 0.21482581 0.57097796
0.32261820 0.30837861 0.74394220
0.23108376 0.31583662 0.71102794
0.19530984 0.27277245 0.62249784
0.51393120 0.18801777 0.89148575
0.40001991 0.13904383 0.54879742
0.75102148 0.83780290 0.72540421
0.66448410 0.84930372 0.78893535
0.60622869 0.85017371 0.68926106
0.68760969 0.82446697 0.63037004
0.80189242 0.74596054 0.73510920
0.69407708 0.72175392 0.59810560
0.65818399 0.95196450 0.83103797
0.59394090 0.95676059 0.67069780
0.80709245 0.59489104 0.63457679
0.89689856 0.57954144 0.66946305
0.92428092 0.48382687 0.69108373
0.75365969 0.51752098 0.58969749
0.78336428 0.42373062 0.60279459
0.85968341 0.40340495 0.66634903
0.86080427 0.26785967 0.78583866
0.94349674 0.24317602 0.83468417
0.94398893 0.20451293 0.93043700
0.77775601 0.23767105 0.82314589
0.77829951 0.19033966 0.91472906
0.86072490 0.17845482 0.97111963
0.00847515 0.49483029 0.75053152
0.02420192 0.24262616 0.77311060
0.55366080 0.44521109 0.96043762
0.47509114 0.43788187 0.12746661
0.54528336 0.52105898 0.13157698
0.58527622 0.53135584 0.02611058
0.49927119 0.48212847 0.88000022
0.54567422 0.61962096 0.96908632
0.50767566 0.35928060 0.18229513
0.61647987 0.48672644 0.20745712
0.47343029 0.63406122 0.79192898
0.46700991 0.58218603 0.70206691
0.42376109 0.61756435 0.61598842
0.44600847 0.72976602 0.79214765
0.40946143 0.76885441 0.70367205
0.39436449 0.71290579 0.61736800
0.27614286 0.72526862 0.48923338
0.26116780 0.74955529 0.38919738
0.17351100 0.73148774 0.34257873
0.20787228 0.67720389 0.54038487
0.12109190 0.65884108 0.49308736
0.10309020 0.68842233 0.39542025
0.40716170 0.54382934 0.53270986
0.33874912 0.79837948 0.33682389
0.21099522 0.39686452 0.18935444
0.29681895 0.34228005 0.22769136
0.28724215 0.27519981 0.13617349
0.19563269 0.32625761 0.10092484
0.24417858 0.49196826 0.14680316
0.20643281 0.38867860 0.01096450
0.28312718 0.27726493 0.31473091
0.28435679 0.17291056 0.17741136
0.25480583 0.56123153 0.97637979
0.24965367 0.65486665 0.01311610
0.23969359 0.73627900 0.95274641
0.26108000 0.54977954 0.87409364
0.25627046 0.63097530 0.81394912
0.24316207 0.72494240 0.84896128
0.25527892 0.88932089 0.78112765
0.21355045 0.95378757 0.71174638
0.21656468 0.05231077 0.73665865
0.31712078 0.92701692 0.85586920
0.32041398 0.02574081 0.87843433
0.26545856 0.08787117 0.82226417
0.22441308 0.82287301 0.01698923
0.18483154 0.92740422 0.60590746
0.12436359 0.07859784 0.91114850
0.89490548 0.08271034 0.77637377
0.89158406 0.90657035 0.86242193
0.06548675 0.89247591 0.90230798
0.97805606 0.14053525 0.19246177
0.94898493 0.82945288 0.19284966
0.83587393 0.83882117 0.32483224
0.64247732 0.22429874 0.55902173
0.65164659 0.02654856 0.24760925
0.53513062 0.15399618 0.26149775
0.53660467 0.25921581 0.40870854
0.00516365 0.86305195 0.60621866
0.73823069 0.51450968 0.27821622
0.79125806 0.61588634 0.14200720
0.90960531 0.66714870 0.01023770
0.95275716 0.46017815 0.98475897
0.60735419 0.30607304 0.01606889
0.72103254 0.47096415 0.77787019
0.59974078 0.40214239 0.65952181
0.22308908 0.17272330 0.50718385
0.34809202 0.34003423 0.81423176
0.18884128 0.35449958 0.75934155
0.12341740 0.27891367 0.59661504
0.05958463 0.58511691 0.26032976
0.79977092 0.90083884 0.73100706
0.65355964 0.79313253 0.84482068
0.54247974 0.80672506 0.67620526
0.69665216 0.86929659 0.56475441
0.94138529 0.64087902 0.69648552
0.68761987 0.53180269 0.55088660
0.74030812 0.36212420 0.57372870
1.00957561 0.19298560 0.97077316
0.71280846 0.24132922 0.77793246
0.71362674 0.16081452 0.94139755
0.85974536 0.14464426 0.04406906
0.62137199 0.09028168 0.74690884
0.43666121 0.36418123 1.00313253
0.40427704 0.44537989 0.09973056
0.52137654 0.59214067 0.15436560
0.66038973 0.54769420 0.03043161
0.49174632 0.50985363 0.69842758
0.45503597 0.77268438 0.86014565
0.39166356 0.84476740 0.69997886
0.16125425 0.75151262 0.26494260
0.21968473 0.66324612 0.61911405
0.06584273 0.62555167 0.53410779
0.03276953 0.67993057 0.36287683
0.64346094 0.35209771 0.26776446
0.15711890 0.40651377 0.24116865
0.35907046 0.38889005 0.24338445
0.33991352 0.27886086 0.08291765
0.13406755 0.27780466 0.09213886
0.24782048 0.66494082 0.09240765
0.26921864 0.47931864 0.84071636
0.26327078 0.62150710 0.73502526
0.18016555 0.10146453 0.68673669
0.35523565 0.87764937 0.90426348
0.36176417 0.05195744 0.94397375
0.26290930 0.16414966 0.84213495
0.28073642 0.12322055 0.32546014
0.09723359 0.12790130 0.10797113
0.91529630 0.85429748 0.01957535
0.95029593 0.03894714 0.58039799
0.03597666 0.79360533 0.78576530
0.77671150 0.98721486 0.39756763
0.72447266 0.34780294 0.11912674
0.77673197 0.57686633 0.89987748
0.88552413 0.56526858 0.31880982
0.08670750 0.58953958 0.07026808
0.47613516 0.28220643 0.69193631
0.85857441 0.72394433 0.80025409
0.64348870 0.67695902 0.53615542
0.68380566 0.98003234 0.91511412
0.57374492 0.98991218 0.58820006
0.86552773 0.30741219 0.68984453
0.45287097 0.43486355 0.81427119
0.54940392 0.70374940 0.99836399
0.48170861 0.27404365 0.19653120
0.68767825 0.54359665 0.23690450
0.35930830 0.75766703 0.53369948
0.27381202 0.56272347 0.19572597
0.18648354 0.36533736 0.92471068
0.27867699 0.30528490 0.40008055
0.29338225 0.09651375 0.13388239
0.23243725 0.79150289 0.77270047
0.00776308 0.98171227 0.09190185
0.97236462 0.89234152 0.66256716
0.75124404 0.41887238 0.96396791
0.00379015 0.59082205 0.21081730
0.77236803 0.68630654 0.65013755
0.62018817 0.00919782 0.75553743
0.50485238 0.58490943 0.87870090
0.59744913 0.39760466 0.23398490
0.24346470 0.48183441 0.04213945
0.27749011 0.18195364 0.27984566
0.80022325 0.22733972 0.30431646
0.95060720 0.24318208 0.31341571
0.88085088 0.18524810 0.43987127
0.78138709 0.99354135 0.58251823
0.62183910 0.18163543 0.71055786
0.77644635 0.13628929 0.64551366
0.39012215 0.32225264 0.96685206
0.47542089 0.12449102 0.82647007
0.52358094 0.14955359 0.98128495
0.38682982 0.14137426 0.44659843
0.37507409 0.04623560 0.57485908
0.49078600 0.15165460 0.57070846
0.85493507 0.44499256 0.84377339
0.07378648 0.55426980 0.71980198
0.02913081 0.46852861 0.84105196
1.00658930 0.18824217 0.68914630
0.09940466 0.20779404 0.82224827
0.04851792 0.33324938 0.73665272
0.33737549 0.47892936 0.55447879
0.48400461 0.49000892 0.52346325
0.38504870 0.57998837 0.44187486
0.35310783 0.89421493 0.36447370
0.32004899 0.79682474 0.23719558
0.42142894 0.75595780 0.35382168
0.30370570 0.85393437 0.06865344
0.16057777 0.79938934 0.08554933
0.19089013 0.90118185 0.96989235
0.26007644 0.91081245 0.55465934
0.13949864 -0.00077641 0.55651111
0.12963105 0.84405568 0.59254406
No title
1
14.527338 -0.309523 -0.467572
-0.310077 13.761104 -0.022505
-0.471445 -0.018967 13.490285
C H O N F
110 60 25 10 30
Direct configuration= 97
0.07466100 0.03854992 0.95340419
0.92811693 0.01703952 0.75738630
0.95074895 0.93929133 0.82501954
0.02181340 0.95196209 0.92267430
0.06563777 0.05862707 0.05534630
0.97427706 0.91986687 0.01439171
0.95079610 -0.00723231 0.65893864
0.99101216 0.86330648 0.75849340
0.96327257 0.98532597 0.18025446
0.94511219 0.07495828 0.22081414
0.88629339 0.08143939 0.29748218
0.92994102 0.89890270 0.22164252
0.86806948 0.90417241 0.29454848
0.84252274 0.99407218 0.32851182
0.71015725 0.05405261 0.39594698
0.70611541 0.11007196 0.48402124
0.64757437 0.18913231 0.48711761
0.64983853 0.07008745 0.31488260
0.58661531 0.14279239 0.32200735
0.58818099 0.20449990 0.40539238
0.87900905 0.18285592 0.33893139
0.75541881 0.08173504 0.56916795
0.84513878 0.47326428 0.09472386
0.85451364 0.57598987 0.13886417
0.92003599 0.60241894 0.05641111
0.89602089 0.50319984 0.00757406
0.76910636 0.40602241 0.06901176
0.81534428 0.50127199 0.92672304
0.91306493 0.57824299 0.23544166
0.01375352 0.59701608 0.10854812
0.67609266 0.39250799 0.90617707
0.59201303 0.34477769 0.94677150
0.54107334 0.27906701 0.86879104
0.66922770 0.41992198 0.80350995
0.60282173 0.38089671 0.73722801
0.53378415 0.31264507 0.76653892
0.38131609 0.26368343 0.68320982
0.34503560 0.21004166 0.60002268
0.25154615 0.21479608 0.57095456
0.32260883 0.30840058 0.74389277
0.23109636 0.31590762 0.71095871
0.19532138 0.27279065 0.62241034
0.51392839 0.18801047 0.89152103
0.40002999 0.13900719 0.54877540
0.75100343 0.83777274 0.72533359
0.66447476 0.84927417 0.78887459
0.60621060 0.85013163 0.68919745
0.68759229 0.82444707 0.63028716
0.80186992 0.74592792 0.73503046
0.69407529 0.72172298 0.59796285
0.65818334 0.95195057 0.83098900
0.59388824 0.95671771 0.67064970
0.80709881 0.59486167 0.63448753
0.89691622 0.57953497 0.66935907
0.92429057 0.48381999 0.69099616
0.75365116 0.51745839 0.58965726
0.78338601 0.42367476 0.60277025
0.85973725 0.40339235 0.66629515
0.86092863 0.26787276 0.78580270
0.94359480 0.24320505 0.83466172
0.94409556 0.20456559 0.93044129
0.77785312 0.23770694 0.82310271
0.77840940 0.19040157 0.91471189
0.86081125 0.17852928 0.97111172
0.00851297 0.49483291 0.75051422
0.02432078 0.24263191 0.77310849
0.55367744 0.44523984 0.96046768
0.47506835 0.43794794 0.12750389
0.54527281 0.52112000 0.13161331
0.58529332 0.53139174 0.02614820
0.49927789 0.48217457 0.88000880
0.54573801 0.61968732 0.96910545
0.50764116 0.35937873 0.18236613
0.61645324 0.48679447 0.20752553
0.47348566 0.63410299 0.79193148
0.46711378 0.58221251 0.70206256
0.42383817 0.61755913 0.61597385
0.44600868 0.72978918 0.79213968
0.40945178 0.76885854 0.70365488
0.39438526 0.71288457 0.61734444
0.27615365 0.72522762 0.48919984
0.26115850 0.74956129 0.38915708
0.17349119 0.73153854 0.34256511
0.20789748 0.67713831 0.54032861
0.12110505 0.65882235 0.49305691
0.10307445 0.68847773 0.39539870
0.40724777 0.54381700 0.53268587
0.33873006 0.79839526 0.33677913
0.21096799 0.39686362 0.18939448
0.29677749 0.34225786 0.22772797
0.28719841 0.27518217 0.13619478
0.19558510 0.32624786 0.10095905
0.24417968 0.49198278 0.14685185
0.20637813 0.38866581 0.01096762
0.28303601 0.27724246 0.31476891
0.28431783 0.17283620 0.17739698
0.25479194 0.56122110 0.97640854
0.24965928 0.65485110 0.01314704
0.23973025 0.73627826 0.95278297
0.26107931 0.54975029 0.87410963
0.25629278 0.63095816 0.81396887
0.24320032 0.72492922 0.84898673
0.25531642 0.88932397 0.78116682
0.21358766 0.95379268 0.71179239
0.21660879 0.05232336 0.73670312
0.31716261 0.92701783 0.85592614
0.32043914 0.02575023 0.87849649
0.26550260 0.08788401 0.82232840
0.22450158 0.82289720 0.01702275
0.18482433 0.92738293 0.60596228
0.12427937 0.07856580 0.91111190
0.89490077 0.08266161 0.77637998
0.89158521 0.90649173 0.86238165
0.06545729 0.89241586 0.90229627
0.97805821 0.14049066 0.19248849
0.94894751 0.82939801 0.19288768
0.83584094 0.83880494 0.32487396
0.64245197 0.22442347 0.55893250
0.65164591 0.02650968 0.24759318
0.53512717 0.15398299 0.26140314
0.53660141 0.25927645 0.40857850
0.00509632 0.86298036 0.60614970
0.73819425 0.51458179 0.27830845
0.79124498 0.61588850 0.14209225
0.90958985 0.66719442 0.01033790
0.95272332 0.46021553 0.98475100
0.60733714 0.30609566 0.01611032
0.72100199 0.47095932 0.77787067
0.59971429 0.40210004 0.65952521
0.22309157 0.17266649 0.50715543
0.34808539 0.34008904 0.81419497
0.18885363 0.35462943 0.75921645
0.12344761 0.27897270 0.59650051
0.05956075 0.58505407 0.26042077
0.79975278 0.90081391 0.73094721
0.65356206 0.79310653 0.84476983
0.54247344 0.80666170 0.67614445
0.69661747 0.86929368 0.56468165
0.94139737 0.64089007 0.69634951
0.68760021 0.53172149 0.55087261
0.74033288 0.36204731 0.57372523
1.00966848 0.19305802 0.97079325
0.71291821 0.24136406 0.77789089
0.71372213 0.16089028 0.94137522
0.85983537 0.14474406 0.04408212
0.62133982 0.09025715 0.74688331
0.43662605 0.36424277 1.00323911
0.40425130 0.44547496 0.09980666
0.52136980 0.59221695 0.15438760
0.66040886 0.54770383 0.03049855
0.49190977 0.50990209 0.69843023
0.45500503 0.77271978 0.86014629
0.39162630 0.84476233 0.69994758
0.16121633 0.75160407 0.26492931
0.21973520 0.66310799 0.61905472
0.06586182 0.62551531 0.53407005
0.03274663 0.68003864 0.36287685
0.64340091 0.35217186 0.26788739
0.15710344 0.40653701 0.24122103
0.35903268 0.38884976 0.24345224
0.33986427 0.27884822 0.08292486
0.13401977 0.27780046 0.09218638
0.24781876 0.66493256 0.09244722
0.26920761 0.47928657 0.84073518
0.26329873 0.62148207 0.73503799
0.18021286 0.10148276 0.68677925
0.35527600 0.87765249 0.90431211
0.36178373 0.05196184 0.94406035
0.26295243 0.16416932 0.84220100
0.28061315 0.12318029 0.32546707
0.09721362 0.12785178 0.10798538
0.91531282 0.85419281 0.01958998
0.95017999 0.03887517 0.58037089
0.03597189 0.79352433 0.78571359
0.77668973 0.98723018 0.39759975
0.72442915 0.34785741 0.11916423
0.77665207 0.57693045 0.89998337
0.88550020 0.56520144 0.31887483
0.08669970 0.58961350 0.07034848
0.47612642 0.28216653 0.69195097
0.85854020 0.72389186 0.80019213
0.64355301 0.67696118 0.53599374
0.68383726 0.98003070 0.91503619
0.57364989 0.98987657 0.58814176
0.86564981 0.30739204 0.68979066
0.45286972 0.43491329 0.81429009
0.54950973 0.70380065 0.99836214
0.48164930 0.27411272 0.19663587
0.68765415 0.54366307 0.23698632
0.35932322 0.75762655 0.53366165
0.27383394 0.56269140 0.19575460
0.18643006 0.36533753 0.92474677
0.27854517 0.30525879 0.40009404
0.29336743 0.09652647 0.13391315
0.23248217 0.79149931 0.77273041
0.00773921 0.98164979 0.09192507
0.97231008 0.89226498 0.66252240
0.75123486 0.41887871 0.96398058
0.00376840 0.59075822 0.21089813
0.77236669 0.68627917 0.65003902
0.62014929 0.00916788 0.75548548
0.50490305 0.58495325 0.87871923
0.59740679 0.39768335 0.23406773
0.24342845 0.48181813 0.04217019
0.27739628 0.18192340 0.27985446
0.80021521 0.22733325 0.30437143
0.95059368 0.24318069 0.31341777
0.88088301 0.18525407 0.43990989
0.78125430 0.99360410 0.58257576
0.62184600 0.18164406 0.71060141
0.77641472 0.13638849 0.64549101
0.39011249 0.32232733 0.96689568
0.47543648 0.12446757 0.82649818
0.52359149 0.14954796 0.98132528
0.38674718 0.14127229 0.44657260
0.37519071 0.04618915 0.57491162
0.49080152 0.15171928 0.57058834
0.85488099 0.44513933 0.84372348
0.07379323 0.55430259 0.71981270
0.02911522 0.46847697 0.84097751
1.00676240 0.18809411 0.68922318
0.09955118 0.20793382 0.82232146
0.04853924 0.33321815 0.73650724
0.33740958 0.47896301 0.55440566
0.48406269 0.48993434 0.52349260
0.38520929 0.57998906 0.44183488
0.35308852 0.89423176 0.36445054
0.32000536 0.79685592 0.23714705
0.42140797 0.75597053 0.35374728
0.30383794 0.85402767 0.06856816
0.16076624 0.79944024 0.08569043
0.19087749 0.90116854 0.96991276
0.26003924 0.91083686 0.55464512
0.13941361 -0.00082618 0.55658930
0.12966712 0.84399841 0.59265521
No title
1
14.527696 -0.309081 -0.467709
-0.309710 13.760101 -0.023210
-0.471646 -0.019677 13.488824
C H O N F
110 60 25 10 30
Direct configuration= 98
0.07459458 0.03850210 0.95341283
0.92806830 0.01693918 0.75734732
0.95070723 0.93916094 0.82501519
0.02177583 0.95184020 0.92264646
0.06560045 0.05854963 0.05530928
0.97425198 0.91974580 0.01440298
0.95068857 -0.00732931 0.65887564
0.99098503 0.86319300 0.75843014
0.96324478 0.98526147 0.18028531
0.94510015 0.07490233 0.22084985
0.88628598 0.08142025 0.29751768
0.92990019 0.89883496 0.22168778
0.86803630 0.90414758 0.29459576
0.84249915 0.99405577 0.32855557
0.71012631 0.05407432 0.39593920
0.70606764 0.11015378 0.48399306
0.64754206 0.18924771 0.48701437
0.64982390 0.07007060 0.31482899
0.58660679 0.14280507 0.32190195
0.58816441 0.20457553 0.40525641
0.87900979 0.18285106 0.33897391
0.75533641 0.08183383 0.56918635
0.84512114 0.47327878 0.09475749
0.85449186 0.57598309 0.13896113
0.92001142 0.60244694 0.05651426
0.89599076 0.50324456 0.00760667
0.76908932 0.40607082 0.06902003
0.81528358 0.50135208 0.92676280
0.91303830 0.57817383 0.23553807
0.01372387 0.59703085 0.10866367
0.67605933 0.39252315 0.90620413
0.59198542 0.34479536 0.94681885
0.54104100 0.27907455 0.86883757
0.66918442 0.41991300 0.80351922
0.60278873 0.38086078 0.73724798
0.53376971 0.31261164 0.76656148
0.38130592 0.26363534 0.68317923
0.34503845 0.20998264 0.60002079
0.25155022 0.21473650 0.57089956
0.32260062 0.30845039 0.74385976
0.23109976 0.31599022 0.71082610
0.19534338 0.27283729 0.62232287
0.51392193 0.18799242 0.89157279
0.40004346 0.13895152 0.54874104
0.75097724 0.83773256 0.72523165
0.66446183 0.84923161 0.78879003
0.60618510 0.85007146 0.68910762
0.68756742 0.82441381 0.63016788
0.80185871 0.74586920 0.73494003
0.69410277 0.72171190 0.59780133
0.65817970 0.95192556 0.83090884
0.59380935 0.95666620 0.67056390
0.80710612 0.59481526 0.63435994
0.89693727 0.57952024 0.66921210
0.92433905 0.48382225 0.69089368
0.75364736 0.51737374 0.58960610
0.78341064 0.42359619 0.60273220
0.85980799 0.40336364 0.66621825
0.86107098 0.26789272 0.78574540
0.94375400 0.24323701 0.83464810
0.94422750 0.20464235 0.93043802
0.77801396 0.23775798 0.82305075
0.77854037 0.19049081 0.91467285
0.86095762 0.17863185 0.97111166
0.00852254 0.49484011 0.75043597
0.02448498 0.24263505 0.77310531
0.55369572 0.44528452 0.96050210
0.47504085 0.43804635 0.12755574
0.54525831 0.52120819 0.13166360
0.58531820 0.53144331 0.02620262
0.49930349 0.48224733 0.88004618
0.54582674 0.61973791 0.96912184
0.50758646 0.35948243 0.18247506
0.61641617 0.48688942 0.20762209
0.47356542 0.63415395 0.79193418
0.46725867 0.58225500 0.70205831
0.42394787 0.61754849 0.61595288
0.44600888 0.72982742 0.79213292
0.40943812 0.76885799 0.70362513
0.39441580 0.71286028 0.61731713
0.27617360 0.72517867 0.48913374
0.26115153 0.74956725 0.38911734
0.17346136 0.73161465 0.34253071
0.20793484 0.67704119 0.54026800
0.12111615 0.65879963 0.49299655
0.10305340 0.68854984 0.39538660
0.40736870 0.54380011 0.53265236
0.33870128 0.79841800 0.33671555
0.21093022 0.39686571 0.18944971
0.29671746 0.34222448 0.22778063
0.28713734 0.27515062 0.13622121
0.19552051 0.32623742 0.10100493
0.24416278 0.49195884 0.14689704
0.20630882 0.38865528 0.01101263
0.28291040 0.27719053 0.31477265
0.28424964 0.17286317 0.17744633
0.25477312 0.56118968 0.97643906
0.24966653 0.65484390 0.01319875
0.23978376 0.73627096 0.95283142
0.26107715 0.54972161 0.87414068
0.25632545 0.63092312 0.81399312
0.24325275 0.72492151 0.84902916
0.25537719 0.88932838 0.78123350
0.21363828 0.95380089 0.71185375
0.21667399 0.05234305 0.73677155
0.31721246 0.92702255 0.85599432
0.32048569 0.02575771 0.87859714
0.26555553 0.08790729 0.82240721
0.22462067 0.82293694 0.01706903
0.18481320 0.92735392 0.60603924
0.12415107 0.07851380 0.91107116
0.89488723 0.08260686 0.77639037
0.89156465 0.90636909 0.86233508
0.06542340 0.89232107 0.90227802
0.97806437 0.14043246 0.19252324
0.94889521 0.82931995 0.19293961
0.83579420 0.83878083 0.32493290
0.64241545 0.22460030 0.55880783
0.65164458 0.02645410 0.24756877
0.53512769 0.15396332 0.26127558
0.53659213 0.25936544 0.40839457
0.00500105 0.86288085 0.60605388
0.73814560 0.51468148 0.27844051
0.79122905 0.61588917 0.14221128
0.90956815 0.66725708 0.01048051
0.95267795 0.46026615 0.98473805
0.60731308 0.30612784 0.01616750
0.72095819 0.47095081 0.77787281
0.59967720 0.40204266 0.65952083
0.22309809 0.17259045 0.50712320
0.34807249 0.34016130 0.81413085
0.18886842 0.35481604 0.75904665
0.12348616 0.27905424 0.59633716
0.05952636 0.58496570 0.26054741
0.79972742 0.90077755 0.73086275
0.65356572 0.79307018 0.84469728
0.54246518 0.80657292 0.67605851
0.69656965 0.86929037 0.56457823
0.94141632 0.64090700 0.69615929
0.68756937 0.53160663 0.55085106
0.74036977 0.36194042 0.57372186
1.00980423 0.19315874 0.97082505
0.71306545 0.24141351 0.77782861
0.71386092 0.16099809 0.94134360
0.85996064 0.14488530 0.04409805
0.62129447 0.09022251 0.74684669
0.43657658 0.36432955 1.00338966
0.40421134 0.44560878 0.09991266
0.52136068 0.59232285 0.15441795
0.66043541 0.54771734 0.03059220
0.49214015 0.50996797 0.69843382
0.45496139 0.77276832 0.86014454
0.39157354 0.84475792 0.69990353
0.16116386 0.75173220 0.26491660
0.21980534 0.66291481 0.61896459
0.06588841 0.62546361 0.53401839
0.03271263 0.68019075 0.36287550
0.64331634 0.35227538 0.26806059
0.15708080 0.40656931 0.24129424
0.35897979 0.38879334 0.24354763
0.33979421 0.27883166 0.08293690
0.13395096 0.27779351 0.09225244
0.24781657 0.66492043 0.09249981
0.26919292 0.47923716 0.84075947
0.26333762 0.62144846 0.73505761
0.18027898 0.10150868 0.68683880
0.35533579 0.87765423 0.90438357
0.36180856 0.05196677 0.94417720
0.26301353 0.16419610 0.84229412
0.28043909 0.12312631 0.32547651
0.09717690 0.12776561 0.10799027
0.91533852 0.85405037 0.01961087
0.95001748 0.03877358 0.58033239
0.03595032 0.79343407 0.78562713
0.77665651 0.98725338 0.39764653
0.72435261 0.34791345 0.11923370
0.77653734 0.57702667 0.90013058
0.88545748 0.56510276 0.31899243
0.08669284 0.58971690 0.07045908
0.47610705 0.28210896 0.69197273
0.85847392 0.72382552 0.80008480
0.64361476 0.67693799 0.53573140
0.68388538 0.98003186 0.91493705
0.57352088 0.98981961 0.58807589
0.86582200 0.30736671 0.68971479
0.45285715 0.43497409 0.81430132
0.54965949 0.70390831 0.99837132
0.48157427 0.27423607 0.19677924
0.68761684 0.54375879 0.23709755
0.35934218 0.75756800 0.53360816
0.27387922 0.56268236 0.19581878
0.18634761 0.36533062 0.92476277
0.27835712 0.30523502 0.40015213
0.29335951 0.09643083 0.13389198
0.23254438 0.79149228 0.77277097
0.00770499 0.98155206 0.09193660
0.97223492 0.89216187 0.66245165
0.75122057 0.41888711 0.96399971
0.00373623 0.59066764 0.21101548
0.77236168 0.68624373 0.64989886
0.62009468 0.00912628 0.75541189
0.50497052 0.58502132 0.87873696
0.59734512 0.39779779 0.23418174
0.24338092 0.48180426 0.04221101
0.27726394 0.18187573 0.27987159
0.80020266 0.22732541 0.30444749
0.95057534 0.24317886 0.31342068
0.88092768 0.18526303 0.43996544
0.78106891 0.99368789 0.58265702
0.62185589 0.18165549 0.71066279
0.77637182 0.13653148 0.64546003
0.39009925 0.32243240 0.96695588
0.47545937 0.12443635 0.82653996
0.52360662 0.14954182 0.98138104
0.38663115 0.14112773 0.44653766
0.37535576 0.04612360 0.57498683
0.49082353 0.15181051 0.57042063
0.85480610 0.44534702 0.84365273
0.07380930 0.55435268 0.71982745
0.02910349 0.46839313 0.84091139
1.00700724 0.18788762 0.68933413
0.09975372 0.20813045 0.82242196
0.04857170 0.33317437 0.73630215
0.33745824 0.47901028 0.55430267
0.48414558 0.48982929 0.52353371
0.38543646 0.57999009 0.44177772
0.35306162 0.89425646 0.36441835
0.31994434 0.79690032 0.23707744
0.42137978 0.75598783 0.35364323
0.30402432 0.85415961 0.06845084
0.16103060 0.79951111 0.08588919
0.19086274 0.90114636 0.96994397
0.25998795 0.91087142 0.55462520
0.13929462 -0.00089662 0.55670043
0.12971841 0.84391863 0.59281170
No title
1
14.527884 -0.308828 -0.467777
-0.309503 13.759445 -0.023656
-0.471751 -0.020124 13.488024
C H O N F
110 60 25 10 30
Direct configuration= 99
0.07454314 0.03843664 0.95336446
0.92803515 0.01687049 0.75736575
0.95070821 0.93912349 0.82496514
0.02174714 0.95180541 0.92265335
0.06557298 0.05851587 0.05534496
0.97425355 0.91968568 0.01440690
0.95062884 -0.00740183 0.65885643
0.99095851 0.86313435 0.75840256
0.96323170 0.98522028 0.18029620
0.94509403 0.07487249 0.22087070
0.88627923 0.08141067 0.29754142
0.92987743 0.89880310 0.22171358
0.86801255 0.90412677 0.29462735
0.84248668 0.99404715 0.32857935
0.71010417 0.05409201 0.39593863
0.70603367 0.11020339 0.48396652
0.64752771 0.18930983 0.48695610
0.64981749 0.07006677 0.31480954
0.58659909 0.14281086 0.32183453
0.58816086 0.20461433 0.40517961
0.87901183 0.18284606 0.33899634
0.75528011 0.08189830 0.56918278
0.84510811 0.47328170 0.09477402
0.85447688 0.57598105 0.13901682
0.91999898 0.60246715 0.05657110
0.89596918 0.50327367 0.00762573
0.76905770 0.40607074 0.06905256
0.81524937 0.50140265 0.92678437
0.91302067 0.57813220 0.23560678
0.01371813 0.59703827 0.10872439
0.67603975 0.39253061 0.90622485
0.59197058 0.34480495 0.94684374
0.54102008 0.27907170 0.86886605
0.66916354 0.41991125 0.80352175
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No title
1
14.528210 -0.308344 -0.467920
-0.309097 13.758354 -0.024367
-0.471958 -0.020840 13.486521
C H O N F
110 60 25 10 30
Direct configuration= 100
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No title
1
14.528485 -0.308039 -0.467941
-0.308845 13.757658 -0.024901
-0.472032 -0.021375 13.485503
C H O N F
110 60 25 10 30
Direct configuration= 101
0.07440632 0.03831583 0.95334073
0.92793448 0.01670566 0.75731941
0.95063625 0.93891532 0.82493291
0.02167728 0.95160283 0.92262384
0.06548243 0.05836899 0.05532676
0.97421821 0.91947769 0.01441892
0.95044345 -0.00758560 0.65876409
0.99090331 0.86294782 0.75828523
0.96318414 0.98509771 0.18033942
0.94507774 0.07477687 0.22092646
0.88626463 0.08136956 0.29760406
0.92981075 0.89869347 0.22178490
0.86795235 0.90407681 0.29471175
0.84244238 0.99402556 0.32866009
0.71004233 0.05413374 0.39591744
0.70594458 0.11034769 0.48391534
0.64747132 0.18951342 0.48677355
0.64979211 0.07004094 0.31472407
0.58658930 0.14283027 0.32165109
0.58813252 0.20474224 0.40493802
0.87901415 0.18283869 0.33907277
0.75512979 0.08207976 0.56920110
0.84507138 0.47329612 0.09483456
0.85444118 0.57596611 0.13918293
0.91995752 0.60251847 0.05675375
0.89590730 0.50335209 0.00767615
0.76901636 0.40613822 0.06909481
0.81514852 0.50155289 0.92685552
0.91296658 0.57800747 0.23579450
0.01367564 0.59706233 0.10892188
0.67598092 0.39255822 0.90627010
0.59192385 0.34483824 0.94692354
0.54096210 0.27908062 0.86894741
0.66909266 0.41989573 0.80354677
0.60271609 0.38078451 0.73727781
0.53372336 0.31252274 0.76662031
0.38127527 0.26354977 0.68315027
0.34503252 0.20982719 0.59999287
0.25156344 0.21461484 0.57080011
0.32257768 0.30854376 0.74373810
0.23112601 0.31620378 0.71055806
0.19539078 0.27291936 0.62208071
0.51391218 0.18796890 0.89169095
0.40007513 0.13882217 0.54867043
0.75092175 0.83763822 0.72499619
0.66443167 0.84913283 0.78858820
0.60612469 0.84993123 0.68889508
0.68751376 0.82433671 0.62989380
0.80177336 0.74576206 0.73466642
0.69414602 0.72165543 0.59739164
0.65816584 0.95185921 0.83070039
0.59363127 0.95653801 0.67038361
0.80712207 0.59470996 0.63406038
0.89698651 0.57949876 0.66886776
0.92444462 0.48381871 0.69065150
0.75363474 0.51717479 0.58948318
0.78347016 0.42341186 0.60264487
0.85997264 0.40329318 0.66603962
0.86143358 0.26793966 0.78561910
0.94410502 0.24332005 0.83459768
0.94455142 0.20481897 0.93044009
0.77836575 0.23787573 0.82292170
0.77886763 0.19069331 0.91460207
0.86126953 0.17887175 0.97110115
0.00856446 0.49484832 0.75028852
0.02486790 0.24263754 0.77310658
0.55373534 0.44540068 0.96057623
0.47497350 0.43827112 0.12767742
0.54522710 0.52141225 0.13178107
0.58537459 0.53155829 0.02632851
0.49934538 0.48238101 0.88010411
0.54603643 0.61991505 0.96917950
0.50745749 0.35973220 0.18272638
0.61633051 0.48712237 0.20784254
0.47374839 0.63428548 0.79193674
0.46759627 0.58234779 0.70204350
0.42420522 0.61752978 0.61590470
0.44601085 0.72991019 0.79211426
0.40940671 0.76886056 0.70355908
0.39448798 0.71279591 0.61724800
0.27621818 0.72505729 0.48900060
0.26112953 0.74958663 0.38900579
0.17339452 0.73179112 0.34246786
0.20801826 0.67681878 0.54010381
0.12114787 0.65874214 0.49287846
0.10300505 0.68872673 0.39534090
0.40765519 0.54375801 0.53257678
0.33863147 0.79847331 0.33657172
0.21083915 0.39686881 0.18957957
0.29657664 0.34215021 0.22789922
0.28699649 0.27508818 0.13628119
0.19536888 0.32621193 0.10111055
0.24413598 0.49193658 0.14701902
0.20614502 0.38862811 0.01109810
0.28260980 0.27710646 0.31488250
0.28410703 0.17273902 0.17745665
0.25473015 0.56113346 0.97652306
0.24968648 0.65481397 0.01331320
0.23990826 0.73626494 0.95295310
0.26107369 0.54964239 0.87420732
0.25640000 0.63085978 0.81405637
0.24337691 0.72489173 0.84912295
0.25550899 0.88933557 0.78137677
0.21376008 0.95382096 0.71200457
0.21682173 0.05239013 0.73692427
0.31733864 0.92703444 0.85616476
0.32058667 0.02577934 0.87881958
0.26568621 0.08795559 0.82259937
0.22490272 0.82303092 0.01717924
0.18478282 0.92728663 0.60621870
0.12387317 0.07841576 0.91096104
0.89486228 0.08245674 0.77640943
0.89148861 0.90606660 0.86225063
0.06536648 0.89208544 0.90223146
0.97807760 0.14029363 0.19260418
0.94877295 0.82913351 0.19305674
0.83568703 0.83872834 0.32506803
0.64232824 0.22501159 0.55851307
0.65164164 0.02631771 0.24750249
0.53513040 0.15391677 0.26097706
0.53656622 0.25957467 0.40796374
0.00478249 0.86264515 0.60582715
0.73803629 0.51491201 0.27875167
0.79118814 0.61588992 0.14248933
0.90951741 0.66740096 0.01081561
0.95257756 0.46038126 0.98470404
0.60725895 0.30620270 0.01630477
0.72085427 0.47092870 0.77787666
0.59959185 0.40190560 0.65951629
0.22311014 0.17240414 0.50704339
0.34804832 0.34034002 0.81399682
0.18890649 0.35524837 0.75864397
0.12358004 0.27924236 0.59596183
0.05944422 0.58475903 0.26084298
0.79966714 0.90068761 0.73066365
0.65357395 0.79298359 0.84452687
0.54244676 0.80636520 0.67585544
0.69646105 0.86928350 0.56433206
0.94145703 0.64093960 0.69571244
0.68749930 0.53133846 0.55080257
0.74045680 0.36169125 0.57371524
1.01011586 0.19339418 0.97089729
0.71341383 0.24152951 0.77768949
0.71418061 0.16124805 0.94127118
0.86025361 0.14521293 0.04413883
0.62118858 0.09013995 0.74676062
0.43646285 0.36453479 1.00374409
0.40411995 0.44592167 0.10016187
0.52133838 0.59257112 0.15448757
0.66049940 0.54775059 0.03080930
0.49267592 0.51012432 0.69844349
0.45486062 0.77288316 0.86014113
0.39145119 0.84474636 0.69980001
0.16104098 0.75203582 0.26488324
0.21996983 0.66246207 0.61876256
0.06595279 0.62534477 0.53389555
0.03263479 0.68054650 0.36287492
0.64311307 0.35252567 0.26845980
0.15702596 0.40664334 0.24146244
0.35885484 0.38866277 0.24377021
0.33963072 0.27879172 0.08296503
0.13379025 0.27777724 0.09240341
0.24781232 0.66489383 0.09262962
0.26915829 0.47912912 0.84081977
0.26342765 0.62137181 0.73510238
0.18043412 0.10156694 0.68698073
0.35547428 0.87766093 0.90454663
0.36187051 0.05197999 0.94445388
0.26315549 0.16425956 0.84251141
0.28003203 0.12299777 0.32549687
0.09709518 0.12757479 0.10799378
0.91537679 0.85369817 0.01965865
0.94964040 0.03855874 0.58019465
0.03591384 0.79319282 0.78542719
0.77659072 0.98729847 0.39775284
0.72421288 0.34809643 0.11934738
0.77627093 0.57723824 0.90048172
0.88536334 0.56487466 0.31924332
0.08665764 0.58995967 0.07072888
0.47607129 0.28197441 0.69202228
0.85837157 0.72364855 0.79989727
0.64378184 0.67690734 0.53514845
0.68400374 0.98004080 0.91472115
0.57321686 0.98969405 0.58790237
0.86621933 0.30730998 0.68953537
0.45284960 0.43513998 0.81435608
0.55000284 0.70410756 0.99837399
0.48140039 0.27452411 0.19711739
0.68752478 0.54398539 0.23735055
0.35938727 0.75743361 0.53348147
0.27397149 0.56263450 0.19595618
0.18616127 0.36532238 0.92481645
0.27792615 0.30515182 0.40020303
0.29332151 0.09636985 0.13393261
0.23269056 0.79148234 0.77286957
0.00763467 0.98134354 0.09196216
0.97206289 0.89191568 0.66228152
0.75118086 0.41890764 0.96403326
0.00366174 0.59045352 0.21128569
0.77235373 0.68615474 0.64956926
0.61996757 0.00902721 0.75524017
0.50513042 0.58517829 0.87878391
0.59720794 0.39804614 0.23445785
0.24326947 0.48176788 0.04230957
0.27695427 0.18177415 0.27990489
0.80017322 0.22730777 0.30462219
0.95053311 0.24317237 0.31342775
0.88103073 0.18528346 0.44009421
0.78064808 0.99385018 0.58285590
0.62187988 0.18168116 0.71080636
0.77628499 0.13689294 0.64541072
0.39006459 0.32267584 0.96709704
0.47551096 0.12436031 0.82663728
0.52364218 0.14952825 0.98151764
0.38635925 0.14078767 0.44645716
0.37574086 0.04597157 0.57516875
0.49087636 0.15202112 0.57002744
0.85462850 0.44584032 0.84349056
0.07384064 0.55447134 0.71986819
0.02907041 0.46820191 0.84072893
1.00757333 0.18740330 0.68958574
0.10022205 0.20858284 0.82265364
0.04864886 0.33306902 0.73582740
0.33757463 0.47912135 0.55406056
0.48433869 0.48958518 0.52362997
0.38596751 0.57999307 0.44164214
0.35299985 0.89431499 0.36434380
0.31980191 0.79700502 0.23691561
0.42131770 0.75602813 0.35340334
0.30445473 0.85446589 0.06817961
0.16164443 0.79967670 0.08634949
0.19082879 0.90109459 0.97001918
0.25987064 0.91095404 0.55457790
0.13901756 -0.00106176 0.55696217
0.12983986 0.84373474 0.59317639
No title
1
14.528731 -0.307569 -0.468082
-0.308453 13.756545 -0.025633
-0.472231 -0.022112 13.484098
C H O N F
110 60 25 10 30
Direct configuration= 102
0.07432931 0.03822876 0.95329165
0.92788237 0.01659632 0.75729291
0.95061256 0.93882511 0.82488160
0.02162130 0.95150937 0.92261132
0.06543389 0.05830299 0.05535929
0.97421697 0.91937364 0.01442618
0.95033166 -0.00768321 0.65874859
0.99085815 0.86285279 0.75822200
0.96315711 0.98502279 0.18036676
0.94506754 0.07473042 0.22096089
0.88625375 0.08134922 0.29764339
0.92977213 0.89863874 0.22182580
0.86791406 0.90403943 0.29476284
0.84242269 0.99401429 0.32870011
0.71000841 0.05415788 0.39591284
0.70588913 0.11043167 0.48387561
0.64744391 0.18962005 0.48666973
0.64977911 0.07003135 0.31468441
0.58657942 0.14283767 0.32153648
0.58812073 0.20481360 0.40480535
0.87901685 0.18283002 0.33910983
0.75504701 0.08218222 0.56921703
0.84505747 0.47331127 0.09486424
0.85441556 0.57596049 0.13927951
0.91993471 0.60254867 0.05685221
0.89587559 0.50340056 0.00770961
0.76895274 0.40613004 0.06914427
0.81508606 0.50164013 0.92689034
0.91293536 0.57793457 0.23591076
0.01364779 0.59707479 0.10903380
0.67594715 0.39257126 0.90630329
0.59189710 0.34485613 0.94696815
0.54092579 0.27907171 0.86899799
0.66905854 0.41989358 0.80355219
0.60268406 0.38075080 0.73729011
0.53370118 0.31248548 0.76664328
0.38125879 0.26352846 0.68316112
0.34502170 0.20975126 0.59996728
0.25157240 0.21457346 0.57077431
0.32256241 0.30857066 0.74365996
0.23114874 0.31630495 0.71046655
0.19540931 0.27294070 0.62195800
0.51391242 0.18797432 0.89173784
0.40008847 0.13876771 0.54864324
0.75089952 0.83759883 0.72489520
0.66441908 0.84909019 0.78850188
0.60609763 0.84987035 0.68880364
0.68749242 0.82430593 0.62977841
0.80174584 0.74571368 0.73456013
0.69414115 0.72160392 0.59718576
0.65816080 0.95183028 0.83061255
0.59355589 0.95648583 0.67030392
0.80713174 0.59465742 0.63393236
0.89700159 0.57948917 0.66871931
0.92450937 0.48382101 0.69056038
0.75363072 0.51709570 0.58943214
0.78349769 0.42332998 0.60260939
0.86003649 0.40325760 0.66595936
0.86159732 0.26795876 0.78556971
0.94424524 0.24335928 0.83456867
0.94469908 0.20489151 0.93044637
0.77850572 0.23792707 0.82286162
0.77901655 0.19077668 0.91458099
0.86139022 0.17897466 0.97109179
0.00855789 0.49485329 0.75019814
0.02502899 0.24263294 0.77310650
0.55375378 0.44544925 0.96060971
0.47494923 0.43836387 0.12773157
0.54521270 0.52150122 0.13183018
0.58540011 0.53160890 0.02638298
0.49934889 0.48242304 0.88010684
0.54612766 0.62000438 0.96921179
0.50740189 0.35984581 0.18283030
0.61629737 0.48723269 0.20793310
0.47382501 0.63434654 0.79193924
0.46773933 0.58238517 0.70203501
0.42431541 0.61752458 0.61588616
0.44601318 0.72994034 0.79210546
0.40939388 0.76886344 0.70353266
0.39451812 0.71276525 0.61721413
0.27623555 0.72500102 0.48895480
0.26111705 0.74959738 0.38894946
0.17336714 0.73186549 0.34244798
0.20805190 0.67672702 0.54002290
0.12116567 0.65871540 0.49283973
0.10298398 0.68880634 0.39531192
0.40777628 0.54374051 0.53254386
0.33860337 0.79849719 0.33651279
0.21079950 0.39686935 0.18963498
0.29651595 0.34211945 0.22795121
0.28693789 0.27506281 0.13630615
0.19530434 0.32620206 0.10115594
0.24412818 0.49193737 0.14707820
0.20607437 0.38861515 0.01112671
0.28248331 0.27706361 0.31489967
0.28404809 0.17266260 0.17744889
0.25471206 0.56111749 0.97656610
0.24969595 0.65479553 0.01335877
0.23996263 0.73626249 0.95300871
0.26107316 0.54960262 0.87423268
0.25643081 0.63084070 0.81408632
0.24343008 0.72487688 0.84915807
0.25556054 0.88934109 0.78143120
0.21381445 0.95382582 0.71207383
0.21688073 0.05241187 0.73698351
0.31739581 0.92704042 0.85624147
0.32062737 0.02579018 0.87891078
0.26574627 0.08797379 0.82268684
0.22501805 0.82307633 0.01722466
0.18476926 0.92725960 0.60629416
0.12375464 0.07837591 0.91091258
0.89485587 0.08238316 0.77641419
0.89144786 0.90593080 0.86221939
0.06535019 0.89197874 0.90221012
0.97808288 0.14023286 0.19263866
0.94872126 0.82905179 0.19310459
0.83564397 0.83871001 0.32512300
0.64229031 0.22518771 0.55838830
0.65164042 0.02625728 0.24747086
0.53513464 0.15389625 0.26085283
0.53655400 0.25966337 0.40777932
0.00469202 0.86254494 0.60572974
0.73799081 0.51500961 0.27888436
0.79117303 0.61588711 0.14260687
0.90949598 0.66746033 0.01096018
0.95253504 0.46042996 0.98468841
0.60723656 0.30623607 0.01636244
0.72080760 0.47091635 0.77787953
0.59955640 0.40184689 0.65951443
0.22311354 0.17232021 0.50700646
0.34804184 0.34042185 0.81394943
0.18892498 0.35543007 0.75846905
0.12362208 0.27932137 0.59580498
0.05940782 0.58467087 0.26096766
0.79964267 0.90064877 0.73057836
0.65357735 0.79294664 0.84445302
0.54244049 0.80627747 0.67576815
0.69641615 0.86928053 0.56422614
0.94147551 0.64095372 0.69552296
0.68746937 0.53122427 0.55078201
0.74049482 0.36158592 0.57371322
1.01024434 0.19349539 0.97092587
0.71356529 0.24157878 0.77763390
0.71431381 0.16135321 0.94124133
0.86037847 0.14535153 0.04415793
0.62114355 0.09010401 0.74672365
0.43641381 0.36462212 1.00389503
0.40407831 0.44605538 0.10026756
0.52132945 0.59267456 0.15451599
0.66052542 0.54776480 0.03090065
0.49290289 0.51019198 0.69844816
0.45481825 0.77293254 0.86013955
0.39139937 0.84474089 0.69975537
0.16098857 0.75216677 0.26486838
0.22004037 0.66226853 0.61867982
0.06598092 0.62529497 0.53384235
0.03260301 0.68069790 0.36287613
0.64302279 0.35263737 0.26862645
0.15700190 0.40667436 0.24153264
0.35880079 0.38860731 0.24386453
0.33956090 0.27877485 0.08297761
0.13372202 0.27777076 0.09246624
0.24781106 0.66488304 0.09268756
0.26914346 0.47908698 0.84084738
0.26346576 0.62134025 0.73512126
0.18050098 0.10159015 0.68704314
0.35553302 0.87766483 0.90461464
0.36189731 0.05198545 0.94457111
0.26321560 0.16428702 0.84260368
0.27985860 0.12294325 0.32550346
0.09705677 0.12748982 0.10798824
0.91538431 0.85353998 0.01968034
0.94948200 0.03846643 0.58013352
0.03590364 0.79308114 0.78534484
0.77655790 0.98731966 0.39780062
0.72417311 0.34819884 0.11937605
0.77615891 0.57732614 0.90063263
0.88532459 0.56477848 0.31934303
0.08664949 0.59006209 0.07084020
0.47606126 0.28191646 0.69204392
0.85832047 0.72357532 0.79980919
0.64387679 0.67691598 0.53493161
0.68405413 0.98004402 0.91462801
0.57308926 0.98963894 0.58783080
0.86638631 0.30728871 0.68945879
0.45285959 0.43522346 0.81439615
0.55014706 0.70418003 0.99837039
0.48132665 0.27464269 0.19726207
0.68748066 0.54407990 0.23745593
0.35940763 0.75737677 0.53342781
0.27400578 0.56260485 0.19600948
0.18608495 0.36532279 0.92484610
0.27774178 0.30512391 0.40024927
0.29330207 0.09636652 0.13396157
0.23275319 0.79147741 0.77291502
0.00760352 0.98125105 0.09196192
0.97199052 0.89181166 0.66221359
0.75116926 0.41891970 0.96404872
0.00363025 0.59036149 0.21140394
0.77234711 0.68612163 0.64942824
0.61991230 0.00898558 0.75516421
0.50519706 0.58524590 0.87880036
0.59715504 0.39813700 0.23458215
0.24322212 0.48175212 0.04235047
0.27682224 0.18173247 0.27992196
0.80016118 0.22730010 0.30469599
0.95051590 0.24316893 0.31343106
0.88107312 0.18529214 0.44014980
0.78046702 0.99393020 0.58293965
0.62189068 0.18169124 0.71086729
0.77624695 0.13704141 0.64537746
0.39005066 0.32277975 0.96715876
0.47553188 0.12432568 0.82667877
0.52365755 0.14952200 0.98157925
0.38624323 0.14064077 0.44642605
0.37590440 0.04590918 0.57524868
0.49089858 0.15210901 0.56985956
0.85455357 0.44605195 0.84342135
0.07385740 0.55452531 0.71988650
0.02906271 0.46811378 0.84067181
1.00781361 0.18719875 0.68969388
0.10041925 0.20877303 0.82274956
0.04868226 0.33302415 0.73562820
0.33762496 0.47916771 0.55395837
0.48442043 0.48948338 0.52367035
0.38619369 0.57999541 0.44158574
0.35297342 0.89434004 0.36431173
0.31974168 0.79705016 0.23684838
0.42129078 0.75604597 0.35330085
0.30463402 0.85459422 0.06806657
0.16190516 0.79974705 0.08654399
0.19081706 0.90107024 0.97005394
0.25982119 0.91098982 0.55455780
0.13889966 -0.00113166 0.55707427
0.12989190 0.84365776 0.59333125
No title
1
14.528958 -0.307290 -0.468114
-0.308212 13.756132 -0.025929
-0.472299 -0.022412 13.483364
C H O N F
110 60 25 10 30
Direct configuration= 103
0.07428531 0.03819601 0.95329977
0.92784955 0.01656191 0.75728479
0.95059414 0.93876485 0.82487465
0.02159999 0.95145629 0.92259545
0.06540133 0.05823238 0.05531166
0.97419492 0.91929908 0.01442788
0.95027771 -0.00772503 0.65870568
0.99084276 0.86279381 0.75818958
0.96314372 0.98498394 0.18037767
0.94506377 0.07470590 0.22097583
0.88624819 0.08133664 0.29766246
0.92975334 0.89860791 0.22184536
0.86789629 0.90402354 0.29478730
0.84240905 0.99400971 0.32872451
0.70998807 0.05417199 0.39590661
0.70586757 0.11046996 0.48386648
0.64742856 0.18967628 0.48661947
0.64977207 0.07002510 0.31466234
0.58657932 0.14284247 0.32148695
0.58811257 0.20484799 0.40473374
0.87901775 0.18282821 0.33913259
0.75499947 0.08223743 0.56920897
0.84504209 0.47331925 0.09487331
0.85440703 0.57595897 0.13932725
0.91992426 0.60256433 0.05690509
0.89586685 0.50342344 0.00772866
0.76895325 0.40616273 0.06913893
0.81505213 0.50167826 0.92690879
0.91292258 0.57789864 0.23596178
0.01363422 0.59708111 0.10909065
0.67592902 0.39258167 0.90631111
0.59188400 0.34486367 0.94699196
0.54091172 0.27908199 0.86901803
0.66903936 0.41988759 0.80356618
0.60266675 0.38073424 0.73728938
0.53369268 0.31246499 0.76665822
0.38125337 0.26350600 0.68314887
0.34502366 0.20972059 0.59996637
0.25157457 0.21454377 0.57074958
0.32256075 0.30859507 0.74364276
0.23115032 0.31634811 0.71040354
0.19541985 0.27296160 0.62191257
0.51390778 0.18795965 0.89176636
0.40009468 0.13873963 0.54862843
0.75088718 0.83757965 0.72484340
0.66441244 0.84906865 0.78845776
0.60608610 0.84984112 0.68875731
0.68748035 0.82428770 0.62971783
0.80173851 0.74568324 0.73451219
0.69416917 0.72161357 0.59712450
0.65816183 0.95182106 0.83058049
0.59351755 0.95645719 0.67026407
0.80713570 0.59463859 0.63387105
0.89701608 0.57948631 0.66864734
0.92451452 0.48381369 0.69049682
0.75362544 0.51705087 0.58940377
0.78351153 0.42329073 0.60259051
0.86007456 0.40324511 0.66592364
0.86167526 0.26796895 0.78554333
0.94431914 0.24337644 0.83455903
0.94476706 0.20492960 0.93044549
0.77857966 0.23795154 0.82283649
0.77908638 0.19082051 0.91456480
0.86145734 0.17902591 0.97109032
0.00858654 0.49485527 0.75019461
0.02511037 0.24263372 0.77310564
0.55376322 0.44547319 0.96062583
0.47493340 0.43841201 0.12775483
0.54520782 0.52154459 0.13185501
0.58541157 0.53163520 0.02641026
0.49936772 0.48246674 0.88013342
0.54617033 0.62001651 0.96921407
0.50737841 0.35990441 0.18288470
0.61627237 0.48726795 0.20798168
0.47386438 0.63437299 0.79193973
0.46781058 0.58240597 0.70203181
0.42437073 0.61751963 0.61587555
0.44601303 0.72995959 0.79209999
0.40938768 0.76886322 0.70351888
0.39453373 0.71275245 0.61719985
0.27624516 0.72497594 0.48892403
0.26111321 0.74960169 0.38892797
0.17335247 0.73190402 0.34243399
0.20807031 0.67667929 0.53999057
0.12117145 0.65870394 0.49281158
0.10297433 0.68884390 0.39530487
0.40783763 0.54373217 0.53252826
0.33858785 0.79850909 0.33648253
0.21077979 0.39687044 0.18966263
0.29648524 0.34210233 0.22797598
0.28690712 0.27504687 0.13631896
0.19527231 0.32619640 0.10117797
0.24411931 0.49192641 0.14710041
0.20603975 0.38861092 0.01114537
0.28241944 0.27704094 0.31491344
0.28401174 0.17269460 0.17748208
0.25470345 0.56110423 0.97658298
0.24970069 0.65479042 0.01338526
0.23998954 0.73626279 0.95303446
0.26107236 0.54958873 0.87424833
0.25644694 0.63082624 0.81410054
0.24345665 0.72487107 0.84918015
0.25558850 0.88934132 0.78146233
0.21383990 0.95383167 0.71210488
0.21691355 0.05242073 0.73701835
0.31742348 0.92704234 0.85627839
0.32064828 0.02579561 0.87895705
0.26577404 0.08798311 0.82272721
0.22507826 0.82309345 0.01724825
0.18476183 0.92724504 0.60633256
0.12369559 0.07835530 0.91088671
0.89485683 0.08233875 0.77641388
0.89143412 0.90586589 0.86219709
0.06533714 0.89192882 0.90220252
0.97808499 0.14020268 0.19265625
0.94869476 0.82901252 0.19312882
0.83562128 0.83869855 0.32515148
0.64227157 0.22527477 0.55832361
0.65164010 0.02622781 0.24745704
0.53513414 0.15388634 0.26078688
0.53654860 0.25970712 0.40768695
0.00464709 0.86249581 0.60568087
0.73796626 0.51505990 0.27894953
0.79116215 0.61588701 0.14266642
0.90948491 0.66749128 0.01103181
0.95251406 0.46045430 0.98467845
0.60722477 0.30625245 0.01639132
0.72078728 0.47091309 0.77787899
0.59953851 0.40181633 0.65951607
0.22311695 0.17228044 0.50699219
0.34803577 0.34045937 0.81391728
0.18893311 0.35552291 0.75838387
0.12364218 0.27936031 0.59572566
0.05939066 0.58462648 0.26103130
0.79963108 0.90062963 0.73053548
0.65357920 0.79292805 0.84441588
0.54243620 0.80623273 0.67572394
0.69639405 0.86927869 0.56417352
0.94148323 0.64096030 0.69542703
0.68745551 0.53116637 0.55077266
0.74051303 0.36153213 0.57371179
1.01031108 0.19354551 0.97094126
0.71363938 0.24160367 0.77760502
0.71438116 0.16140588 0.94122641
0.86044075 0.14542124 0.04416660
0.62112094 0.09008639 0.74670507
0.43638976 0.36466659 1.00397168
0.40405948 0.44612242 0.10032171
0.52132413 0.59272802 0.15453057
0.66053950 0.54777220 0.03094639
0.49301684 0.51022517 0.69845011
0.45479697 0.77295717 0.86013835
0.39137338 0.84473845 0.69973290
0.16096239 0.75223247 0.26486198
0.22007537 0.66217192 0.61863541
0.06599463 0.62526956 0.53381662
0.03258627 0.68077386 0.36287619
0.64298341 0.35268711 0.26871477
0.15698920 0.40668984 0.24156802
0.35877377 0.38857981 0.24391200
0.33952656 0.27876711 0.08298353
0.13368797 0.27776847 0.09249754
0.24781049 0.66487761 0.09271549
0.26913614 0.47906383 0.84086025
0.26348460 0.62132492 0.73513154
0.18053320 0.10160319 0.68707286
0.35556267 0.87766671 0.90464871
0.36191136 0.05198839 0.94463007
0.26324586 0.16430112 0.84265019
0.27977145 0.12291682 0.32550807
0.09705023 0.12747694 0.10801211
0.91540585 0.85347993 0.01968962
0.94940127 0.03841034 0.58012532
0.03589265 0.79303378 0.78530221
0.77654614 0.98732771 0.39782239
0.72412726 0.34821394 0.11941889
0.77610308 0.57737275 0.90070786
0.88530201 0.56472879 0.31940095
0.08664411 0.59011353 0.07089725
0.47605329 0.28188779 0.69205515
0.85828750 0.72354112 0.79975694
0.64389399 0.67689170 0.53478466
0.68407582 0.98004173 0.91456951
0.57302497 0.98961212 0.58779262
0.86646948 0.30727530 0.68942096
0.45284832 0.43524870 0.81439394
0.55022093 0.70424464 0.99837907
0.48128766 0.27469757 0.19733460
0.68746622 0.54413170 0.23751201
0.35941726 0.75734787 0.53340052
0.27402693 0.56259978 0.19604323
0.18604665 0.36532184 0.92485714
0.27764963 0.30510888 0.40026685
0.29329874 0.09630376 0.13394163
0.23278453 0.79147698 0.77293667
0.00758699 0.98120996 0.09197379
0.97195271 0.89176167 0.66218606
0.75115983 0.41892394 0.96405856
0.00361340 0.59031524 0.21146038
0.77234672 0.68609946 0.64935764
0.61988544 0.00896399 0.75512770
0.50523126 0.58527863 0.87881053
0.59712437 0.39820523 0.23463359
0.24319896 0.48174520 0.04237249
0.27675606 0.18170814 0.27992858
0.80015532 0.22729577 0.30473227
0.95050722 0.24316658 0.31343247
0.88109395 0.18529587 0.44017579
0.78037686 0.99396497 0.58298332
0.62189651 0.18169611 0.71089791
0.77623016 0.13712165 0.64536819
0.39004338 0.32283132 0.96718896
0.47554368 0.12431140 0.82670166
0.52366524 0.14952118 0.98160771
0.38618530 0.14056623 0.44641035
0.37598604 0.04587654 0.57529012
0.49090979 0.15215291 0.56977581
0.85451521 0.44615935 0.84338840
0.07385916 0.55454809 0.71989726
0.02905101 0.46807712 0.84061263
1.00793418 0.18709589 0.68974763
0.10051904 0.20886664 0.82279865
0.04869877 0.33300012 0.73552914
0.33765121 0.47919170 0.55390689
0.48446290 0.48943180 0.52369037
0.38630726 0.57999699 0.44155663
0.35296046 0.89435360 0.36429621
0.31971153 0.79707311 0.23681323
0.42127772 0.75605490 0.35324973
0.30472601 0.85466027 0.06801191
0.16203480 0.79978340 0.08664139
0.19080987 0.90106137 0.97007013
0.25979623 0.91100811 0.55454792
0.13884090 -0.00116672 0.55713088
0.12991798 0.84361869 0.59340847
No title
1
14.529412 -0.306626 -0.468208
-0.307654 13.754749 -0.026913
-0.472486 -0.023401 13.481417
C H O N F
110 60 25 10 30
Direct configuration= 104
0.07418348 0.03810524 0.95326875
0.92777844 0.01644041 0.75725199
0.95053390 0.93860621 0.82485943
0.02153899 0.95129671 0.92255216
0.06535403 0.05816189 0.05533285
0.97417418 0.91914951 0.01442585
0.95013806 -0.00786301 0.65864890
0.99080018 0.86265169 0.75810272
0.96311108 0.98490215 0.18040736
0.94504924 0.07462849 0.22101811
0.88623839 0.08130673 0.29770679
0.92970183 0.89851752 0.22189822
0.86785286 0.90399247 0.29484832
0.84237294 0.99398903 0.32878747
0.70994212 0.05420100 0.39589145
0.70580169 0.11057598 0.48382722
0.64738445 0.18982641 0.48648373
0.64975499 0.07000124 0.31459451
0.58657448 0.14285816 0.32135431
0.58809287 0.20494068 0.40455256
0.87901916 0.18282286 0.33919114
0.75488976 0.08237614 0.56921965
0.84500052 0.47333684 0.09490319
0.85438416 0.57595017 0.13945005
0.91989655 0.60260480 0.05704581
0.89583174 0.50348343 0.00777005
0.76892961 0.40621635 0.06915926
0.81497364 0.50178154 0.92696291
0.91288299 0.57780290 0.23610249
0.01360888 0.59709853 0.10923574
0.67588344 0.39260627 0.90634149
0.59184951 0.34488774 0.94704960
0.54087000 0.27909035 0.86907818
0.66898110 0.41986959 0.80358405
0.60263051 0.38069258 0.73730911
0.53367143 0.31241592 0.76669264
0.38124204 0.26344506 0.68311404
0.34502928 0.20964177 0.59996655
0.25158057 0.21446429 0.57068398
0.32255272 0.30866128 0.74359962
0.23115703 0.31645802 0.71023365
0.19544853 0.27301893 0.62179817
0.51390092 0.18794084 0.89183628
0.40011302 0.13866448 0.54859145
0.75085734 0.83752651 0.72470994
0.66439668 0.84901350 0.78834264
0.60605424 0.84976289 0.68863714
0.68745173 0.82424685 0.62956187
0.80168886 0.74562400 0.73435622
0.69418547 0.72157234 0.59688628
0.65815116 0.95178117 0.83045292
0.59341854 0.95638640 0.67015959
0.80714408 0.59458206 0.63370472
0.89704728 0.57947013 0.66845629
0.92455964 0.48380774 0.69035185
0.75361855 0.51693232 0.58933403
0.78354431 0.42319247 0.60253929
0.86017180 0.40320977 0.66582645
0.86186237 0.26799655 0.78547136
0.94452265 0.24341869 0.83453768
0.94493685 0.20502908 0.93044234
0.77878555 0.23801772 0.82277382
0.77925700 0.19093533 0.91451896
0.86164439 0.17915976 0.97109139
0.00862133 0.49486014 0.75013115
0.02532322 0.24263456 0.77310447
0.55378931 0.44553662 0.96066925
0.47489333 0.43854073 0.12781528
0.54519106 0.52165744 0.13191959
0.58544265 0.53170013 0.02648003
0.49939579 0.48255247 0.88017059
0.54628581 0.62013261 0.96924811
0.50730709 0.36003579 0.18302796
0.61622922 0.48740366 0.20810543
0.47396649 0.63444281 0.79193709
0.46799882 0.58245994 0.70202726
0.42451387 0.61750747 0.61584545
0.44601423 0.73001003 0.79208987
0.40937003 0.76886344 0.70347818
0.39457543 0.71272013 0.61716406
0.27627137 0.72491217 0.48883964
0.26110326 0.74961262 0.38887553
0.17331458 0.73200718 0.34239400
0.20811834 0.67655306 0.53990969
0.12118674 0.65867510 0.49273480
0.10294745 0.68894084 0.39528949
0.40799920 0.54371050 0.53248657
0.33854878 0.79854262 0.33640085
0.21072741 0.39687224 0.18973373
0.29640625 0.34206184 0.22804106
0.28682706 0.27501437 0.13635425
0.19518701 0.32618363 0.10123552
0.24410217 0.49191300 0.14716823
0.20595145 0.38860072 0.01119961
0.28225106 0.27699871 0.31498533
0.28393378 0.17260156 0.17747424
0.25468148 0.56106892 0.97662680
0.24971315 0.65478109 0.01345537
0.24006066 0.73626060 0.95310185
0.26107024 0.54955314 0.87429053
0.25648957 0.63078618 0.81413548
0.24352572 0.72486047 0.84924034
0.25566722 0.88934543 0.78155121
0.21390467 0.95384668 0.71218329
0.21699975 0.05244459 0.73711049
0.31749012 0.92704812 0.85636762
0.32070906 0.02580558 0.87908464
0.26584278 0.08801402 0.82282935
0.22523835 0.82314187 0.01731360
0.18474482 0.92720690 0.60643497
0.12353878 0.07830196 0.91082000
0.89484882 0.08224283 0.77641933
0.89140460 0.90569985 0.86213278
0.06529998 0.89180570 0.90218337
0.97809400 0.14012718 0.19269948
0.94862458 0.82891204 0.19319265
0.83555993 0.83866430 0.32522763
0.64222237 0.22550224 0.55815442
0.65163952 0.02615400 0.24742692
0.53513425 0.15385978 0.26061489
0.53653622 0.25981899 0.40744447
0.00452408 0.86237325 0.60556440
0.73790279 0.51519087 0.27912074
0.79113312 0.61588687 0.14282269
0.90945569 0.66757328 0.01121827
0.95246242 0.46051611 0.98465185
0.60719516 0.30629420 0.01646948
0.72073339 0.47090328 0.77787812
0.59949158 0.40173830 0.65951152
0.22312664 0.17217631 0.50695729
0.34802036 0.34055807 0.81383264
0.18895350 0.35576719 0.75816245
0.12369425 0.27946138 0.59551823
0.05934459 0.58451034 0.26119696
0.79960111 0.90057918 0.73042248
0.65358369 0.79287844 0.84431819
0.54242658 0.80611657 0.67560756
0.69633651 0.86927323 0.56403524
0.94150575 0.64097842 0.69517724
0.68741744 0.53101641 0.55074710
0.74056144 0.36139160 0.57370835
1.01048864 0.19367616 0.97098428
0.71382906 0.24166920 0.77752757
0.71456009 0.16154451 0.94118722
0.86060331 0.14560377 0.04418897
0.62106162 0.09003879 0.74665547
0.43632485 0.36478152 1.00417113
0.40401026 0.44629796 0.10046362
0.52131078 0.59286710 0.15456831
0.66057555 0.54779213 0.03106590
0.49331449 0.51031249 0.69845559
0.45474163 0.77302060 0.86013394
0.39130571 0.84473112 0.69967401
0.16089396 0.75240503 0.26484660
0.22016687 0.66191923 0.61851800
0.06603018 0.62520280 0.53374986
0.03254325 0.68097283 0.36287671
0.64287308 0.35282599 0.26894022
0.15695512 0.40672998 0.24166037
0.35870148 0.38850708 0.24403597
0.33943731 0.27874520 0.08299822
0.13359928 0.27776134 0.09257870
0.24780936 0.66486322 0.09278920
0.26911712 0.47900417 0.84089426
0.26353357 0.62128599 0.73515989
0.18061743 0.10163713 0.68715101
0.35564219 0.87767030 0.90473987
0.36194667 0.05199558 0.94478223
0.26332518 0.16433504 0.84277134
0.27954341 0.12284436 0.32551858
0.09698819 0.12734757 0.10799312
0.91542541 0.85327908 0.01971669
0.94918859 0.03828964 0.58006185
0.03586613 0.79290156 0.78519379
0.77650960 0.98735349 0.39788094
0.72403590 0.34828989 0.11949916
0.77595561 0.57749499 0.90090485
0.88524560 0.56459898 0.31954522
0.08662184 0.59024894 0.07105101
0.47603040 0.28181050 0.69208438
0.85822921 0.72343752 0.79965296
0.64399620 0.67688010 0.53447096
0.68414502 0.98004873 0.91445451
0.57285707 0.98953995 0.58769373
0.86668868 0.30723935 0.68932453
0.45283910 0.43533569 0.81441490
0.55041022 0.70433904 0.99837547
0.48119481 0.27486398 0.19752328
0.68741300 0.54425542 0.23765257
0.35944161 0.75727137 0.53332915
0.27407581 0.56257255 0.19612314
0.18594615 0.36532012 0.92488074
0.27740917 0.30505977 0.40028541
0.29327306 0.09629351 0.13397596
0.23286536 0.79147296 0.77299235
0.00754431 0.98109406 0.09199324
0.97185720 0.89162672 0.66209673
0.75113014 0.41893437 0.96407749
0.00357163 0.59019302 0.21161077
0.77234477 0.68604682 0.64917399
0.61981427 0.00890729 0.75503145
0.50532283 0.58536392 0.87884027
0.59704720 0.39834381 0.23478380
0.24313782 0.48172650 0.04243049
0.27658297 0.18165341 0.27994413
0.80014025 0.22728436 0.30482633
0.95048435 0.24315953 0.31343648
0.88114771 0.18530580 0.44024421
0.78013893 0.99406436 0.58309418
0.62191230 0.18170958 0.71097757
0.77618329 0.13732509 0.64532881
0.39002555 0.32296715 0.96726975
0.47557338 0.12427218 0.82676107
0.52368542 0.14951825 0.98168585
0.38603360 0.14036925 0.44636959
0.37620013 0.04579204 0.57540049
0.49093757 0.15226671 0.56955657
0.85441522 0.44644142 0.84330297
0.07387122 0.55461485 0.71992383
0.02903022 0.46796985 0.84049877
1.00825012 0.18682912 0.68988831
0.10077663 0.20911001 0.82292470
0.04874228 0.33293580 0.73527135
0.33772031 0.47925454 0.55377315
0.48457237 0.48929909 0.52374311
0.38660607 0.58000113 0.44148066
0.35292646 0.89438739 0.36425582
0.31963298 0.79713395 0.23672337
0.42124282 0.75607829 0.35311643
0.30496226 0.85483147 0.06786713
0.16237160 0.79987848 0.08689481
0.19079078 0.90103934 0.97011200
0.25973012 0.91105620 0.55452294
0.13868614 -0.00125667 0.55727785
0.12998595 0.84351622 0.59360962
No title
1
14.529441 -0.306501 -0.468279
-0.307548 13.754452 -0.027079
-0.472567 -0.023569 13.481085
C H O N F
110 60 25 10 30
Direct configuration= 105
0.07415620 0.03806896 0.95324705
0.92776316 0.01639240 0.75725644
0.95052948 0.93858062 0.82483007
0.02152341 0.95127821 0.92255821
0.06532324 0.05811379 0.05532892
0.97416974 0.91911372 0.01443139
0.95010592 -0.00789991 0.65863379
0.99078227 0.86262426 0.75808404
0.96310009 0.98486809 0.18041688
0.94504774 0.07461899 0.22102813
0.88623258 0.08129796 0.29772194
0.92969040 0.89850828 0.22191029
0.86783912 0.90397434 0.29486577
0.84236853 0.99398990 0.32879845
0.70993140 0.05420713 0.39588883
0.70577988 0.11060602 0.48380791
0.64737576 0.18985953 0.48644876
0.64975109 0.06999977 0.31458443
0.58657034 0.14285822 0.32131206
0.58808851 0.20496623 0.40451182
0.87901994 0.18281881 0.33920117
0.75486585 0.08240687 0.56923085
0.84499761 0.47333528 0.09491973
0.85437223 0.57594536 0.13948066
0.91988913 0.60261496 0.05707637
0.89581012 0.50349813 0.00777482
0.76889955 0.40620272 0.06919294
0.81495886 0.50181796 0.92697596
0.91287095 0.57777842 0.23614106
0.01359264 0.59710375 0.10927612
0.67587210 0.39260844 0.90635575
0.59184125 0.34489474 0.94706430
0.54085674 0.27908174 0.86909641
0.66897607 0.41987454 0.80358311
0.60261741 0.38067966 0.73731057
0.53366215 0.31240335 0.76669839
0.38123368 0.26345071 0.68313668
0.34501912 0.20960906 0.59994622
0.25158597 0.21445998 0.57068889
0.32254373 0.30865934 0.74355243
0.23117321 0.31649969 0.71022296
0.19545284 0.27301455 0.62174109
0.51390330 0.18795056 0.89185039
0.40011797 0.13864700 0.54858441
0.75084951 0.83751469 0.72467561
0.66439238 0.84899912 0.78831412
0.60604534 0.84974291 0.68860647
0.68744493 0.82423588 0.62952368
0.80169304 0.74560040 0.73433476
0.69418992 0.72156223 0.59682674
0.65815428 0.95177656 0.83043875
0.59339315 0.95636927 0.67013053
0.80715041 0.59456094 0.63366312
0.89704743 0.57946689 0.66840602
0.92459338 0.48381193 0.69033166
0.75361664 0.51691129 0.58931764
0.78355512 0.42316202 0.60252967
0.86018961 0.40319708 0.66579679
0.86192673 0.26800202 0.78545849
0.94456013 0.24343432 0.83452188
0.94499369 0.20505119 0.93044891
0.77882125 0.23803498 0.82275060
0.77931463 0.19096079 0.91452032
0.86167162 0.17919346 0.97108438
0.00860469 0.49486005 0.75008245
0.02537587 0.24263172 0.77310498
0.55379349 0.44555479 0.96067775
0.47488942 0.43856589 0.12783638
0.54518546 0.52168625 0.13193516
0.58545185 0.53171637 0.02649671
0.49939422 0.48255900 0.88016706
0.54631512 0.62013724 0.96925217
0.50728972 0.36008722 0.18305628
0.61621504 0.48743551 0.20813385
0.47399138 0.63446493 0.79194145
0.46804477 0.58247074 0.70202101
0.42454981 0.61750752 0.61584167
0.44601531 0.73001701 0.79208472
0.40936636 0.76886659 0.70347214
0.39458457 0.71270741 0.61714945
0.27627529 0.72489008 0.48883408
0.26109665 0.74961819 0.38884939
0.17330620 0.73203027 0.34239362
0.20812803 0.67652584 0.53987435
0.12119566 0.65866436 0.49273161
0.10294047 0.68896992 0.39527195
0.40803883 0.54370515 0.53247501
0.33854025 0.79855047 0.33638306
0.21071428 0.39687274 0.18975189
0.29638588 0.34205075 0.22805953
0.28680846 0.27500391 0.13636130
0.19516642 0.32618034 0.10124995
0.24409962 0.49191452 0.14718978
0.20592667 0.38859457 0.01120049
0.28221165 0.27697235 0.31495387
0.28390921 0.17262712 0.17749923
0.25467556 0.56106931 0.97664625
0.24971690 0.65477084 0.01346728
0.24007859 0.73626071 0.95312305
0.26107085 0.54953536 0.87429579
0.25649884 0.63078567 0.81414755
0.24354343 0.72485300 0.84924816
0.25567986 0.88934874 0.78156254
0.21392431 0.95384520 0.71221028
0.21701516 0.05245368 0.73712423
0.31751228 0.92704983 0.85639681
0.32071887 0.02581164 0.87910979
0.26586682 0.08801731 0.82286358
0.22527461 0.82315986 0.01732839
0.18473996 0.92719884 0.60645842
0.12350134 0.07829086 0.91080118
0.89484179 0.08222861 0.77642311
0.89138601 0.90565359 0.86212491
0.06529718 0.89176840 0.90217377
0.97809413 0.14010519 0.19271176
0.94860805 0.82888281 0.19320670
0.83554684 0.83866028 0.32524450
0.64220961 0.22556040 0.55811494
0.65163937 0.02613256 0.24741432
0.53513689 0.15385279 0.26057540
0.53653223 0.25984729 0.40738392
0.00449535 0.86234145 0.60553220
0.73788796 0.51522276 0.27916364
0.79112998 0.61588554 0.14286071
0.90944896 0.66759212 0.01126581
0.95244934 0.46053178 0.98464751
0.60718839 0.30630541 0.01648809
0.72071544 0.47089636 0.77788007
0.59948057 0.40171889 0.65951115
0.22312628 0.17214540 0.50694204
0.34802106 0.34058923 0.81382531
0.18896106 0.35582445 0.75810257
0.12370922 0.27948682 0.59546898
0.05933243 0.58448139 0.26123748
0.79959332 0.90056572 0.73039437
0.65358503 0.79286674 0.84429339
0.54242513 0.80608829 0.67557867
0.69632265 0.86927234 0.56400003
0.94151192 0.64098243 0.69511600
0.68740828 0.53097875 0.55074072
0.74057435 0.36135785 0.57370798
1.01052725 0.19370973 0.97099158
0.71388099 0.24168525 0.77751209
0.71460178 0.16157797 0.94117798
0.86064432 0.14564823 0.04419663
0.62104710 0.09002742 0.74664327
0.43630893 0.36481041 1.00422090
0.40399568 0.44634199 0.10049813
0.52130774 0.59290066 0.15457735
0.66058367 0.54779705 0.03109515
0.49338790 0.51033491 0.69845747
0.45472812 0.77303763 0.86013409
0.39128891 0.84472907 0.69965907
0.16087659 0.75244885 0.26484024
0.22019021 0.66185567 0.61849420
0.06604012 0.62518734 0.53373153
0.03253391 0.68102212 0.36287804
0.64284355 0.35286336 0.26899377
0.15694653 0.40673996 0.24168295
0.35868373 0.38848945 0.24406632
0.33941429 0.27874028 0.08300289
0.13357719 0.27775995 0.09259830
0.24780919 0.66486033 0.09281031
0.26911211 0.47899289 0.84090447
0.26354589 0.62127601 0.73516530
0.18064010 0.10164324 0.68717319
0.35566087 0.87767240 0.90476088
0.36195656 0.05199761 0.94482115
0.26334441 0.16434488 0.84280118
0.27948668 0.12282805 0.32551973
0.09698651 0.12734331 0.10800811
0.91543096 0.85323007 0.01972288
0.94913575 0.03826113 0.58004178
0.03586502 0.79286088 0.78516764
0.77649789 0.98736003 0.39789753
0.72403701 0.34834088 0.11949279
0.77591961 0.57751966 0.90095611
0.88523346 0.56456725 0.31957605
0.08662573 0.59028190 0.07108414
0.47603085 0.28179126 0.69209130
0.85820046 0.72341802 0.79961118
0.64402108 0.67687646 0.53439264
0.68415770 0.98004529 0.91441069
0.57281591 0.98952102 0.58767160
0.86674243 0.30723252 0.68930051
0.45284754 0.43536819 0.81443425
0.55045774 0.70438477 0.99838144
0.48116908 0.27489453 0.19757251
0.68740055 0.54428811 0.23768740
0.35944909 0.75725349 0.53331150
0.27408591 0.56256219 0.19614017
0.18592413 0.36532351 0.92489755
0.27734691 0.30506087 0.40033184
0.29327131 0.09624938 0.13396011
0.23288604 0.79147111 0.77300917
0.00753645 0.98106579 0.09198994
0.97183213 0.89159364 0.66207460
0.75112623 0.41893792 0.96407904
0.00356214 0.59016296 0.21165093
0.77234131 0.68603829 0.64912813
0.61979589 0.00889357 0.75500616
0.50534325 0.58538868 0.87884278
0.59703147 0.39837362 0.23482538
0.24312243 0.48172120 0.04244265
0.27654018 0.18163691 0.27995254
0.80013651 0.22728184 0.30484968
0.95047926 0.24315837 0.31343781
0.88116103 0.18530862 0.44026313
0.78007974 0.99409322 0.58312118
0.62191643 0.18171227 0.71099772
0.77617166 0.13737432 0.64531560
0.39002100 0.32300092 0.96728976
0.47557934 0.12425943 0.82677417
0.52369037 0.14951610 0.98170819
0.38599570 0.14031966 0.44636080
0.37625412 0.04577212 0.57542836
0.49094516 0.15229425 0.56950198
0.85439153 0.44651047 0.84327977
0.07388024 0.55463689 0.71992959
0.02903094 0.46793663 0.84049499
1.00832867 0.18676355 0.68992306
0.10084038 0.20917023 0.82295459
0.04875345 0.33292077 0.73520751
0.33773696 0.47926945 0.55373986
0.48459944 0.48926662 0.52375607
0.38668069 0.58000171 0.44146210
0.35291782 0.89439575 0.36424548
0.31961338 0.79714929 0.23670168
0.42123356 0.75608443 0.35308268
0.30501883 0.85487295 0.06783045
0.16245581 0.79990187 0.08695703
0.19078802 0.90103022 0.97012468
0.25971370 0.91106799 0.55451671
0.13864741 -0.00127919 0.55731457
0.13000349 0.84349113 0.59366025
No title
1
14.529911 -0.305893 -0.468360
-0.307039 13.753156 -0.028017
-0.472738 -0.024511 13.479235
C H O N F
110 60 25 10 30
Direct configuration= 106
0.07404800 0.03798098 0.95324743
0.92767951 0.01625812 0.75726543
0.95049987 0.93842746 0.82477441
0.02147618 0.95115620 0.92255032
0.06524562 0.05796937 0.05524579
0.97413560 0.91894965 0.01444685
0.94997642 -0.00804563 0.65851811
0.99073856 0.86246985 0.75801127
0.96306166 0.98477195 0.18044952
0.94503348 0.07454887 0.22107117
0.88622041 0.08127003 0.29777212
0.92963870 0.89842911 0.22196326
0.86778945 0.90393084 0.29493279
0.84234068 0.99396983 0.32885324
0.70988198 0.05424078 0.39587783
0.70571745 0.11070904 0.48377232
0.64733429 0.19000716 0.48630959
0.64973261 0.06998500 0.31452716
0.58656047 0.14287067 0.32116346
0.58806941 0.20505815 0.40432430
0.87902228 0.18280666 0.33925297
0.75474127 0.08255506 0.56921838
0.84497527 0.47334389 0.09497148
0.85433443 0.57592986 0.13960840
0.91985369 0.60265287 0.05721032
0.89575790 0.50355463 0.00781132
0.76886986 0.40626033 0.06921840
0.81488487 0.50193657 0.92702935
0.91282859 0.57767956 0.23628245
0.01356873 0.59712042 0.10942485
0.67582579 0.39262851 0.90639121
0.59180511 0.34491836 0.94712832
0.54081631 0.27909776 0.86915637
0.66892740 0.41986802 0.80359698
0.60257319 0.38063167 0.73732264
0.53363853 0.31235268 0.76673261
0.38121689 0.26339832 0.68311586
0.34502114 0.20952301 0.59993923
0.25159395 0.21438541 0.57063255
0.32253578 0.30871811 0.74349064
0.23118336 0.31661930 0.71006477
0.19548317 0.27306434 0.62161328
0.51389497 0.18792731 0.89192465
0.40013490 0.13856994 0.54854884
0.75081859 0.83745942 0.72453698
0.66437619 0.84894221 0.78819593
0.60601253 0.84966347 0.68848119
0.68741623 0.82418867 0.62936327
0.80164155 0.74553710 0.73417479
0.69423505 0.72154901 0.59661887
0.65814759 0.95173670 0.83031961
0.59329364 0.95629414 0.67002896
0.80715707 0.59449861 0.63349213
0.89707875 0.57945656 0.66820918
0.92465123 0.48380619 0.69019356
0.75361217 0.51679989 0.58924852
0.78359084 0.42305181 0.60247986
0.86028449 0.40315135 0.66569515
0.86212923 0.26802829 0.78539141
0.94475907 0.24347862 0.83449729
0.94517962 0.20515100 0.93045102
0.77901871 0.23810302 0.82268196
0.77950056 0.19107642 0.91448283
0.86184803 0.17933044 0.97108092
0.00863234 0.49486354 0.75000236
0.02559091 0.24262830 0.77310275
0.55381580 0.44562064 0.96071475
0.47485337 0.43869577 0.12790381
0.54516714 0.52180428 0.13200013
0.58548414 0.53178228 0.02656379
0.49942893 0.48264405 0.88021258
0.54643285 0.62022882 0.96928137
0.50721846 0.36022330 0.18320183
0.61615977 0.48755310 0.20825966
0.47409569 0.63454010 0.79194443
0.46823570 0.58252532 0.70201299
0.42469690 0.61749763 0.61581532
0.44601744 0.73006428 0.79207211
0.40934983 0.76886568 0.70343229
0.39462613 0.71267253 0.61710939
0.27630085 0.72482247 0.48875570
0.26108540 0.74963221 0.38878938
0.17326669 0.73213558 0.34235633
0.20817576 0.67639973 0.53978414
0.12121272 0.65863265 0.49266207
0.10291450 0.68907187 0.39525009
0.40820356 0.54368426 0.53243014
0.33850132 0.79858403 0.33630290
0.21065823 0.39687428 0.18982531
0.29630346 0.34200870 0.22812464
0.28672937 0.27496832 0.13639289
0.19508120 0.32616858 0.10130844
0.24407760 0.49189135 0.14725392
0.20583768 0.38858530 0.01125750
0.28203813 0.27693441 0.31505252
0.28382572 0.17257415 0.17751008
0.25465339 0.56103884 0.97669530
0.24973089 0.65475680 0.01353887
0.24015226 0.73625857 0.95319585
0.26106984 0.54949503 0.87433873
0.25654109 0.63075303 0.81418745
0.24361455 0.72483984 0.84930505
0.25575417 0.88935408 0.78164335
0.21399357 0.95385696 0.71229839
0.21709896 0.05248046 0.73721257
0.31758528 0.92705872 0.85649408
0.32077879 0.02582394 0.87923677
0.26594143 0.08804296 0.82297204
0.22543029 0.82321907 0.01739137
0.18472195 0.92716280 0.60656082
0.12333186 0.07822817 0.91073834
0.89481924 0.08215338 0.77643742
0.89133044 0.90547446 0.86208011
0.06526639 0.89163084 0.90214394
0.97810014 0.14002381 0.19275785
0.94853678 0.82877580 0.19326906
0.83548820 0.83863288 0.32531837
0.64215817 0.22579510 0.55794421
0.65163894 0.02604996 0.24737236
0.53514320 0.15382495 0.26040548
0.53651498 0.25996517 0.40713471
0.00437595 0.86220953 0.60540137
0.73782518 0.51535572 0.27933963
0.79110921 0.61588231 0.14301853
0.90942065 0.66767324 0.01145996
0.95238963 0.46060030 0.98462699
0.60715828 0.30635145 0.01656357
0.72065653 0.47088202 0.77788102
0.59943409 0.40163786 0.65950906
0.22313565 0.17203547 0.50690581
0.34800811 0.34069530 0.81374548
0.18898443 0.35607208 0.75787268
0.12376254 0.27958910 0.59525871
0.05928618 0.58436192 0.26140747
0.79956104 0.90051060 0.73027750
0.65359017 0.79281668 0.84419152
0.54241716 0.80597021 0.67545880
0.69626561 0.86926716 0.56385656
0.94153337 0.64099742 0.69486035
0.68736824 0.53082469 0.55071382
0.74062599 0.36121631 0.57370589
1.01070303 0.19384370 0.97103201
0.71407869 0.24175243 0.77743795
0.71478090 0.16171804 0.94113977
0.86081066 0.14583396 0.04422165
0.62098677 0.08997789 0.74659276
0.43624307 0.36492877 1.00442601
0.40394388 0.44652158 0.10064298
0.52129452 0.59303988 0.15461388
0.66062021 0.54781756 0.03121602
0.49369165 0.51042444 0.69846364
0.45467224 0.77310333 0.86012923
0.39121943 0.84472351 0.69959797
0.16080667 0.75262693 0.26482554
0.22028400 0.66159706 0.61837667
0.06607779 0.62512020 0.53366213
0.03249035 0.68122553 0.36287931
0.64273202 0.35300439 0.26922376
0.15691140 0.40678032 0.24177567
0.35861091 0.38841649 0.24419306
0.33932210 0.27871848 0.08301999
0.13348598 0.27775378 0.09267944
0.24780885 0.66484653 0.09288676
0.26909278 0.47893464 0.84094084
0.26359572 0.62123742 0.73519361
0.18072718 0.10167661 0.68725545
0.35574179 0.87767725 0.90485210
0.36199324 0.05200455 0.94497506
0.26342521 0.16438188 0.84292505
0.27925350 0.12275559 0.32553025
0.09694925 0.12726868 0.10803347
0.91546641 0.85304301 0.01974743
0.94891860 0.03813077 0.57999006
0.03583460 0.79273019 0.78504898
0.77645900 0.98738398 0.39795967
0.72394820 0.34842743 0.11957056
0.77576505 0.57764763 0.90115947
0.88517663 0.56443373 0.31972183
0.08660238 0.59042092 0.07124146
0.47601305 0.28171252 0.69212213
0.85814062 0.72331297 0.79950694
0.64409950 0.67684017 0.53404059
0.68422592 0.98004857 0.91428227
0.57264439 0.98944853 0.58756838
0.86696284 0.30720456 0.68920078
0.45283747 0.43545485 0.81445210
0.55065014 0.70450388 0.99838472
0.48107383 0.27506478 0.19776609
0.68735122 0.54442098 0.23783051
0.35947528 0.75717641 0.53323880
0.27413770 0.56254403 0.19622689
0.18582370 0.36532365 0.92491838
0.27710214 0.30500412 0.40032642
0.29324774 0.09620530 0.13397446
0.23296831 0.79146643 0.77306928
0.00749241 0.98093893 0.09200061
0.97173188 0.89145749 0.66198358
0.75110928 0.41894944 0.96410051
0.00351508 0.59003912 0.21180763
0.77233805 0.68598265 0.64893662
0.61972132 0.00883753 0.75490291
0.50543260 0.58548064 0.87886442
0.59695413 0.39853051 0.23497501
0.24306128 0.48170502 0.04250072
0.27636524 0.18157904 0.27996848
0.80012118 0.22727115 0.30494317
0.95045859 0.24315193 0.31344252
0.88121500 0.18531913 0.44033284
0.77984344 0.99418887 0.58323946
0.62193364 0.18172422 0.71107936
0.77612981 0.13758601 0.64528088
0.39000226 0.32313915 0.96737175
0.47560996 0.12421981 0.82683669
0.52371032 0.14951552 0.98178680
0.38584199 0.14011553 0.44632436
0.37647584 0.04568705 0.57554389
0.49097451 0.15240841 0.56928096
0.85429466 0.44679613 0.84318574
0.07389442 0.55470993 0.71995793
0.02901235 0.46782190 0.84039258
1.00864924 0.18649424 0.69006502
0.10109712 0.20941483 0.82307675
0.04880086 0.33285548 0.73494898
0.33780553 0.47933149 0.55360376
0.48471039 0.48913483 0.52380940
0.38698471 0.58000438 0.44138701
0.35288334 0.89443035 0.36420417
0.31953465 0.79721291 0.23661367
0.42119716 0.75610922 0.35294660
0.30525095 0.85504319 0.06768272
0.16279675 0.79999831 0.08721237
0.19077303 0.90100178 0.97017229
0.25964676 0.91111724 0.55449169
0.13848923 -0.00136978 0.55746425
0.13007372 0.84338854 0.59386612
No title
1
14.529966 -0.305785 -0.468399
-0.306951 13.752851 -0.028246
-0.472794 -0.024740 13.478841
C H O N F
110 60 25 10 30
Direct configuration= 107
0.07403176 0.03796362 0.95322408
0.92766552 0.01623574 0.75724084
0.95048350 0.93839270 0.82478175
0.02146404 0.95111543 0.92254104
0.06525067 0.05799855 0.05529908
0.97414176 0.91893020 0.01444506
0.94994531 -0.00807934 0.65854011
0.99072535 0.86245126 0.75798782
0.96305663 0.98475986 0.18045335
0.94502948 0.07453214 0.22108039
0.88621954 0.08126340 0.29777957
0.92962743 0.89840746 0.22197443
0.86778240 0.90392645 0.29494322
0.84233238 0.99396460 0.32886685
0.70987408 0.05424497 0.39587536
0.70569986 0.11073281 0.48375842
0.64732514 0.19003740 0.48628126
0.64972912 0.06997805 0.31450981
0.58656043 0.14287442 0.32113843
0.58806534 0.20507690 0.40428796
0.87902272 0.18280667 0.33926391
0.75472466 0.08257886 0.56923141
0.84496961 0.47334721 0.09497786
0.85433257 0.57592680 0.13963322
0.91984752 0.60265867 0.05723918
0.89575285 0.50356801 0.00782159
0.76885827 0.40626367 0.06922730
0.81486702 0.50195916 0.92703841
0.91281950 0.57765980 0.23631194
0.01355609 0.59712383 0.10945598
0.67581936 0.39263433 0.90639799
0.59179753 0.34492474 0.94713809
0.54080594 0.27909271 0.86917057
0.66891183 0.41986110 0.80360000
0.60256921 0.38062521 0.73732880
0.53363379 0.31234322 0.76674031
0.38121595 0.26338672 0.68310985
0.34502112 0.20950662 0.59993856
0.25159622 0.21437000 0.57062093
0.32253234 0.30873192 0.74348118
0.23118717 0.31664141 0.71003147
0.19548816 0.27307530 0.62158946
0.51389569 0.18793220 0.89193644
0.40013964 0.13855442 0.54854264
0.75081241 0.83744858 0.72450988
0.66437292 0.84893074 0.78817202
0.60600663 0.84964724 0.68845720
0.68741111 0.82418319 0.62933255
0.80164248 0.74552010 0.73415540
0.69421748 0.72151794 0.59654185
0.65814557 0.95172952 0.83029370
0.59327264 0.95628230 0.67000232
0.80716082 0.59448643 0.63345877
0.89708383 0.57945076 0.66817004
0.92465916 0.48380586 0.69016365
0.75361031 0.51677257 0.58923362
0.78359816 0.42303490 0.60246991
0.86030397 0.40314536 0.66567560
0.86216522 0.26803353 0.78537742
0.94480051 0.24348664 0.83449314
0.94521110 0.20517111 0.93045026
0.77906156 0.23811646 0.82267037
0.77953239 0.19109952 0.91447331
0.86188794 0.17935741 0.97108211
0.00864165 0.49486364 0.74999366
0.02563244 0.24262884 0.77310294
0.55382299 0.44563228 0.96072577
0.47484441 0.43872061 0.12791626
0.54516392 0.52182568 0.13201246
0.58549042 0.53179546 0.02657766
0.49942801 0.48265804 0.88020923
0.54645629 0.62026051 0.96929027
0.50720406 0.36025554 0.18322817
0.61615610 0.48759239 0.20828258
0.47411589 0.63455395 0.79194219
0.46827389 0.58253653 0.70201283
0.42472561 0.61749533 0.61580890
0.44601793 0.73007477 0.79207037
0.40934618 0.76886645 0.70342384
0.39463455 0.71266604 0.61710219
0.27630624 0.72480983 0.48873853
0.26108267 0.74963448 0.38877896
0.17325985 0.73215695 0.34234943
0.20818502 0.67637433 0.53976770
0.12121648 0.65862723 0.49264648
0.10290872 0.68909141 0.39524719
0.40823570 0.54368039 0.53242254
0.33849400 0.79859109 0.33628695
0.21064812 0.39687415 0.18983897
0.29628725 0.34200055 0.22813998
0.28671246 0.27496256 0.13640165
0.19506378 0.32616624 0.10131976
0.24407772 0.49189856 0.14727412
0.20581850 0.38858145 0.01126021
0.28200655 0.27691239 0.31501944
0.28380964 0.17255163 0.17750829
0.25464928 0.56103253 0.97670473
0.24973359 0.65475572 0.01355252
0.24016667 0.73625831 0.95320986
0.26106956 0.54948872 0.87434725
0.25654981 0.63074457 0.81419460
0.24362865 0.72483800 0.84931873
0.25577145 0.88935486 0.78166311
0.21400560 0.95386035 0.71231266
0.21711688 0.05248484 0.73723224
0.31759785 0.92705958 0.85651085
0.32079126 0.02582559 0.87926238
0.26595477 0.08805046 0.82299214
0.22546148 0.82322709 0.01740454
0.18471964 0.92715568 0.60658207
0.12329757 0.07821593 0.91072754
0.89481652 0.08213270 0.77644073
0.89132925 0.90544292 0.86206689
0.06525715 0.89160989 0.90214055
0.97810273 0.14000870 0.19276574
0.94852216 0.82875680 0.19328196
0.83547532 0.83862483 0.32533400
0.64214796 0.22584077 0.55790940
0.65163902 0.02603595 0.24736810
0.53514250 0.15381955 0.26036918
0.53651267 0.25998706 0.40708539
0.00435119 0.86218355 0.60537823
0.73781227 0.51538232 0.27937391
0.79110230 0.61588226 0.14304988
0.90941470 0.66768976 0.01149784
0.95237723 0.46061394 0.98462253
0.60715259 0.30636002 0.01657991
0.72064729 0.47088146 0.77788003
0.59942475 0.40162184 0.65950745
0.22313772 0.17201383 0.50689943
0.34800531 0.34071582 0.81372825
0.18898845 0.35612168 0.75782817
0.12377368 0.27960895 0.59521757
0.05927585 0.58433834 0.26144056
0.79955506 0.90049998 0.73025429
0.65359119 0.79280657 0.84417130
0.54241545 0.80594663 0.67543486
0.69625441 0.86926564 0.56382852
0.94153837 0.64100166 0.69481030
0.68736101 0.53079473 0.55070907
0.74063538 0.36118728 0.57370503
1.01073966 0.19386968 0.97104166
0.71411600 0.24176581 0.77742269
0.71481737 0.16174609 0.94113212
0.86084321 0.14587085 0.04422611
0.62097478 0.08996862 0.74658233
0.43622929 0.36495163 1.00446618
0.40393465 0.44655686 0.10067221
0.52129179 0.59306786 0.15462122
0.66062718 0.54782155 0.03123955
0.49375128 0.51044251 0.69846499
0.45466124 0.77311600 0.86012772
0.39120604 0.84472138 0.69958595
0.16079280 0.75266244 0.26482259
0.22030244 0.66154610 0.61835265
0.06608475 0.62510658 0.53364883
0.03248207 0.68126561 0.36287980
0.64270766 0.35303541 0.26926744
0.15690368 0.40678827 0.24179406
0.35859582 0.38840197 0.24421762
0.33930467 0.27871426 0.08302268
0.13346825 0.27775211 0.09269514
0.24780894 0.66484371 0.09290239
0.26908900 0.47892318 0.84094817
0.26360537 0.62123022 0.73520019
0.18074397 0.10168371 0.68727126
0.35575807 0.87767804 0.90487025
0.36200053 0.05200608 0.94500546
0.26344122 0.16438789 0.84294929
0.27920731 0.12274079 0.32553090
0.09691965 0.12720642 0.10799858
0.91546020 0.85299116 0.01975265
0.94887707 0.03811549 0.57995873
0.03583330 0.79269509 0.78502902
0.77645128 0.98738997 0.39797069
0.72393421 0.34844923 0.11958168
0.77573552 0.57767173 0.90120069
0.88516548 0.56440727 0.31974925
0.08660297 0.59044814 0.07127050
0.47600769 0.28169566 0.69212774
0.85811938 0.72329550 0.79947549
0.64413979 0.67685574 0.53400154
0.68424010 0.98004924 0.91425711
0.57261161 0.98943142 0.58755278
0.86700702 0.30719636 0.68918295
0.45284080 0.43547657 0.81446249
0.55068779 0.70451581 0.99838157
0.48105424 0.27509481 0.19780578
0.68733726 0.54444278 0.23785781
0.35948043 0.75716086 0.53322433
0.27414336 0.56253035 0.19623728
0.18580586 0.36532618 0.92493033
0.27705040 0.30500657 0.40037107
0.29324221 0.09620676 0.13398258
0.23298417 0.79146614 0.77308041
0.00748335 0.98091346 0.09200283
0.97171483 0.89142671 0.66195922
0.75110392 0.41895188 0.96410380
0.00350719 0.59001465 0.21183787
0.77233742 0.68597511 0.64890064
0.61970714 0.00882448 0.75488471
0.50545190 0.58549603 0.87887242
0.59694023 0.39854700 0.23501089
0.24304870 0.48170078 0.04251293
0.27633053 0.18156893 0.27997422
0.80011877 0.22726830 0.30496184
0.95045383 0.24314958 0.31344363
0.88122549 0.18532094 0.44034624
0.77979458 0.99421436 0.58326185
0.62193728 0.18172628 0.71109575
0.77611998 0.13762558 0.64526735
0.38999935 0.32316773 0.96738860
0.47561545 0.12421066 0.82684852
0.52371436 0.14951430 0.98180462
0.38581116 0.14007475 0.44631753
0.37651986 0.04566988 0.57556754
0.49097977 0.15243119 0.56923695
0.85427537 0.44685385 0.84316730
0.07389608 0.55472410 0.71996456
0.02900756 0.46780007 0.84036599
1.00871250 0.18643970 0.69009234
0.10114886 0.20946278 0.82310109
0.04881055 0.33284165 0.73489745
0.33781984 0.47934440 0.55357612
0.48473307 0.48910832 0.52381981
0.38704525 0.58000488 0.44137181
0.35287645 0.89443749 0.36419619
0.31951882 0.79722589 0.23659578
0.42118978 0.75611416 0.35291944
0.30529801 0.85507776 0.06765467
0.16286447 0.80001784 0.08726382
0.19076907 0.90099850 0.97018046
0.25963268 0.91112757 0.55448690
0.13845735 -0.00138794 0.55749446
0.13008754 0.84336801 0.59390741
No title
1
14.530321 -0.305098 -0.468421
-0.306365 13.751524 -0.029126
-0.472908 -0.025627 13.476927
C H O N F
110 60 25 10 30
Direct configuration= 108
0.07392460 0.03787357 0.95318731
0.92759173 0.01611175 0.75716833
0.95041883 0.93823711 0.82477928
0.02140442 0.95094916 0.92250493
0.06517538 0.05788367 0.05528874
0.97411837 0.91877027 0.01444955
0.94979057 -0.00819322 0.65851251
0.99068106 0.86230760 0.75789356
0.96302040 0.98466159 0.18048046
0.94501771 0.07446131 0.22111949
0.88620674 0.08122793 0.29782762
0.92957600 0.89832527 0.22202546
0.86773898 0.90388615 0.29500328
0.84229628 0.99394990 0.32893109
0.70982747 0.05427122 0.39585747
0.70562381 0.11084522 0.48370629
0.64728132 0.19018655 0.48613967
0.64971248 0.06995347 0.31444087
0.58655678 0.14288680 0.32099831
0.58804345 0.20517466 0.40410550
0.87902443 0.18280125 0.33931989
0.75462399 0.08271125 0.56925982
0.84494091 0.47336710 0.09500704
0.85431063 0.57591776 0.13976194
0.91981708 0.60269523 0.05738153
0.89572504 0.50363336 0.00787124
0.76880240 0.40628391 0.06926332
0.81477790 0.50207112 0.92708694
0.91277688 0.57756031 0.23645908
0.01352046 0.59713938 0.10960510
0.67577424 0.39265818 0.90643097
0.59176289 0.34495167 0.94719561
0.54076145 0.27909435 0.86923497
0.66886047 0.41984793 0.80362079
0.60252867 0.38057897 0.73734423
0.53360992 0.31229387 0.76677418
0.38120122 0.26334225 0.68310039
0.34501822 0.20941481 0.59992408
0.25160566 0.21430143 0.57057322
0.32251913 0.30878736 0.74340846
0.23120754 0.31676516 0.70988438
0.19551473 0.27311747 0.62145095
0.51389134 0.18792546 0.89200638
0.40016017 0.13847760 0.54851110
0.75078173 0.83738958 0.72437181
0.66435671 0.84887338 0.78805113
0.60597584 0.84956723 0.68833183
0.68738263 0.82413721 0.62917069
0.80159433 0.74545370 0.73399973
0.69425641 0.72150036 0.59632645
0.65813947 0.95169370 0.83017507
0.59317322 0.95620623 0.66989601
0.80717444 0.59442697 0.63329006
0.89711140 0.57942821 0.66797232
0.92471773 0.48380263 0.69002611
0.75360170 0.51665303 0.58916036
0.78363427 0.42293121 0.60241977
0.86039913 0.40311116 0.66557433
0.86236941 0.26806025 0.78530946
0.94499567 0.24353305 0.83446249
0.94539231 0.20527096 0.93045424
0.77925701 0.23818379 0.82260522
0.77971595 0.19121463 0.91443786
0.86206305 0.17949400 0.97107966
0.00866516 0.49486755 0.74991387
0.02584527 0.24262560 0.77310039
0.55385240 0.44569554 0.96077091
0.47480615 0.43884749 0.12798079
0.54514880 0.52194022 0.13207522
0.58552335 0.53186444 0.02664916
0.49945010 0.48274463 0.88023333
0.54657258 0.62034158 0.96931437
0.50713701 0.36040437 0.18337008
0.61610899 0.48772381 0.20840607
0.47421956 0.63462780 0.79194271
0.46846518 0.58259025 0.70200384
0.42487185 0.61748603 0.61578076
0.44601996 0.73012276 0.79205600
0.40932936 0.76887081 0.70338650
0.39467600 0.71262958 0.61706122
0.27633034 0.72474030 0.48866522
0.26106931 0.74964932 0.38871651
0.17322222 0.73226222 0.34231889
0.20823242 0.67624996 0.53967247
0.12123617 0.65859561 0.49258041
0.10288106 0.68919451 0.39522159
0.40839851 0.54365886 0.53238116
0.33845565 0.79862636 0.33620753
0.21059383 0.39687642 0.18991139
0.29620492 0.34195937 0.22820620
0.28663036 0.27492812 0.13643540
0.19497729 0.32615325 0.10137597
0.24405676 0.49188143 0.14734201
0.20573041 0.38857365 0.01131155
0.28183470 0.27686482 0.31508309
0.28372330 0.17251753 0.17753015
0.25462778 0.56100518 0.97675892
0.24974806 0.65474288 0.01362098
0.24023908 0.73625895 0.95328391
0.26106906 0.54944902 0.87438710
0.25659268 0.63071161 0.81423472
0.24369997 0.72482428 0.84937870
0.25584705 0.88936091 0.78174560
0.21407306 0.95387202 0.71239723
0.21719991 0.05251111 0.73731971
0.31767111 0.92706449 0.85660709
0.32084825 0.02584022 0.87938482
0.26603132 0.08807992 0.82310447
0.22561834 0.82327514 0.01747082
0.18470283 0.92712051 0.60668633
0.12313636 0.07816169 0.91065884
0.89480526 0.08202824 0.77645179
0.89130337 0.90527239 0.86200878
0.06522086 0.89148710 0.90212003
0.97810943 0.13992820 0.19281042
0.94844989 0.82865281 0.19334372
0.83541409 0.83859188 0.32540960
0.64209624 0.22607268 0.55773550
0.65163915 0.02595866 0.24733554
0.53514352 0.15379214 0.26019135
0.53649952 0.26009893 0.40683577
0.00423353 0.86204976 0.60524956
0.73774691 0.51551675 0.27954650
0.79107295 0.61587859 0.14320812
0.90938484 0.66777092 0.01169122
0.95231806 0.46068101 0.98459799
0.60712326 0.30640527 0.01665888
0.72059154 0.47086974 0.77787897
0.59937856 0.40154028 0.65950337
0.22314657 0.17190150 0.50686346
0.34799391 0.34082422 0.81365083
0.18901193 0.35636867 0.75759834
0.12382952 0.27970938 0.59501062
0.05922531 0.58421930 0.26160833
0.79952557 0.90044713 0.73013700
0.65359633 0.79275598 0.84406880
0.54240714 0.80582787 0.67531391
0.69619898 0.86925922 0.56368608
0.94156219 0.64101985 0.69455666
0.68732452 0.53064008 0.55068463
0.74068548 0.36104411 0.57370237
1.01091563 0.19400290 0.97108297
0.71431064 0.24183318 0.77734977
0.71499632 0.16188575 0.94109475
0.86100840 0.14605612 0.04425117
0.62091458 0.08991961 0.74653101
0.43616263 0.36506947 1.00467146
0.40388346 0.44673602 0.10081811
0.52127811 0.59320783 0.15465738
0.66066245 0.54784194 0.03135838
0.49405241 0.51053375 0.69847169
0.45460601 0.77318205 0.86012253
0.39113801 0.84471234 0.69952486
0.16072270 0.75284219 0.26480691
0.22039597 0.66128794 0.61823579
0.06612145 0.62503915 0.53357971
0.03243998 0.68146797 0.36288275
0.64259684 0.35317807 0.26949643
0.15686599 0.40682776 0.24188611
0.35852101 0.38832913 0.24434317
0.33921437 0.27869330 0.08303893
0.13337836 0.27774687 0.09277455
0.24780920 0.66483084 0.09298167
0.26906973 0.47886776 0.84098613
0.26365430 0.62119330 0.73523086
0.18083079 0.10171673 0.68735426
0.35583872 0.87768374 0.90495994
0.36203911 0.05201395 0.94516035
0.26352162 0.16442245 0.84307205
0.27897424 0.12266966 0.32553965
0.09687487 0.12711882 0.10800584
0.91548505 0.85279379 0.01977396
0.94866661 0.03798372 0.57989494
0.03580463 0.79255410 0.78491341
0.77641315 0.98741555 0.39803008
0.72385897 0.34855026 0.11964444
0.77558616 0.57779499 0.90140783
0.88510712 0.56427346 0.31989035
0.08658307 0.59058653 0.07142703
0.47598899 0.28161351 0.69215851
0.85805400 0.72319035 0.79936568
0.64422338 0.67682376 0.53365500
0.68430835 0.98005009 0.91412143
0.57244086 0.98935757 0.58744850
0.86722791 0.30715766 0.68909093
0.45283877 0.43556875 0.81448879
0.55087999 0.70464445 0.99838851
0.48095492 0.27525320 0.19800194
0.68728595 0.54457003 0.23800217
0.35950814 0.75708414 0.53315101
0.27419128 0.56250819 0.19632152
0.18570877 0.36532951 0.92495698
0.27680248 0.30495802 0.40039716
0.29321975 0.09614393 0.13398577
0.23306541 0.79146276 0.77314144
0.00744182 0.98080093 0.09202161
0.97161996 0.89128313 0.66186650
0.75108272 0.41896733 0.96412375
0.00346369 0.58989092 0.21199117
0.77233615 0.68591934 0.64871033
0.61963383 0.00876603 0.75478733
0.50554324 0.58558217 0.87889892
0.59686098 0.39869420 0.23516444
0.24298693 0.48168275 0.04257089
0.27615613 0.18150904 0.27999132
0.80010576 0.22725463 0.30505518
0.95043185 0.24313992 0.31344880
0.88127782 0.18532978 0.44041483
0.77955146 0.99432897 0.58337824
0.62195623 0.18173651 0.71117744
0.77607514 0.13783647 0.64521602
0.38998165 0.32330891 0.96747097
0.47564491 0.12416856 0.82691057
0.52373459 0.14951235 0.98188871
0.38565591 0.13986880 0.44628342
0.37674124 0.04558278 0.57568700
0.49100949 0.15254558 0.56901581
0.85417808 0.44714501 0.84307626
0.07390867 0.55479831 0.71999813
0.02898954 0.46768396 0.84025692
1.00903006 0.18616993 0.69023221
0.10140966 0.20970332 0.82322447
0.04885921 0.33277265 0.73463854
0.33789196 0.47940959 0.55343746
0.48484789 0.48897467 0.52387249
0.38735058 0.58000751 0.44129635
0.35284218 0.89447474 0.36415670
0.31943894 0.79729140 0.23650484
0.42115298 0.75613916 0.35278222
0.30553442 0.85525053 0.06751373
0.16320614 0.80011674 0.08752101
0.19075139 0.90097741 0.97022493
0.25956373 0.91117909 0.55446194
0.13829768 -0.00148080 0.55764757
0.13015776 0.84326404 0.59411532
No title
1
14.530385 -0.305013 -0.468537
-0.306295 13.751307 -0.029261
-0.473028 -0.025764 13.476684
C H O N F
110 60 25 10 30
Direct configuration= 109
0.07389562 0.03783538 0.95317854
0.92757507 0.01607382 0.75722036
0.95043166 0.93823439 0.82472321
0.02138641 0.95095708 0.92251303
0.06515469 0.05784824 0.05527781
0.97411227 0.91873791 0.01445255
0.94977665 -0.00822262 0.65845203
0.99066533 0.86228604 0.75788728
0.96301144 0.98464105 0.18049106
0.94501541 0.07445116 0.22112718
0.88620305 0.08122555 0.29783849
0.92956911 0.89831950 0.22203172
0.86772450 0.90387354 0.29502057
0.84229767 0.99394613 0.32893423
0.70981631 0.05427974 0.39585590
0.70562219 0.11085568 0.48371209
0.64727514 0.19020999 0.48611587
0.64970962 0.06995744 0.31444181
0.58655028 0.14288698 0.32096331
0.58804251 0.20518794 0.40407349
0.87902594 0.18279309 0.33932571
0.75458846 0.08274869 0.56923061
0.84493228 0.47336041 0.09501833
0.85429441 0.57591556 0.13978247
0.91981442 0.60270718 0.05740093
0.89570274 0.50364204 0.00787158
0.76881007 0.40630601 0.06926691
0.81477298 0.50209285 0.92710199
0.91277246 0.57754422 0.23648007
0.01351331 0.59714361 0.10963483
0.67576500 0.39265961 0.90644079
0.59175833 0.34495341 0.94720921
0.54075564 0.27910048 0.86924412
0.66885992 0.41985483 0.80361634
0.60251859 0.38056865 0.73734462
0.53360395 0.31228365 0.76677823
0.38119466 0.26333939 0.68310605
0.34501576 0.20939702 0.59991854
0.25160845 0.21429298 0.57057066
0.32251784 0.30879106 0.74338559
0.23121090 0.31679039 0.70986676
0.19552102 0.27312039 0.62142311
0.51388894 0.18791774 0.89202070
0.40016271 0.13846295 0.54850675
0.75077733 0.83738514 0.72434698
0.66435368 0.84886247 0.78803112
0.60596860 0.84955227 0.68830991
0.68737948 0.82413120 0.62914590
0.80161281 0.74543058 0.73400085
0.69424066 0.72146956 0.59625609
0.65814283 0.95168800 0.83016502
0.59315486 0.95619718 0.66987238
0.80717435 0.59440399 0.63325605
0.89711510 0.57943465 0.66793937
0.92474072 0.48380156 0.69001198
0.75360411 0.51664592 0.58915178
0.78364173 0.42290479 0.60241291
0.86041187 0.40309636 0.66555626
0.86241211 0.26806379 0.78530208
0.94502224 0.24354181 0.83445555
0.94543279 0.20528707 0.93045657
0.77928195 0.23819649 0.82258865
0.77975542 0.19123210 0.91444003
0.86208160 0.17951771 0.97107537
0.00865435 0.49486896 0.74987895
0.02588391 0.24262040 0.77309833
0.55385083 0.44571201 0.96076939
0.47480653 0.43886523 0.12799568
0.54514390 0.52196273 0.13208661
0.58552945 0.53187383 0.02665942
0.49945859 0.48274656 0.88024487
0.54659451 0.62036958 0.96932659
0.50712177 0.36042965 0.18339233
0.61609588 0.48774164 0.20842538
0.47423698 0.63464461 0.79194513
0.46849650 0.58259919 0.70199998
0.42489727 0.61748572 0.61577894
0.44602118 0.73012757 0.79205342
0.40932710 0.76886923 0.70338013
0.39468274 0.71262261 0.61705208
0.27633490 0.72472725 0.48865742
0.26106616 0.74965354 0.38870174
0.17321548 0.73227974 0.34231511
0.20823924 0.67622947 0.53965214
0.12124024 0.65858849 0.49257518
0.10287749 0.68921359 0.39521354
0.40842796 0.54365544 0.53237159
0.33844892 0.79863299 0.33619425
0.21058329 0.39687634 0.18992394
0.29619015 0.34195161 0.22821991
0.28661868 0.27492199 0.13643973
0.19496407 0.32615268 0.10138648
0.24405679 0.49188828 0.14736079
0.20571238 0.38856779 0.01130726
0.28180793 0.27684298 0.31504619
0.28370867 0.17250715 0.17753389
0.25462420 0.56100566 0.97676934
0.24975100 0.65473548 0.01363251
0.24025211 0.73625820 0.95329840
0.26106956 0.54943761 0.87439450
0.25659914 0.63071260 0.81424445
0.24371210 0.72482113 0.84938315
0.25585558 0.88936318 0.78175330
0.21408761 0.95387246 0.71241831
0.21721162 0.05251725 0.73733121
0.31768577 0.92706873 0.85662615
0.32085769 0.02584284 0.87940528
0.26604596 0.08807991 0.82312466
0.22564328 0.82329544 0.01748200
0.18469622 0.92711447 0.60670242
0.12311446 0.07815855 0.91064068
0.89480171 0.08201631 0.77645048
0.89127537 0.90523272 0.86201035
0.06522749 0.89145081 0.90211083
0.97811003 0.13991355 0.19281834
0.94843834 0.82863115 0.19335233
0.83540646 0.83859109 0.32541997
0.64208718 0.22611307 0.55770700
0.65163904 0.02594012 0.24732120
0.53514887 0.15378669 0.26016684
0.53649407 0.26012076 0.40679272
0.00421506 0.86202932 0.60522587
0.73773825 0.51553836 0.27957811
0.79107347 0.61587566 0.14323471
0.90938010 0.66778232 0.01172594
0.95231269 0.46069005 0.98459256
0.60711794 0.30641405 0.01666986
0.72057708 0.47086248 0.77788109
0.59937139 0.40152625 0.65950385
0.22314742 0.17188057 0.50685618
0.34799312 0.34084507 0.81364175
0.18901753 0.35640938 0.75755710
0.12383819 0.27972634 0.59497584
0.05921751 0.58419901 0.26163701
0.79952009 0.90043562 0.73011692
0.65359723 0.79274798 0.84405055
0.54240699 0.80580838 0.67529316
0.69619010 0.86925870 0.56366014
0.94156412 0.64101891 0.69451227
0.68731635 0.53061385 0.55067898
0.74069577 0.36102152 0.57370303
1.01094199 0.19402654 0.97108784
0.71434696 0.24184458 0.77734030
0.71502470 0.16190866 0.94108920
0.86103680 0.14608682 0.04425744
0.62090420 0.08991136 0.74652239
0.43615172 0.36509025 1.00470715
0.40387190 0.44676712 0.10084230
0.52127627 0.59323039 0.15466296
0.66066892 0.54784615 0.03137832
0.49410366 0.51054874 0.69847282
0.45459692 0.77319377 0.86012200
0.39112589 0.84471313 0.69951419
0.16071102 0.75287343 0.26480475
0.22041196 0.66124358 0.61821723
0.06612865 0.62502837 0.53356709
0.03243271 0.68150249 0.36288359
0.64257509 0.35320499 0.26953366
0.15685923 0.40683446 0.24190131
0.35850824 0.38831702 0.24436399
0.33919779 0.27868986 0.08304293
0.13336241 0.27774580 0.09278716
0.24780950 0.66482909 0.09299591
0.26906632 0.47885987 0.84099339
0.26366267 0.62118720 0.73523438
0.18084623 0.10172120 0.68736972
0.35585266 0.87768453 0.90497518
0.36204550 0.05201492 0.94518593
0.26353508 0.16443111 0.84309349
0.27893456 0.12265646 0.32554043
0.09687401 0.12712044 0.10801858
0.91549382 0.85276626 0.01977942
0.94862853 0.03795661 0.57990018
0.03580436 0.79252444 0.78489458
0.77640474 0.98741753 0.39804474
0.72384131 0.34856130 0.11965830
0.77555857 0.57781466 0.90144354
0.88509584 0.56425003 0.31991721
0.08658474 0.59060900 0.07144979
0.47599071 0.28160059 0.69216541
0.85802073 0.72317991 0.79932311
0.64425987 0.67683875 0.53362342
0.68431820 0.98004751 0.91409095
0.57241408 0.98934299 0.58743655
0.86726360 0.30715970 0.68907132
0.45284032 0.43558833 0.81449573
0.55091096 0.70465295 0.99838449
0.48093925 0.27528374 0.19803495
0.68727756 0.54459562 0.23802544
0.35951303 0.75707101 0.53313909
0.27419531 0.56249596 0.19633000
0.18569563 0.36533424 0.92497277
0.27675737 0.30496232 0.40044294
0.29321482 0.09613777 0.13398788
0.23308003 0.79146049 0.77315506
0.00743625 0.98077971 0.09201366
0.97159827 0.89126884 0.66186219
0.75107667 0.41896836 0.96412413
0.00345431 0.58986978 0.21201979
0.77233176 0.68591778 0.64867847
0.61961909 0.00875684 0.75476519
0.50555600 0.58560186 0.87889671
0.59685211 0.39871687 0.23519274
0.24297654 0.48168034 0.04258067
0.27612652 0.18150030 0.27999649
0.80010166 0.22725396 0.30507037
0.95042963 0.24313969 0.31344936
0.88128642 0.18533202 0.44042901
0.77951463 0.99433438 0.58340240
0.62196008 0.18173735 0.71119177
0.77607187 0.13788048 0.64521859
0.38997768 0.32333331 0.96748461
0.47565051 0.12416266 0.82692262
0.52373783 0.14951352 0.98190205
0.38562915 0.13983259 0.44627819
0.37677996 0.04556915 0.57570847
0.49101457 0.15256507 0.56897763
0.85416011 0.44719504 0.84306199
0.07391362 0.55481449 0.72000352
0.02898977 0.46765826 0.84025493
1.00908443 0.18612609 0.69025826
0.10145197 0.20974367 0.82324342
0.04886820 0.33276000 0.73459426
0.33790342 0.47941956 0.55341414
0.48486750 0.48895235 0.52388176
0.38740365 0.58000830 0.44128337
0.35283639 0.89448062 0.36414986
0.31942587 0.79730326 0.23649127
0.42114650 0.75614358 0.35275797
0.30557221 0.85527904 0.06748762
0.16326468 0.80013322 0.08756467
0.19075124 0.90096786 0.97023646
0.25955322 0.91118777 0.55445674
0.13827029 -0.00149733 0.55767499
0.13017178 0.84324758 0.59415203
No title
1
14.530884 -0.304318 -0.468599
-0.305714 13.749839 -0.030343
-0.473191 -0.026851 13.474665
C H O N F
110 60 25 10 30
Direct configuration= 110
0.07377762 0.03771788 0.95312654
0.92748537 0.01592368 0.75720994
0.95038221 0.93807124 0.82465857
0.02131176 0.95080444 0.92248560
0.06508852 0.05776661 0.05531027
0.97409370 0.91856982 0.01445594
0.94962427 -0.00839400 0.65839616
0.99061311 0.86212385 0.75779876
0.96297303 0.98454440 0.18052451
0.94499668 0.07436759 0.22117711
0.88619293 0.08119429 0.29788893
0.92950793 0.89822162 0.22209184
0.86767254 0.90383091 0.29509091
0.84226369 0.99391815 0.32899893
0.70976398 0.05431411 0.39584829
0.70554421 0.11097331 0.48365954
0.64722942 0.19037420 0.48595913
0.64968810 0.06993579 0.31436898
0.58653996 0.14290305 0.32080053
0.58802138 0.20528852 0.40386224
0.87902888 0.18277906 0.33938483
0.75446069 0.08291345 0.56923739
0.84489815 0.47337003 0.09506748
0.85425704 0.57589832 0.13992181
0.91977922 0.60275102 0.05755459
0.89564595 0.50370785 0.00791134
0.76877425 0.40635885 0.06930165
0.81469097 0.50222293 0.92716613
0.91272167 0.57743329 0.23664211
0.01348662 0.59716281 0.10980142
0.67571517 0.39268490 0.90647868
0.59171914 0.34498172 0.94727625
0.54070742 0.27910732 0.86931425
0.66879728 0.41983942 0.80362750
0.60247897 0.38052003 0.73736489
0.53357869 0.31222658 0.76681926
0.38118013 0.26327589 0.68307535
0.34502052 0.20930342 0.59991794
0.25161859 0.21420495 0.57050570
0.32250891 0.30886443 0.74332568
0.23122199 0.31691967 0.70968285
0.19555444 0.27317962 0.62129151
0.51388291 0.18790534 0.89210176
0.40018339 0.13837345 0.54847190
0.75074586 0.83732112 0.72419237
0.66433675 0.84879828 0.78789607
0.60593360 0.84946275 0.68816848
0.68735008 0.82407854 0.62896638
0.80153457 0.74536958 0.73380056
0.69428371 0.72144383 0.59601009
0.65813124 0.95163751 0.83001264
0.59304478 0.95611406 0.66975672
0.80718451 0.59433807 0.63306385
0.89714885 0.57941754 0.66771906
0.92480364 0.48379649 0.68985834
0.75359947 0.51651224 0.58907224
0.78368248 0.42278918 0.60235804
0.86051768 0.40304644 0.66544694
0.86262496 0.26809422 0.78522688
0.94524992 0.24358636 0.83443156
0.94562903 0.20539813 0.93045542
0.77950992 0.23827282 0.82251869
0.77995055 0.19136157 0.91439612
0.86228810 0.17967039 0.97107761
0.00868583 0.49487046 0.74979480
0.02612349 0.24261385 0.77309447
0.55387865 0.44578765 0.96081112
0.47476521 0.43900758 0.12806797
0.54512391 0.52209203 0.13215742
0.58556498 0.53194720 0.02673392
0.49949251 0.48283718 0.88028473
0.54672450 0.62047959 0.96935974
0.50704169 0.36058442 0.18355317
0.61604356 0.48789088 0.20856258
0.47435313 0.63472670 0.79194340
0.46870918 0.58266195 0.70199313
0.42506059 0.61747421 0.61574720
0.44602440 0.73018272 0.79204101
0.40930813 0.76886818 0.70333266
0.39473013 0.71258566 0.61700979
0.27636523 0.72465498 0.48856584
0.26105422 0.74967056 0.38864008
0.17317198 0.73240011 0.34227329
0.20829287 0.67608721 0.53955584
0.12125826 0.65855472 0.49249341
0.10284855 0.68932536 0.39519439
0.40861389 0.54363220 0.53232252
0.33840484 0.79867428 0.33610418
0.21051930 0.39687830 0.19000411
0.29609741 0.34190558 0.22829213
0.28652907 0.27488457 0.13647583
0.19486938 0.32614163 0.10144972
0.24403162 0.49186680 0.14743452
0.20561675 0.38856065 0.01137604
0.28161369 0.27680027 0.31515163
0.28361663 0.17241868 0.17752903
0.25460102 0.56097040 0.97682326
0.24976749 0.65472523 0.01371564
0.24033454 0.73625702 0.95338087
0.26106883 0.54939897 0.87444615
0.25664732 0.63067431 0.81428982
0.24379130 0.72481100 0.84945255
0.25594234 0.88936848 0.78185012
0.21416224 0.95388876 0.71251293
0.21730741 0.05254558 0.73743470
0.31776439 0.92707929 0.85672961
0.32092794 0.02585435 0.87954980
0.26612531 0.08811222 0.82324160
0.22581916 0.82336139 0.01755700
0.18467548 0.92707362 0.60682047
0.12293367 0.07810019 0.91055914
0.89478409 0.08190967 0.77646106
0.89122330 0.90503406 0.86195609
0.06519817 0.89129999 0.90207840
0.97811891 0.13982425 0.19286686
0.94835760 0.82851381 0.19341950
0.83533997 0.83855646 0.32550262
0.64202873 0.22637303 0.55751285
0.65163933 0.02584945 0.24727815
0.53515488 0.15375524 0.25997195
0.53647444 0.26024968 0.40651267
0.00407913 0.86188887 0.60509268
0.73766917 0.51568664 0.27977445
0.79104531 0.61587026 0.14341109
0.90934730 0.66787216 0.01194293
0.95225062 0.46076432 0.98456474
0.60708513 0.30646558 0.01675614
0.72051467 0.47084830 0.77787976
0.59932056 0.40143445 0.65949966
0.22315934 0.17175675 0.50682235
0.34797818 0.34096404 0.81354730
0.18904356 0.35668729 0.75730230
0.12389789 0.27983715 0.59474387
0.05916317 0.58406581 0.26182556
0.79948699 0.90037320 0.72998489
0.65360277 0.79269128 0.84393458
0.54239874 0.80567605 0.67515706
0.69612977 0.86925184 0.56349906
0.94158787 0.64103475 0.69422699
0.68727257 0.53044148 0.55064971
0.74075294 0.36086165 0.57370110
1.01114068 0.19417576 0.97113574
0.71456161 0.24192024 0.77725922
0.71522460 0.16206431 0.94104923
0.86122062 0.14629346 0.04428644
0.62083666 0.08985534 0.74646453
0.43607752 0.36522312 1.00493774
0.40381568 0.44696722 0.10100635
0.52126118 0.59338566 0.15470240
0.66070979 0.54787010 0.03151051
0.49444005 0.51064917 0.69848019
0.45453568 0.77326677 0.86011420
0.39104926 0.84470669 0.69944553
0.16063354 0.75307528 0.26479148
0.22051586 0.66095531 0.61808287
0.06616984 0.62495284 0.53349059
0.03238428 0.68172890 0.36288656
0.64244877 0.35336717 0.26978814
0.15681608 0.40687792 0.24200309
0.35842427 0.38823614 0.24450392
0.33909603 0.27866659 0.08306208
0.13326143 0.27773974 0.09287401
0.24781049 0.66481491 0.09308283
0.26904516 0.47879678 0.84103539
0.26371686 0.62114784 0.73526903
0.18094194 0.10175932 0.68746142
0.35594457 0.87768943 0.90507657
0.36208723 0.05202283 0.94535558
0.26362512 0.16447130 0.84323132
0.27867409 0.12257476 0.32555084
0.09680262 0.12698125 0.10799092
0.91551623 0.85254044 0.01980817
0.94839012 0.03782836 0.57981271
0.03577026 0.79236919 0.78476482
0.77636085 0.98744396 0.39811382
0.72374907 0.34866399 0.11973310
0.77538647 0.57795268 0.90167512
0.88503109 0.56410051 0.32007441
0.08655864 0.59076212 0.07162546
0.47596928 0.28150875 0.69220093
0.85796872 0.72304945 0.79922779
0.64435753 0.67680660 0.53323902
0.68440126 0.98005330 0.91395588
0.57222486 0.98926172 0.58731908
0.86750828 0.30712809 0.68896352
0.45283563 0.43569016 0.81452060
0.55112238 0.70477755 0.99838584
0.48083139 0.27547131 0.19825270
0.68721612 0.54474063 0.23818230
0.35954243 0.75698440 0.53305729
0.27424781 0.56247257 0.19642519
0.18558731 0.36533761 0.92499220
0.27648088 0.30489817 0.40044232
0.29318318 0.09611249 0.13401648
0.23317075 0.79145709 0.77322394
0.00738682 0.98064423 0.09202672
0.97149075 0.89111655 0.66175256
0.75105079 0.41898163 0.96414418
0.00340326 0.58973167 0.21219393
0.77233005 0.68585112 0.64846231
0.61953431 0.00869202 0.75464963
0.50565696 0.58570319 0.87892386
0.59676782 0.39887567 0.23536598
0.24290891 0.48166474 0.04264735
0.27593233 0.18143704 0.28001317
0.80008516 0.22724059 0.30517283
0.95040708 0.24312920 0.31345467
0.88134434 0.18534260 0.44050734
0.77924826 0.99445097 0.58353741
0.62198217 0.18174816 0.71128390
0.77602646 0.13812225 0.64516653
0.38995628 0.32349259 0.96757647
0.47568388 0.12411710 0.82699486
0.52375993 0.14951362 0.98199583
0.38545522 0.13959912 0.44624166
0.37702913 0.04547294 0.57584549
0.49104599 0.15269295 0.56873038
0.85404838 0.44752096 0.84296213
0.07392750 0.55490287 0.72004193
0.02896864 0.46752407 0.84013329
1.00943817 0.18582615 0.69041663
0.10173827 0.21000832 0.82337725
0.04892467 0.33267865 0.73430579
0.33798338 0.47949072 0.55325969
0.48499619 0.48880445 0.52394099
0.38774652 0.58001253 0.44119815
0.35279862 0.89452156 0.36410606
0.31933789 0.79737853 0.23639343
0.42110494 0.75617177 0.35260354
0.30583270 0.85547219 0.06732780
0.16364512 0.80024342 0.08785183
0.19073390 0.90093946 0.97029081
0.25947667 0.91124605 0.55442813
0.13808989 -0.00160090 0.55784778
0.13025274 0.84313298 0.59438649
No title
1
14.530846 -0.304264 -0.468604
-0.305665 13.749749 -0.030390
-0.473201 -0.026899 13.474502
C H O N F
110 60 25 10 30
Direct configuration= 111
0.07377922 0.03772652 0.95312600
0.92748314 0.01591800 0.75716044
0.95035879 0.93803555 0.82469444
0.02131575 0.95076878 0.92247482
0.06508117 0.05775542 0.05530367
0.97409265 0.91856329 0.01445643
0.94960564 -0.00840148 0.65842552
0.99060793 0.86211954 0.75777912
0.96297007 0.98453148 0.18052465
0.94499736 0.07436540 0.22117897
0.88619073 0.08118571 0.29789345
0.92950281 0.89821363 0.22209693
0.86767298 0.90382676 0.29509136
0.84225617 0.99392203 0.32900965
0.70976166 0.05431229 0.39584398
0.70552614 0.11099230 0.48364091
0.64722489 0.19038700 0.48594379
0.64968721 0.06992868 0.31435679
0.58654352 0.14290368 0.32079317
0.58801748 0.20530025 0.40384905
0.87902808 0.18278398 0.33939110
0.75446866 0.08291134 0.56927078
0.84490143 0.47337608 0.09507165
0.85426324 0.57589455 0.13993299
0.91977465 0.60274847 0.05756938
0.89564949 0.50371446 0.00791732
0.76874719 0.40633635 0.06932047
0.81467851 0.50223786 0.92716528
0.91271439 0.57742385 0.23665552
0.01346964 0.59716439 0.10981792
0.67571375 0.39268790 0.90648066
0.59171449 0.34498777 0.94727768
0.54070062 0.27909656 0.86932366
0.66879024 0.41983461 0.80363389
0.60247591 0.38051660 0.73736499
0.53357605 0.31222341 0.76682281
0.38117997 0.26328044 0.68308729
0.34501490 0.20928870 0.59990724
0.25162134 0.21420545 0.57051127
0.32250254 0.30886393 0.74330660
0.23123322 0.31693550 0.70968247
0.19555352 0.27317505 0.62126622
0.51388619 0.18791824 0.89210482
0.40018683 0.13836768 0.54847032
0.75074117 0.83731559 0.72417884
0.66433493 0.84879252 0.78788430
0.60593262 0.84945578 0.68815722
0.68734705 0.82407698 0.62895032
0.80155994 0.74534746 0.73381769
0.69427576 0.72143221 0.59597612
0.65813508 0.95164255 0.83001676
0.59303384 0.95610893 0.66973826
0.80719192 0.59433517 0.63305182
0.89714784 0.57940802 0.66770009
0.92480352 0.48379794 0.68984226
0.75359518 0.51649566 0.58906273
0.78368702 0.42278378 0.60235429
0.86052553 0.40305022 0.66543724
0.86264862 0.26809646 0.78522135
0.94526398 0.24359198 0.83442338
0.94564547 0.20540578 0.93045850
0.77952406 0.23827831 0.82251350
0.77996901 0.19137151 0.91439446
0.86230187 0.17968267 0.97107656
0.00869422 0.49487050 0.74979741
0.02614023 0.24261575 0.77309640
0.55388622 0.44578934 0.96082164
0.47475920 0.43901692 0.12807372
0.54512329 0.52209867 0.13216205
0.58556795 0.53195507 0.02674021
0.49948432 0.48284616 0.88027041
0.54673299 0.62047210 0.96935471
0.50703851 0.36061266 0.18356214
0.61604290 0.48790965 0.20857279
0.47436222 0.63473300 0.79194373
0.46872639 0.58266527 0.70199135
0.42507335 0.61747384 0.61574434
0.44602424 0.73018698 0.79203746
0.40930656 0.76887277 0.70333200
0.39473347 0.71258013 0.61700400
0.27636563 0.72464649 0.48856441
0.26105067 0.74967266 0.38863044
0.17317037 0.73240851 0.34227647
0.20829680 0.67607781 0.53954164
0.12126310 0.65855159 0.49249171
0.10284481 0.68933601 0.39518766
0.40862821 0.54363065 0.53231970
0.33840221 0.79867701 0.33609879
0.21051566 0.39687826 0.19000998
0.29608963 0.34190055 0.22830093
0.28652013 0.27487956 0.13648162
0.19486078 0.32613883 0.10145432
0.24403265 0.49187383 0.14744635
0.20560651 0.38855802 0.01136591
0.28160192 0.27677603 0.31509134
0.28360356 0.17246548 0.17756030
0.25459905 0.56097068 0.97683231
0.24976903 0.65472380 0.01371816
0.24034098 0.73625925 0.95338958
0.26106925 0.54939451 0.87444630
0.25665120 0.63067192 0.81429348
0.24379825 0.72480764 0.84946000
0.25594903 0.88936943 0.78185771
0.21416748 0.95388798 0.71251884
0.21731357 0.05254856 0.73744073
0.31777249 0.92707653 0.85674003
0.32092942 0.02585812 0.87955642
0.26613493 0.08811622 0.82325618
0.22583383 0.82335783 0.01756300
0.18467692 0.92707128 0.60683061
0.12291346 0.07809002 0.91055637
0.89478004 0.08190300 0.77646640
0.89123718 0.90502691 0.86194290
0.06518535 0.89130069 0.90207788
0.97811867 0.13981569 0.19287140
0.94835067 0.82850584 0.19342507
0.83533332 0.83855136 0.32551031
0.64202393 0.22639326 0.55749655
0.65163963 0.02584560 0.24728047
0.53515204 0.15375328 0.25995206
0.53647578 0.26025672 0.40649020
0.00406766 0.86187717 0.60508298
0.73766104 0.51570008 0.27978752
0.79103919 0.61587150 0.14342497
0.90934448 0.66788124 0.01195884
0.95224160 0.46077278 0.98456427
0.60708318 0.30646927 0.01676494
0.72051214 0.47084963 0.77787832
0.59931653 0.40142678 0.65949927
0.22315915 0.17174457 0.50681703
0.34797902 0.34097615 0.81354453
0.18904597 0.35670874 0.75728074
0.12390523 0.27984584 0.59472714
0.05915759 0.58405503 0.26184045
0.79948508 0.90036902 0.72997431
0.65360349 0.79268673 0.84392520
0.54239763 0.80566501 0.67514586
0.69612522 0.86925046 0.56348743
0.94159184 0.64103960 0.69420572
0.68727109 0.53042759 0.55064870
0.74075666 0.36084801 0.57370051
1.01115597 0.19418752 0.97113913
0.71457921 0.24192634 0.77725362
0.71524003 0.16207658 0.94104631
0.86123528 0.14631010 0.04428869
0.62083136 0.08985211 0.74645928
0.43607107 0.36523359 1.00495592
0.40381312 0.44698276 0.10102035
0.52125954 0.59339890 0.15470574
0.66071222 0.54787158 0.03152055
0.49446621 0.51065844 0.69848119
0.45453092 0.77327306 0.86011395
0.39104384 0.84470358 0.69943990
0.16062697 0.75309223 0.26478857
0.22052441 0.66093198 0.61807406
0.06617283 0.62494675 0.53348427
0.03238181 0.68174678 0.36288779
0.64243958 0.35338042 0.26980841
0.15681177 0.40688131 0.24201118
0.35841704 0.38822977 0.24451446
0.33908922 0.27866554 0.08306257
0.13325455 0.27774047 0.09288047
0.24781074 0.66481398 0.09309178
0.26904336 0.47879346 0.84103977
0.26372100 0.62114498 0.73527292
0.18094991 0.10176186 0.68746939
0.35595108 0.87769097 0.90508305
0.36209203 0.05202421 0.94537074
0.26363226 0.16447272 0.84324155
0.27865335 0.12256988 0.32554991
0.09679751 0.12697124 0.10798997
0.91551510 0.85251819 0.01980976
0.94837271 0.03782078 0.57979885
0.03576908 0.79235309 0.78475766
0.77635875 0.98744767 0.39811574
0.72375691 0.34869240 0.11972282
0.77537490 0.57795984 0.90169562
0.88502675 0.56408896 0.32008494
0.08656717 0.59077367 0.07163576
0.47596739 0.28150007 0.69220226
0.85793638 0.72305055 0.79918765
0.64437467 0.67681247 0.53321942
0.68440290 0.98004753 0.91392779
0.57221083 0.98925275 0.58731464
0.86752820 0.30711881 0.68895962
0.45284169 0.43570246 0.81453046
0.55114002 0.70480294 0.99839179
0.48081905 0.27547348 0.19827284
0.68721173 0.54474870 0.23819667
0.35954556 0.75697812 0.53305064
0.27424872 0.56246396 0.19642831
0.18558233 0.36534149 0.92500759
0.27645503 0.30491082 0.40049898
0.29318565 0.09606474 0.13399229
0.23317749 0.79145863 0.77322868
0.00738242 0.98063583 0.09203620
0.97148565 0.89109800 0.66173795
0.75105103 0.41898355 0.96414558
0.00340188 0.58972065 0.21220738
0.77232912 0.68585023 0.64844796
0.61952907 0.00868390 0.75464505
0.50566698 0.58570774 0.87893095
0.59676024 0.39888410 0.23538116
0.24290272 0.48166097 0.04265245
0.27591674 0.18142843 0.28001814
0.80008586 0.22723786 0.30518143
0.95040431 0.24312655 0.31345549
0.88134891 0.18534267 0.44051105
0.77922200 0.99447721 0.58354420
0.62198393 0.18174863 0.71129206
0.77601959 0.13813489 0.64514933
0.38995538 0.32350624 0.96758427
0.47568525 0.12411068 0.82699938
0.52376165 0.14951221 0.98200610
0.38544074 0.13957977 0.44624045
0.37704898 0.04546541 0.57585739
0.49104714 0.15270272 0.56871009
0.85403987 0.44754696 0.84295313
0.07392660 0.55490917 0.72004631
0.02896565 0.46751422 0.84011595
1.00946578 0.18579978 0.69042793
0.10176218 0.21002783 0.82338757
0.04892921 0.33267111 0.73428261
0.33799069 0.47949694 0.55324693
0.48500626 0.48879307 0.52394527
0.38777454 0.58001282 0.44119176
0.35279573 0.89452538 0.36410265
0.31933039 0.79738485 0.23638496
0.42110122 0.75617441 0.35259116
0.30585415 0.85548955 0.06731637
0.16367548 0.80025261 0.08787416
0.19073059 0.90094184 0.97029333
0.25946883 0.91125132 0.55442681
0.13807527 -0.00160904 0.55786157
0.13025858 0.84312319 0.59440530
No title
1
14.531098 -0.303717 -0.468587
-0.305195 13.748736 -0.031065
-0.473257 -0.027578 13.473016
C H O N F
110 60 25 10 30
Direct configuration= 112
0.07369658 0.03766416 0.95313041
0.92742247 0.01581780 0.75710761
0.95030511 0.93789686 0.82469361
0.02128140 0.95064413 0.92244782
0.06499734 0.05759680 0.05520540
0.97405374 0.91842436 0.01446637
0.94948938 -0.00847498 0.65834632
0.99057827 0.86199376 0.75770525
0.96293665 0.98444510 0.18055179
0.94499078 0.07431150 0.22120688
0.88617745 0.08115486 0.29793564
0.92946428 0.89815298 0.22213376
0.86763616 0.90379009 0.29514074
0.84222875 0.99391402 0.32906056
0.70972120 0.05433270 0.39582356
0.70547216 0.11107811 0.48360991
0.64718904 0.19050462 0.48582887
0.64967531 0.06990957 0.31430692
0.58654102 0.14291094 0.32067938
0.58799768 0.20537829 0.40370413
0.87902864 0.18277928 0.33943562
0.75438288 0.08302021 0.56927824
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No title
1
14.531261 -0.303496 -0.468709
-0.305013 13.748197 -0.031471
-0.473407 -0.027986 13.472307
C H O N F
110 60 25 10 30
Direct configuration= 113
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0.42105793 0.75620510 0.35243059
0.30612309 0.85569358 0.06715154
0.16407383 0.80036706 0.08816929
0.19071395 0.90091176 0.97035308
0.25938800 0.91131375 0.55439776
0.13788801 -0.00171850 0.55804432
0.13034461 0.84300329 0.59465140
No title
1
14.531440 -0.303267 -0.468677
-0.304819 13.747791 -0.031787
-0.473408 -0.028303 13.471712
C H O N F
110 60 25 10 30
Direct configuration= 114
0.07361264 0.03757400 0.95307232
0.92735988 0.01571092 0.75713209
0.95029129 0.93781330 0.82462489
0.02122326 0.95055853 0.92243673
0.06497860 0.05760369 0.05528531
0.97406016 0.91832683 0.01446531
0.94939069 -0.00861119 0.65833089
0.99053107 0.86189596 0.75765267
0.96291383 0.98438710 0.18057078
0.94497401 0.07425385 0.22124500
0.88617255 0.08113790 0.29796780
0.92942150 0.89808755 0.22217519
0.86759961 0.90376270 0.29518910
0.84221025 0.99388983 0.32909932
0.70968891 0.05435561 0.39582506
0.70542000 0.11115286 0.48357066
0.64716017 0.19061128 0.48572505
0.64965949 0.06989851 0.31426114
0.58653098 0.14292142 0.32056639
0.58798675 0.20543908 0.40356185
0.87903174 0.18276471 0.33947060
0.75429371 0.08314007 0.56927493
0.84486093 0.47339326 0.09512881
0.85421287 0.57587487 0.14012689
0.91972791 0.60280694 0.05777939
0.89558628 0.50381025 0.00798416
0.76868355 0.40639389 0.06936644
0.81455380 0.50241340 0.92724695
0.91264832 0.57727043 0.23687701
0.01342234 0.59718703 0.11004777
0.67564553 0.39272239 0.90653389
0.59166238 0.34502736 0.94736951
0.54063465 0.27910615 0.86942093
0.66871411 0.41981903 0.80365299
0.60241647 0.38044506 0.73738954
0.53354043 0.31214559 0.76687619
0.38115793 0.26320621 0.68306459
0.34501547 0.20915172 0.59989789
0.25163720 0.21409234 0.57043771
0.32248877 0.30895560 0.74320339
0.23125773 0.31712113 0.70944884
0.19559874 0.27324241 0.62107054
0.51387814 0.18790411 0.89221724
0.40021442 0.13824405 0.54842697
0.75069821 0.83722636 0.72396446
0.66431196 0.84870303 0.78769608
0.60588574 0.84933223 0.68795943
0.68730848 0.82400449 0.62870139
0.80147852 0.74524678 0.73356945
0.69433187 0.72139471 0.59563426
0.65812517 0.95157877 0.82982259
0.59288288 0.95599483 0.66957222
0.80720794 0.59423713 0.63278692
0.89719250 0.57938376 0.66739885
0.92489978 0.48379058 0.68963623
0.75358875 0.51632052 0.58895367
0.78374419 0.42261938 0.60227922
0.86066623 0.40298338 0.66528798
0.86295305 0.26813640 0.78512353
0.94556385 0.24365555 0.83438356
0.94592347 0.20555713 0.93046211
0.77982383 0.23838395 0.82241774
0.78024728 0.19154634 0.91434501
0.86257093 0.17989147 0.97107553
0.00872329 0.49487881 0.74966827
0.02646480 0.24260156 0.77309099
0.55392624 0.44589262 0.96087806
0.47470644 0.43920720 0.12817489
0.54509739 0.52227560 0.13225606
0.58561769 0.53205852 0.02684406
0.49952808 0.48297041 0.88031753
0.54690961 0.62060865 0.96939789
0.50693144 0.36083469 0.18378194
0.61596809 0.48810993 0.20875789
0.47452097 0.63484826 0.79194387
0.46901662 0.58274986 0.70197872
0.42529753 0.61745970 0.61570273
0.44602950 0.73025993 0.79201628
0.40928191 0.76887422 0.70326954
0.39479802 0.71252661 0.61694202
0.27640522 0.72454504 0.48844953
0.26103181 0.74969948 0.38854060
0.17311174 0.73257354 0.34222880
0.20836997 0.67588601 0.53940005
0.12129141 0.65850336 0.49238938
0.10280488 0.68949284 0.39515520
0.40888295 0.54360020 0.53225297
0.33834236 0.79873533 0.33597859
0.21042713 0.39688100 0.19011981
0.29596002 0.34183746 0.22840237
0.28639703 0.27482807 0.13653118
0.19473170 0.32612415 0.10153885
0.24399779 0.49184905 0.14755298
0.20547701 0.38854798 0.01144721
0.28133652 0.27670233 0.31519036
0.28347237 0.17238741 0.17757790
0.25456810 0.56093149 0.97691407
0.24979365 0.65470700 0.01383027
0.24045648 0.73626097 0.95350756
0.26107013 0.54933874 0.87451532
0.25671714 0.63062744 0.81436069
0.24390829 0.72479235 0.84955444
0.25606363 0.88937947 0.78198540
0.21427199 0.95390792 0.71265478
0.21744098 0.05258962 0.73757750
0.31788483 0.92709099 0.85688647
0.32102083 0.02587807 0.87974891
0.26624872 0.08815807 0.82342287
0.22607174 0.82344833 0.01766589
0.18464847 0.92701765 0.60699271
0.12266113 0.07800631 0.91044614
0.89475326 0.08175411 0.77648217
0.89116416 0.90475013 0.86186877
0.06514139 0.89109861 0.90203289
0.97812899 0.13969097 0.19293825
0.94823904 0.82834344 0.19351361
0.83524278 0.83850362 0.32562254
0.64194290 0.22674750 0.55722514
0.65164068 0.02572095 0.24722211
0.53516189 0.15371016 0.25968324
0.53645037 0.26042936 0.40610392
0.00389008 0.86168101 0.60488933
0.73756475 0.51590525 0.28005441
0.79099995 0.61586025 0.14366478
0.90929915 0.66800187 0.01225898
0.95215368 0.46087639 0.98452507
0.60703847 0.30654289 0.01688169
0.72042512 0.47082757 0.77787634
0.59924825 0.40129919 0.65949305
0.22317488 0.17157001 0.50677179
0.34796249 0.34114613 0.81342115
0.18908440 0.35708807 0.75692867
0.12398974 0.27999473 0.59441343
0.05907976 0.58387191 0.26209900
0.79944180 0.90028108 0.72979153
0.65361148 0.79260900 0.84376336
0.54238826 0.80548364 0.67495648
0.69604671 0.86924043 0.56326532
0.94162558 0.64106162 0.69381484
0.68721279 0.53018931 0.55060898
0.74083636 0.36062908 0.57369936
1.01142385 0.19439153 0.97120219
0.71487615 0.24203102 0.77714922
0.71551156 0.16228881 0.94099442
0.86148753 0.14659368 0.04433047
0.62073846 0.08977477 0.74637856
0.43596916 0.36541764 1.00527397
0.40373365 0.44725683 0.10124583
0.52123854 0.59360934 0.15475717
0.66076659 0.54790468 0.03169881
0.49492560 0.51079771 0.69849200
0.45444830 0.77337439 0.86010285
0.39093976 0.84469350 0.69934450
0.16052087 0.75337268 0.26477234
0.22066700 0.66053651 0.61789148
0.06623004 0.62484368 0.53337858
0.03231717 0.68205627 0.36289452
0.64226746 0.35360427 0.27015696
0.15674897 0.40693908 0.24214864
0.35829936 0.38811928 0.24470527
0.33895064 0.27863489 0.08309029
0.13311672 0.27773446 0.09299510
0.24781384 0.66479621 0.09321483
0.26901458 0.47871244 0.84110067
0.26379425 0.62109438 0.73532248
0.18108174 0.10181251 0.68759783
0.35607787 0.87769908 0.90521960
0.36215196 0.05203625 0.94560361
0.26375583 0.16452783 0.84343010
0.27829698 0.12245974 0.32556116
0.09671187 0.12681707 0.10797822
0.91555266 0.85221634 0.01984813
0.94804714 0.03763452 0.57969903
0.03572252 0.79213531 0.78458065
0.77629734 0.98748407 0.39821165
0.72363252 0.34883574 0.11982260
0.77514064 0.57815032 0.90201301
0.88493407 0.56388492 0.32029994
0.08653713 0.59098244 0.07187864
0.47594276 0.28137264 0.69225233
0.85783812 0.72287578 0.79902934
0.64451119 0.67677013 0.53269394
0.68451143 0.98004749 0.91372326
0.57195371 0.98914066 0.58715388
0.86785987 0.30707206 0.68881599
0.45284032 0.43584439 0.81456612
0.55142706 0.70498638 0.99839858
0.48067066 0.27572463 0.19857551
0.68713037 0.54495043 0.23841419
0.35958730 0.75686088 0.53293977
0.27431640 0.56242991 0.19655785
0.18544150 0.36535185 0.92504461
0.27607262 0.30483263 0.40053021
0.29314349 0.09599389 0.13400877
0.23330038 0.79145362 0.77332832
0.00731561 0.98045319 0.09204774
0.97133853 0.89088875 0.66159792
0.75102145 0.41900542 0.96417445
0.00333133 0.58953034 0.21244401
0.77232464 0.68576317 0.64815490
0.61941189 0.00859385 0.75448667
0.50580356 0.58584608 0.87896349
0.59664636 0.39910679 0.23561554
0.24281033 0.48163997 0.04274377
0.27565184 0.18133956 0.28004268
0.80006465 0.22721888 0.30531883
0.95037435 0.24310892 0.31346354
0.88142653 0.18535526 0.44061630
0.77885608 0.99464174 0.58372917
0.62201654 0.18176043 0.71142057
0.77596337 0.13847297 0.64507562
0.38992797 0.32372699 0.96771066
0.47573091 0.12404811 0.82710144
0.52379137 0.14951532 0.98213755
0.38519985 0.13925291 0.44619745
0.37739257 0.04533413 0.57605443
0.49108882 0.15287620 0.56837059
0.85388914 0.44799640 0.84281568
0.07394096 0.55503145 0.72010621
0.02893968 0.46732033 0.83995196
1.00994290 0.18538915 0.69064537
0.10214944 0.21038043 0.82356336
0.04900871 0.33255465 0.73388763
0.33810337 0.47959578 0.55303544
0.48518266 0.48859481 0.52402490
0.38824753 0.58001926 0.44107782
0.35274541 0.89458370 0.36404471
0.31920932 0.79749061 0.23625216
0.42104516 0.75621440 0.35238186
0.30620535 0.85575604 0.06710208
0.16419479 0.80040198 0.08826041
0.19070874 0.90090348 0.97037107
0.25936343 0.91133318 0.55438907
0.13782979 -0.00175149 0.55810034
0.13037141 0.84296670 0.59472680
No title
1
14.531688 -0.302792 -0.468742
-0.304420 13.746751 -0.032496
-0.473539 -0.029016 13.470303
C H O N F
110 60 25 10 30
Direct configuration= 115
0.07352795 0.03750068 0.95304958
0.92729729 0.01560512 0.75712671
0.95025169 0.93769224 0.82459551
0.02118147 0.95045453 0.92241906
0.06491134 0.05749519 0.05524329
0.97403386 0.91819782 0.01447154
0.94928566 -0.00871609 0.65824844
0.99049481 0.86178205 0.75758790
0.96288456 0.98430953 0.18059169
0.94496488 0.07419995 0.22127456
0.88616188 0.08111081 0.29800661
0.92938143 0.89802553 0.22221297
0.86756269 0.90372809 0.29523816
0.84218507 0.99387576 0.32914668
0.70965107 0.05437600 0.39581431
0.70536092 0.11123998 0.48352618
0.64712682 0.19072230 0.48561183
0.64964693 0.06988123 0.31421071
0.58652653 0.14292917 0.32045314
0.58796993 0.20551164 0.40341650
0.87903322 0.18275573 0.33951224
0.75421459 0.08324768 0.56929483
0.84483517 0.47339324 0.09516422
0.85418956 0.57585979 0.14022286
0.91970361 0.60283613 0.05788826
0.89554423 0.50385695 0.00800963
0.76866617 0.40643662 0.06939118
0.81449755 0.50250784 0.92729312
0.91261287 0.57719381 0.23698270
0.01339832 0.59719924 0.11016562
0.67561336 0.39274124 0.90655922
0.59163577 0.34504868 0.94741496
0.54060315 0.27911626 0.86946915
0.66867691 0.41981078 0.80366561
0.60238532 0.38040863 0.73739838
0.53352226 0.31210539 0.76690363
0.38114650 0.26317199 0.68305817
0.34501490 0.20907942 0.59989018
0.25164567 0.21403734 0.57040520
0.32248092 0.30900058 0.74314686
0.23127328 0.31721728 0.70933511
0.19562129 0.27327275 0.62096739
0.51387222 0.18789010 0.89227691
0.40022976 0.13818056 0.54840716
0.75067573 0.83718327 0.72385399
0.66430017 0.84865719 0.78759968
0.60586298 0.84926951 0.68785883
0.68728987 0.82397165 0.62857519
0.80146664 0.74518052 0.73347427
0.69433794 0.72135120 0.59542929
0.65812335 0.95155095 0.82973351
0.59280591 0.95593836 0.66948387
0.80722053 0.59418556 0.63265406
0.89721163 0.57937001 0.66724535
0.92494615 0.48378780 0.68953215
0.75358440 0.51622993 0.58889761
0.78377385 0.42253740 0.60224245
0.86073862 0.40295283 0.66521177
0.86311073 0.26815629 0.78507482
0.94571254 0.24368884 0.83435993
0.94606637 0.20563280 0.93046653
0.77997126 0.23843692 0.82236952
0.78039175 0.19163524 0.91432213
0.86270309 0.17999636 0.97107396
0.00873679 0.49487845 0.74960405
0.02662871 0.24259442 0.77308746
0.55394672 0.44594637 0.96090467
0.47467773 0.43930450 0.12822525
0.54508309 0.52236289 0.13230374
0.58564233 0.53210909 0.02689403
0.49955250 0.48303237 0.88034296
0.54699872 0.62070116 0.96942477
0.50687688 0.36094365 0.18389386
0.61593019 0.48820825 0.20885233
0.47460076 0.63490858 0.79194353
0.46916355 0.58279129 0.70197141
0.42541051 0.61745334 0.61568159
0.44603217 0.73029637 0.79200366
0.40927003 0.76887635 0.70323949
0.39483064 0.71249825 0.61690917
0.27642472 0.72449330 0.48839352
0.26102164 0.74971448 0.38849346
0.17308298 0.73265742 0.34220742
0.20840683 0.67579042 0.53932619
0.12130732 0.65847893 0.49233961
0.10278429 0.68957302 0.39513749
0.40901310 0.54358530 0.53221911
0.33831279 0.79876554 0.33591821
0.21038179 0.39688212 0.19017556
0.29589375 0.34180532 0.22845420
0.28633404 0.27480355 0.13655759
0.19466503 0.32611568 0.10158171
0.24398351 0.49184607 0.14761205
0.20541062 0.38854245 0.01147616
0.28120241 0.27666222 0.31522521
0.28340831 0.17232801 0.17757718
0.25455285 0.56091438 0.97695797
0.24980672 0.65469778 0.01388625
0.24051543 0.73626388 0.95356902
0.26107119 0.54930981 0.87454946
0.25675072 0.63060677 0.81439498
0.24396446 0.72478359 0.84960329
0.25612096 0.88938502 0.78204963
0.21432445 0.95391658 0.71272356
0.21750456 0.05261136 0.73764569
0.31794293 0.92709638 0.85696181
0.32106548 0.02589004 0.87984398
0.26630818 0.08817944 0.82350944
0.22619392 0.82349207 0.01771826
0.18463446 0.92699091 0.60707546
0.12253118 0.07796191 0.91039109
0.89473449 0.08168613 0.77649299
0.89113221 0.90461338 0.86182945
0.06511833 0.89099742 0.90200961
0.97813242 0.13962536 0.19297300
0.94818189 0.82826162 0.19355768
0.83519681 0.83847943 0.32567913
0.64190146 0.22692796 0.55708871
0.65164153 0.02565767 0.24719281
0.53516550 0.15368849 0.25954428
0.53643801 0.26051539 0.40590754
0.00380012 0.86158257 0.60479175
0.73751483 0.51601030 0.28018846
0.79097813 0.61585547 0.14378605
0.90927624 0.66806430 0.01241009
0.95211054 0.46092877 0.98450481
0.60701603 0.30658002 0.01694178
0.72038148 0.47081641 0.77787461
0.59921420 0.40123371 0.65949126
0.22318268 0.17147978 0.50674891
0.34795508 0.34123407 0.81335953
0.18910448 0.35727992 0.75674952
0.12403332 0.28006933 0.59425578
0.05904019 0.58377895 0.26222990
0.79942014 0.90023508 0.72969833
0.65361571 0.79256956 0.84368055
0.54238371 0.80539151 0.67485942
0.69600809 0.86923501 0.56315231
0.94164257 0.64107301 0.69361717
0.68718423 0.53006869 0.55058926
0.74087703 0.36051820 0.57369900
1.01155816 0.19449481 0.97123321
0.71502694 0.24208425 0.77709818
0.71564858 0.16239596 0.94096902
0.86161546 0.14673725 0.04435214
0.62069127 0.08973581 0.74633718
0.43591740 0.36551136 1.00543577
0.40369563 0.44739529 0.10136129
0.52122746 0.59371632 0.15478277
0.66079472 0.54792205 0.03178860
0.49515757 0.51086914 0.69849752
0.45440687 0.77342599 0.86009704
0.39088743 0.84468742 0.69929561
0.16046707 0.75351598 0.26476439
0.22073940 0.66033599 0.61779976
0.06625905 0.62479144 0.53332511
0.03228513 0.68221298 0.36289873
0.64218221 0.35371663 0.27033483
0.15671597 0.40696793 0.24221770
0.35823879 0.38806319 0.24480171
0.33888113 0.27861954 0.08310408
0.13304810 0.27773300 0.09305168
0.24781596 0.66478781 0.09327876
0.26900003 0.47867305 0.84113248
0.26383099 0.62106976 0.73534844
0.18114848 0.10183796 0.68766344
0.35614195 0.87770426 0.90528757
0.36218313 0.05204269 0.94572177
0.26381824 0.16455557 0.84352532
0.27811668 0.12240304 0.32556623
0.09668005 0.12676507 0.10799126
0.91558035 0.85207213 0.01986596
0.94788177 0.03753220 0.57966684
0.03569667 0.79202592 0.78449056
0.77626742 0.98750176 0.39825958
0.72356660 0.34890501 0.11987338
0.77502186 0.57824321 0.90217363
0.88488576 0.56378119 0.32041357
0.08652302 0.59108680 0.07200219
0.47593196 0.28130843 0.69227781
0.85776241 0.72279660 0.79892014
0.64460094 0.67676711 0.53245420
0.68456284 0.98004352 0.91360991
0.57182402 0.98908313 0.58707352
0.86802604 0.30704555 0.68874464
0.45283983 0.43591590 0.81458291
0.55157027 0.70505789 0.99839553
0.48059775 0.27585574 0.19872877
0.68709037 0.54505311 0.23852490
0.35960868 0.75680193 0.53288392
0.27434665 0.56240537 0.19661946
0.18537382 0.36536065 0.92507392
0.27587774 0.30479625 0.40056073
0.29311859 0.09597689 0.13402684
0.23336266 0.79145264 0.77337928
0.00728156 0.98036361 0.09205892
0.97126341 0.89078623 0.66152803
0.75100041 0.41901360 0.96418428
0.00329613 0.58943334 0.21256482
0.77231983 0.68572412 0.64800861
0.61935258 0.00854597 0.75440625
0.50587408 0.58591490 0.87898284
0.59658666 0.39922518 0.23573063
0.24276326 0.48162751 0.04279122
0.27551797 0.18129450 0.28005391
0.80005472 0.22720902 0.30538695
0.95035916 0.24309928 0.31346736
0.88146510 0.18536112 0.44066905
0.77866721 0.99473917 0.58382138
0.62203410 0.18176609 0.71148637
0.77593451 0.13864045 0.64503056
0.38991487 0.32383867 0.96777520
0.47575514 0.12401876 0.82715535
0.52380653 0.14951934 0.98220350
0.38507672 0.13908468 0.44617706
0.37756847 0.04526804 0.57615776
0.49110881 0.15296361 0.56819827
0.85381275 0.44822408 0.84274635
0.07395054 0.55509848 0.72013655
0.02892672 0.46721913 0.83986944
1.01017964 0.18518198 0.69075531
0.10234551 0.21055489 0.82365118
0.04904892 0.33249226 0.73368999
0.33816150 0.47964651 0.55292782
0.48527303 0.48849473 0.52406548
0.38848772 0.58002261 0.44101934
0.35272008 0.89461369 0.36401603
0.31914846 0.79754488 0.23618525
0.42101636 0.75623535 0.35227674
0.30638271 0.85589069 0.06699629
0.16445517 0.80047785 0.08845549
0.19069719 0.90088602 0.97040991
0.25930998 0.91137513 0.55437092
0.13770569 -0.00182408 0.55822231
0.13042909 0.84288777 0.59488935
No title
1
14.531902 -0.302439 -0.468755
-0.304118 13.746126 -0.032957
-0.473598 -0.029480 13.469366
C H O N F
110 60 25 10 30
Direct configuration= 116
0.07346505 0.03744897 0.95304051
0.92725661 0.01552951 0.75707932
0.95021652 0.93759761 0.82459023
0.02115294 0.95036325 0.92239892
0.06487021 0.05743639 0.05523009
0.97402470 0.91811851 0.01447503
0.94920261 -0.00877881 0.65822781
0.99046237 0.86171353 0.75752767
0.96285888 0.98425566 0.18061533
0.94495821 0.07415526 0.22129437
0.88615308 0.08108887 0.29803550
0.92935682 0.89798307 0.22223421
0.86753334 0.90370291 0.29527653
0.84216847 0.99386840 0.32917968
0.70961600 0.05439240 0.39578974
0.70534693 0.11128669 0.48354172
0.64709575 0.19080914 0.48552938
0.64964139 0.06986947 0.31418394
0.58652241 0.14293303 0.32036688
0.58795690 0.20556477 0.40331288
0.87903349 0.18275090 0.33954060
0.75412382 0.08334466 0.56924201
0.84482661 0.47340349 0.09518738
0.85417051 0.57585147 0.14029398
0.91968430 0.60285366 0.05796456
0.89552579 0.50388937 0.00803292
0.76863744 0.40645401 0.06940437
0.81445276 0.50256965 0.92732118
0.91258781 0.57713732 0.23706522
0.01337768 0.59720718 0.11025141
0.67558521 0.39275120 0.90657731
0.59161700 0.34506452 0.94744907
0.54058120 0.27912440 0.86950454
0.66865853 0.41981219 0.80367410
0.60235613 0.38037567 0.73740476
0.53351048 0.31208017 0.76692072
0.38113677 0.26314995 0.68305739
0.34501519 0.20902661 0.59988457
0.25164952 0.21399941 0.57038368
0.32247800 0.30903017 0.74310165
0.23128337 0.31728870 0.70925643
0.19563916 0.27329188 0.62089055
0.51386815 0.18788043 0.89232077
0.40024001 0.13813542 0.54839279
0.75066043 0.83714646 0.72377586
0.66429280 0.84862537 0.78753041
0.60584675 0.84922483 0.68778549
0.68727718 0.82394568 0.62848306
0.80142270 0.74515025 0.73336872
0.69436237 0.72133935 0.59530905
0.65811867 0.95152542 0.82965964
0.59275115 0.95589487 0.66942302
0.80721838 0.59414360 0.63255258
0.89723236 0.57936451 0.66713740
0.92498055 0.48378082 0.68945912
0.75358517 0.51617696 0.58886115
0.78379218 0.42246803 0.60221351
0.86079245 0.40293547 0.66515791
0.86323351 0.26817018 0.78504183
0.94581192 0.24371448 0.83434028
0.94617402 0.20568685 0.93046998
0.78006995 0.23847469 0.82233284
0.78050034 0.19169755 0.91431105
0.86279024 0.18007133 0.97107056
0.00874777 0.49488357 0.74955040
0.02674501 0.24258795 0.77308590
0.55396313 0.44598067 0.96092583
0.47466006 0.43937369 0.12826265
0.54507345 0.52242692 0.13233697
0.58566127 0.53214825 0.02693146
0.49956700 0.48307963 0.88035624
0.54706183 0.62074067 0.96943712
0.50683755 0.36102290 0.18397308
0.61590207 0.48828486 0.20891656
0.47465930 0.63495005 0.79194652
0.46926853 0.58282153 0.70196457
0.42549257 0.61744864 0.61566709
0.44603405 0.73032280 0.79199325
0.40926158 0.76887856 0.70321849
0.39485366 0.71247807 0.61688486
0.27643747 0.72445520 0.48835591
0.26101427 0.74972620 0.38845844
0.17306221 0.73271758 0.34219414
0.20843402 0.67572307 0.53927078
0.12131857 0.65846068 0.49230629
0.10276991 0.68963190 0.39512286
0.40910576 0.54357520 0.53219391
0.33829212 0.79878667 0.33587651
0.21034968 0.39688309 0.19021447
0.29584548 0.34178187 0.22849376
0.28628829 0.27478424 0.13657635
0.19461840 0.32611111 0.10161131
0.24396912 0.49183523 0.14765033
0.20536530 0.38854018 0.01150963
0.28110771 0.27662278 0.31521935
0.28335818 0.17232223 0.17759733
0.25454202 0.56090501 0.97699228
0.24981667 0.65468903 0.01392632
0.24055805 0.73626750 0.95361384
0.26107254 0.54928673 0.87457269
0.25677453 0.63059566 0.81442135
0.24400518 0.72477535 0.84963662
0.25616015 0.88939099 0.78209219
0.21436310 0.95392229 0.71277620
0.21754842 0.05262651 0.73769159
0.31798654 0.92710125 0.85701779
0.32109587 0.02589923 0.87990984
0.26635296 0.08819347 0.82357440
0.22627948 0.82352270 0.01775701
0.18462622 0.92697278 0.60713381
0.12244272 0.07793402 0.91034661
0.89472171 0.08163373 0.77650267
0.89111536 0.90451730 0.86179948
0.06509700 0.89093243 0.90199463
0.97813613 0.13958112 0.19299672
0.94814034 0.82820341 0.19358950
0.83516429 0.83846215 0.32571916
0.64187256 0.22705479 0.55698755
0.65164215 0.02561114 0.24716996
0.53517007 0.15367288 0.25944620
0.53642987 0.26057572 0.40576642
0.00374002 0.86150825 0.60471496
0.73747765 0.51608706 0.28028264
0.79096433 0.61584988 0.14387225
0.90925994 0.66810916 0.01251887
0.95207494 0.46096949 0.98449174
0.60699986 0.30660800 0.01698329
0.72034825 0.47080615 0.77787451
0.59919047 0.40118725 0.65948847
0.22318856 0.17141463 0.50673332
0.34795067 0.34129875 0.81331714
0.18911979 0.35741661 0.75662035
0.12406448 0.28012217 0.59414359
0.05901332 0.58371211 0.26232541
0.79940642 0.90020380 0.72963146
0.65361876 0.79254094 0.84362076
0.54238120 0.80532580 0.67478941
0.69598114 0.86923085 0.56307119
0.94165357 0.64107865 0.69347495
0.68716396 0.52998139 0.55057474
0.74090867 0.36044200 0.57370031
1.01165233 0.19456883 0.97125462
0.71513613 0.24212268 0.77706374
0.71574549 0.16247235 0.94095150
0.86170722 0.14683974 0.04436853
0.62065716 0.08970670 0.74630747
0.43588024 0.36557865 1.00555187
0.40366551 0.44749454 0.10144321
0.52121979 0.59379160 0.15480058
0.66081396 0.54793434 0.03185225
0.49532347 0.51092030 0.69850156
0.45437750 0.77346317 0.86009283
0.39085024 0.84468277 0.69926037
0.16042862 0.75361922 0.26475923
0.22079125 0.66019238 0.61773488
0.06628022 0.62475415 0.53328657
0.03226265 0.68232485 0.36290239
0.64211887 0.35379961 0.27046022
0.15669161 0.40698833 0.24226675
0.35819540 0.38802332 0.24487064
0.33883181 0.27860923 0.08311404
0.13299824 0.27773169 0.09309133
0.24781775 0.66478236 0.09332504
0.26898967 0.47864665 0.84115620
0.26385724 0.62105254 0.73536681
0.18119651 0.10185596 0.68771104
0.35618787 0.87770831 0.90533561
0.36220599 0.05204760 0.94580639
0.26386294 0.16457602 0.84359343
0.27798769 0.12236251 0.32556935
0.09664928 0.12671112 0.10798655
0.91559126 0.85195769 0.01987872
0.94776305 0.03745907 0.57963911
0.03568118 0.79193958 0.78442895
0.77624826 0.98751120 0.39829640
0.72352064 0.34895582 0.11991019
0.77493398 0.57831799 0.90228806
0.88485236 0.56370761 0.32048858
0.08651662 0.59116172 0.07208998
0.47592549 0.28126206 0.69229685
0.85773756 0.72272664 0.79887633
0.64464890 0.67674908 0.53226056
0.68460268 0.98004401 0.91353714
0.57173107 0.98904262 0.58701500
0.86814377 0.30702488 0.68869526
0.45284145 0.43596744 0.81459596
0.55167408 0.70513325 0.99840132
0.48054483 0.27594815 0.19883981
0.68706371 0.54512547 0.23860614
0.35962512 0.75675991 0.53284414
0.27437054 0.56239523 0.19666856
0.18532361 0.36536489 0.92508457
0.27573589 0.30477735 0.40060722
0.29310436 0.09593288 0.13402101
0.23340648 0.79145049 0.77341660
0.00725873 0.98029835 0.09206174
0.97120825 0.89070982 0.66148831
0.75099575 0.41902337 0.96419787
0.00326717 0.58936413 0.21264802
0.77231878 0.68569290 0.64790284
0.61931020 0.00851493 0.75434840
0.50592271 0.58596532 0.87899213
0.59654574 0.39930131 0.23581806
0.24273063 0.48162068 0.04282351
0.27542160 0.18126268 0.28006437
0.80004873 0.22720094 0.30543550
0.95034849 0.24309173 0.31347084
0.88149240 0.18536520 0.44070610
0.77853873 0.99478739 0.58389554
0.62204788 0.18176905 0.71153338
0.77592144 0.13877490 0.64501944
0.38990568 0.32391840 0.96782135
0.47577233 0.12399685 0.82719365
0.52381699 0.14952318 0.98225050
0.38498881 0.13896252 0.44616517
0.37769473 0.04522140 0.57623297
0.49112343 0.15302577 0.56807520
0.85376011 0.44838706 0.84269520
0.07395356 0.55514426 0.72016089
0.02891916 0.46714245 0.83981599
1.01034769 0.18503234 0.69083310
0.10248504 0.21067782 0.82371161
0.04907829 0.33244694 0.73354929
0.33820350 0.47968233 0.55285049
0.48533776 0.48842427 0.52409509
0.38866053 0.58002453 0.44097859
0.35270203 0.89463580 0.36399568
0.31910514 0.79758407 0.23613802
0.42099602 0.75625035 0.35220209
0.30650823 0.85598718 0.06692092
0.16464187 0.80053324 0.08859427
0.19068943 0.90087394 0.97043835
0.25927129 0.91140589 0.55435862
0.13761589 -0.00187609 0.55831053
0.13046967 0.84283091 0.59500609
No title
1
14.532127 -0.302030 -0.468796
-0.303773 13.745262 -0.033571
-0.473696 -0.030097 13.468168
C H O N F
110 60 25 10 30
Direct configuration= 117
0.07340009 0.03738327 0.95299725
0.92720360 0.01544860 0.75706546
0.95018919 0.93751174 0.82455386
0.02110899 0.95027542 0.92238320
0.06483624 0.05740707 0.05526692
0.97401327 0.91802103 0.01447576
0.94911152 -0.00886997 0.65821882
0.99043484 0.86161391 0.75748286
0.96283949 0.98420049 0.18062786
0.94494492 0.07410987 0.22132539
0.88614888 0.08107103 0.29806210
0.92931717 0.89792647 0.22227225
0.86750816 0.90368005 0.29531113
0.84214871 0.99384920 0.32921713
0.70959489 0.05440720 0.39579883
0.70528056 0.11136417 0.48347416
0.64707292 0.19089755 0.48544086
0.64962579 0.06985509 0.31413417
0.58651774 0.14294175 0.32027565
0.58794571 0.20561770 0.40319074
0.87903531 0.18274170 0.33957300
0.75407609 0.08343070 0.56929238
0.84481221 0.47341315 0.09520945
0.85414988 0.57584216 0.14037392
0.91966488 0.60287680 0.05805054
0.89550201 0.50393036 0.00806187
0.76860116 0.40646617 0.06942765
0.81439730 0.50264679 0.92735027
0.91255936 0.57707388 0.23715532
0.01335743 0.59721584 0.11034579
0.67556076 0.39276784 0.90659924
0.59159501 0.34508135 0.94748528
0.54055112 0.27911813 0.86954715
0.66861701 0.41979730 0.80367703
0.60234150 0.38035232 0.73742029
0.53349582 0.31204730 0.76694514
0.38113161 0.26311505 0.68304211
0.34501578 0.20897272 0.59988581
0.25165912 0.21394810 0.57035156
0.32247082 0.30907344 0.74306614
0.23129464 0.31736123 0.70915430
0.19565691 0.27332354 0.62081703
0.51386889 0.18788948 0.89236371
0.40025160 0.13808327 0.54837779
0.75064298 0.83711228 0.72368539
0.66428348 0.84858754 0.78745169
0.60582895 0.84917376 0.68770282
0.68726224 0.82391687 0.62837957
0.80142102 0.74509109 0.73330005
0.69437100 0.72131043 0.59514829
0.65811660 0.95150260 0.82958484
0.59268799 0.95585099 0.66934734
0.80723236 0.59410672 0.63244855
0.89724546 0.57934992 0.66701144
0.92501961 0.48378280 0.68937449
0.75358048 0.51609481 0.58881397
0.78381946 0.42241039 0.60218561
0.86084730 0.40290237 0.66509571
0.86334443 0.26818656 0.78500042
0.94594300 0.24373670 0.83433010
0.94627803 0.20574821 0.93046826
0.78020327 0.23851840 0.82229930
0.78060328 0.19177037 0.91428576
0.86291200 0.18015566 0.97107411
0.00876402 0.49488325 0.74950536
0.02687591 0.24258020 0.77308265
0.55398178 0.44602301 0.96095071
0.47463727 0.43945046 0.12830308
0.54506314 0.52249936 0.13237434
0.58568164 0.53219116 0.02697325
0.49958050 0.48312837 0.88036681
0.54713427 0.62080784 0.96945764
0.50679586 0.36112104 0.18406149
0.61587478 0.48837063 0.20899340
0.47472407 0.63499737 0.79194254
0.46938789 0.58285778 0.70196189
0.42558449 0.61744347 0.61564876
0.44603740 0.73035328 0.79198596
0.40925130 0.76887788 0.70318980
0.39488108 0.71245710 0.61686118
0.27645532 0.72441671 0.48830457
0.26100718 0.74973790 0.38842589
0.17303904 0.73278804 0.34217357
0.20846338 0.67564345 0.53921695
0.12132990 0.65844247 0.49226061
0.10275383 0.68969564 0.39511462
0.40921180 0.54356350 0.53216670
0.33826812 0.79881168 0.33582764
0.21031193 0.39688353 0.19025928
0.29579171 0.34175673 0.22853428
0.28623760 0.27476456 0.13659649
0.19456558 0.32610591 0.10164613
0.24395810 0.49183497 0.14770019
0.20531100 0.38853464 0.01153017
0.28099557 0.27659975 0.31528501
0.28330522 0.17227234 0.17759294
0.25453045 0.56088713 0.97702253
0.24982747 0.65468746 0.01397538
0.24060696 0.73626711 0.95366256
0.26107313 0.54927001 0.87460485
0.25680259 0.63057412 0.81444950
0.24405040 0.72477339 0.84967919
0.25621052 0.88939434 0.78215027
0.21440377 0.95393295 0.71282951
0.21760323 0.05264262 0.73775230
0.31802990 0.92710838 0.85707373
0.32113701 0.02590517 0.87999232
0.26639584 0.08821233 0.82363775
0.22637659 0.82356135 0.01780075
0.18461533 0.92695065 0.60720213
0.12233807 0.07790036 0.91030096
0.89471251 0.08156379 0.77650752
0.89108394 0.90440159 0.86177117
0.06508148 0.89084930 0.90197480
0.97814053 0.13952916 0.19302310
0.94809384 0.82813749 0.19362433
0.83512612 0.83844029 0.32576565
0.64183808 0.22720068 0.55687407
0.65164336 0.02556093 0.24714861
0.53517472 0.15365444 0.25933348
0.53641811 0.26064643 0.40560628
0.00366496 0.86143053 0.60464181
0.73743910 0.51617137 0.28039278
0.79094720 0.61584364 0.14397014
0.90924139 0.66815842 0.01264307
0.95203882 0.46101276 0.98447439
0.60698196 0.30663927 0.01703150
0.72031657 0.47079996 0.77787167
0.59916299 0.40113395 0.65948520
0.22319592 0.17134227 0.50671836
0.34794410 0.34136946 0.81326287
0.18913533 0.35757358 0.75647660
0.12409996 0.28018128 0.59401603
0.05897920 0.58363683 0.26243044
0.79938974 0.90016591 0.72955533
0.65362236 0.79250903 0.84355228
0.54237846 0.80525116 0.67470978
0.69595124 0.86922689 0.56297874
0.94166826 0.64108905 0.69331528
0.68714154 0.52988338 0.55055916
0.74094042 0.36034937 0.57369948
1.01176495 0.19465207 0.97128246
0.71525407 0.24216631 0.77702112
0.71585907 0.16256009 0.94093136
0.86181024 0.14695644 0.04438529
0.62061896 0.08967507 0.74627314
0.43583750 0.36565460 1.00568318
0.40363303 0.44760705 0.10153692
0.52121075 0.59387740 0.15482063
0.66083645 0.54794878 0.03192424
0.49551156 0.51097781 0.69850581
0.45434414 0.77350437 0.86008630
0.39080794 0.84467857 0.69922052
0.16038536 0.75373608 0.26475553
0.22084970 0.66003033 0.61765776
0.06630378 0.62471135 0.53324380
0.03223645 0.68245178 0.36290600
0.64204807 0.35389346 0.27060298
0.15666412 0.40701115 0.24232193
0.35814552 0.38797787 0.24494915
0.33877500 0.27859720 0.08312611
0.13294165 0.27772974 0.09313585
0.24781994 0.66477574 0.09337616
0.26897828 0.47861364 0.84118170
0.26388672 0.62103399 0.73538920
0.18124974 0.10187780 0.68776331
0.35624150 0.87771144 0.90539189
0.36223030 0.05205254 0.94589991
0.26391400 0.16459835 0.84367089
0.27784127 0.12231721 0.32557300
0.09660049 0.12662091 0.10795511
0.91560514 0.85183139 0.01989437
0.94763047 0.03739156 0.57958223
0.03565597 0.79185563 0.78435200
0.77621998 0.98752918 0.39833443
0.72347530 0.34902083 0.11994378
0.77483954 0.57839300 0.90242092
0.88481319 0.56362369 0.32057752
0.08650463 0.59124656 0.07219193
0.47591378 0.28120819 0.69231720
0.85766805 0.72266416 0.79877887
0.64471793 0.67674202 0.53206160
0.68464449 0.98004053 0.91344559
0.57162701 0.98899388 0.58695465
0.86827831 0.30700842 0.68863723
0.45284588 0.43602960 0.81461490
0.55179000 0.70519827 0.99840093
0.48048280 0.27604573 0.19896641
0.68702572 0.54520791 0.23869184
0.35964200 0.75671148 0.53279875
0.27439260 0.56237310 0.19671738
0.18527047 0.36537358 0.92511145
0.27557951 0.30473645 0.40059875
0.29308391 0.09592054 0.13403633
0.23345612 0.79144906 0.77345789
0.00722946 0.98022364 0.09206595
0.97115249 0.89061953 0.66141784
0.75098401 0.41903303 0.96420969
0.00324052 0.58928534 0.21274695
0.77231511 0.68565893 0.64778260
0.61926169 0.00847423 0.75428283
0.50597967 0.58602094 0.87900685
0.59649833 0.39939128 0.23591524
0.24269336 0.48161293 0.04286371
0.27531303 0.18122679 0.28007375
0.80004084 0.22719270 0.30548964
0.95033647 0.24308280 0.31347439
0.88152292 0.18537011 0.44074797
0.77838414 0.99486883 0.58396904
0.62206261 0.18177237 0.71158672
0.77589438 0.13890574 0.64496808
0.38989606 0.32400918 0.96787450
0.47579078 0.12396985 0.82723577
0.52382887 0.14952461 0.98230912
0.38488933 0.13882332 0.44615084
0.37783783 0.04516804 0.57631901
0.49113980 0.15309613 0.56793594
0.85369959 0.44857357 0.84263962
0.07395756 0.55519749 0.72018846
0.02890791 0.46705932 0.83974228
1.01053832 0.18486408 0.69092152
0.10264166 0.21081656 0.82377926
0.04911217 0.33239455 0.73339004
0.33825149 0.47972333 0.55276285
0.48541133 0.48834465 0.52412869
0.38885544 0.58002746 0.44093156
0.35268172 0.89466044 0.36397280
0.31905641 0.79762883 0.23608536
0.42097313 0.75626755 0.35211823
0.30664984 0.85609575 0.06683551
0.16485312 0.80059565 0.08875139
0.19068131 0.90085865 0.97047148
0.25922801 0.91144112 0.55434447
0.13751454 -0.00193459 0.55841046
0.13051583 0.84276744 0.59513789
No title
1
14.532340 -0.301655 -0.468815
-0.303450 13.744609 -0.033990
-0.473759 -0.030521 13.467269
C H O N F
110 60 25 10 30
Direct configuration= 118
0.07334079 0.03733146 0.95298728
0.92715747 0.01537576 0.75707784
0.95016290 0.93743543 0.82452228
0.02107426 0.95021015 0.92236973
0.06476961 0.05728443 0.05519278
0.97399050 0.91792375 0.01447833
0.94903865 -0.00893275 0.65813860
0.99040503 0.86153670 0.75743573
0.96281940 0.98413983 0.18063975
0.94494040 0.07407782 0.22134442
0.88613940 0.08105163 0.29809126
0.92928899 0.89788522 0.22229781
0.86748134 0.90365223 0.29534624
0.84213132 0.99384139 0.32925058
0.70956835 0.05442227 0.39579247
0.70523176 0.11142885 0.48343437
0.64705109 0.19097178 0.48535779
0.64961701 0.06984371 0.31410131
0.58651533 0.14294584 0.32019498
0.58793432 0.20566704 0.40308913
0.87903693 0.18273358 0.33960184
0.75403043 0.08349790 0.56931668
0.84478936 0.47341283 0.09522661
0.85413506 0.57583412 0.14044122
0.91965050 0.60289956 0.05812694
0.89547667 0.50396629 0.00808391
0.76859420 0.40650017 0.06943892
0.81435514 0.50271067 0.92738175
0.91253600 0.57702038 0.23722712
0.01333941 0.59722374 0.11042809
0.67553919 0.39278342 0.90661617
0.59157703 0.34509493 0.94751647
0.54053130 0.27913229 0.86957893
0.66859426 0.41979189 0.80369021
0.60231822 0.38032623 0.73742076
0.53348323 0.31201753 0.76696506
0.38112354 0.26309433 0.68304241
0.34501395 0.20892007 0.59987830
0.25166624 0.21391205 0.57033399
0.32246538 0.30910331 0.74302233
0.23130756 0.31742992 0.70907970
0.19567272 0.27334151 0.62074101
0.51386265 0.18787236 0.89240723
0.40026270 0.13803848 0.54836666
0.75062948 0.83708195 0.72360855
0.66427569 0.84855558 0.78738283
0.60581368 0.84913003 0.68763139
0.68725032 0.82389230 0.62829090
0.80139257 0.74505396 0.73321248
0.69438494 0.72128990 0.59501870
0.65811480 0.95148263 0.82952092
0.59263684 0.95580772 0.66929324
0.80724200 0.59407455 0.63235819
0.89725865 0.57933840 0.66690451
0.92505082 0.48378040 0.68930130
0.75357712 0.51602828 0.58877420
0.78384086 0.42235478 0.60215987
0.86089761 0.40288015 0.66504394
0.86345629 0.26820007 0.78496800
0.94604426 0.24376021 0.83431120
0.94637899 0.20579854 0.93047386
0.78030249 0.23855539 0.82226624
0.78070625 0.19183150 0.91427258
0.86299997 0.18022807 0.97107173
0.00877463 0.49488203 0.74946594
0.02698851 0.24257195 0.77307828
0.55399570 0.44606242 0.96096694
0.47461642 0.43951899 0.12833527
0.54505439 0.52255984 0.13240666
0.58569839 0.53222668 0.02700819
0.49960357 0.48317604 0.88039224
0.54719569 0.62086648 0.96947414
0.50675841 0.36119147 0.18414165
0.61584593 0.48843258 0.20906045
0.47477951 0.63504133 0.79194189
0.46948981 0.58288646 0.70195562
0.42566359 0.61744013 0.61563462
0.44603964 0.73037811 0.79197578
0.40924361 0.76887976 0.70317012
0.39490391 0.71243620 0.61683697
0.27646880 0.72438035 0.48826887
0.26099978 0.74974979 0.38839175
0.17301913 0.73284718 0.34216138
0.20848859 0.67557773 0.53916370
0.12134168 0.65842516 0.49222872
0.10273989 0.68975317 0.39510094
0.40930356 0.54355389 0.53214395
0.33824760 0.79883329 0.33578724
0.21027994 0.39688513 0.19029805
0.29574454 0.34173360 0.22857145
0.28619375 0.27474699 0.13661528
0.19451903 0.32609957 0.10167480
0.24394381 0.49182494 0.14773656
0.20526783 0.38853475 0.01156055
0.28090355 0.27656404 0.31528214
0.28325844 0.17225305 0.17760522
0.25452031 0.56087688 0.97705619
0.24983751 0.65468125 0.01401397
0.24064841 0.73627037 0.95370685
0.26107461 0.54924983 0.87462871
0.25682606 0.63056196 0.81447439
0.24408983 0.72476751 0.84971371
0.25624884 0.88939798 0.78219351
0.21444064 0.95393780 0.71287809
0.21764615 0.05265882 0.73779857
0.31807214 0.92711121 0.85712788
0.32116705 0.02591505 0.88005671
0.26643857 0.08822631 0.82370009
0.22646129 0.82359249 0.01783730
0.18460326 0.92693222 0.60726040
0.12224881 0.07787107 0.91025917
0.89470328 0.08150742 0.77651077
0.89105784 0.90430313 0.86174459
0.06506970 0.89077492 0.90195701
0.97814101 0.13948113 0.19304829
0.94805363 0.82808004 0.19365367
0.83509494 0.83842458 0.32580401
0.64180828 0.22732693 0.55677839
0.65164438 0.02551613 0.24712776
0.53517829 0.15363903 0.25923561
0.53640929 0.26070516 0.40546796
0.00360377 0.86136400 0.60457403
0.73740442 0.51624512 0.28048592
0.79093007 0.61583945 0.14405438
0.90922537 0.66820076 0.01274932
0.95201129 0.46104793 0.98445727
0.60696643 0.30666572 0.01707350
0.72028667 0.47079193 0.77786977
0.59913988 0.40108725 0.65948576
0.22320117 0.17127735 0.50670297
0.34793993 0.34143281 0.81322071
0.18915007 0.35770657 0.75635078
0.12413084 0.28023173 0.59390764
0.05895030 0.58357217 0.26252083
0.79937559 0.90013264 0.72948947
0.65362533 0.79248137 0.84349330
0.54237626 0.80518692 0.67464090
0.69592632 0.86922341 0.56289917
0.94168048 0.64109719 0.69317786
0.68712215 0.52979898 0.55054554
0.74096897 0.36027172 0.57369969
1.01185689 0.19472433 0.97130264
0.71535934 0.24220364 0.77698797
0.71595270 0.16263398 0.94091531
0.86189917 0.14705585 0.04440105
0.62058611 0.08964675 0.74624386
0.43580144 0.36572043 1.00579683
0.40360684 0.44770328 0.10161819
0.52120249 0.59395194 0.15483774
0.66085628 0.54796171 0.03198580
0.49567232 0.51102828 0.69850943
0.45431594 0.77354062 0.86008179
0.39077183 0.84467423 0.69918598
0.16034796 0.75383731 0.26475097
0.22090025 0.65989081 0.61759405
0.06632443 0.62467501 0.53320647
0.03221486 0.68256065 0.36290989
0.64199011 0.35397065 0.27072791
0.15663973 0.40703062 0.24236903
0.35810273 0.38793906 0.24501631
0.33872674 0.27858724 0.08313634
0.13289404 0.27773034 0.09317365
0.24782197 0.66477089 0.09342220
0.26896832 0.47858809 0.84120487
0.26391192 0.62101816 0.73540829
0.18129630 0.10189491 0.68780985
0.35628636 0.87771587 0.90543814
0.36225300 0.05205742 0.94598204
0.26395761 0.16461759 0.84373693
0.27771583 0.12227835 0.32557528
0.09659682 0.12662783 0.10799623
0.91563005 0.85173844 0.01990710
0.94751739 0.03731140 0.57957816
0.03564079 0.79177270 0.78429152
0.77620034 0.98754039 0.39836663
0.72342573 0.34906121 0.11998273
0.77475716 0.57845917 0.90253306
0.88477742 0.56355072 0.32065875
0.08649423 0.59131888 0.07227894
0.47590758 0.28116343 0.69233534
0.85763207 0.72260004 0.79872292
0.64477072 0.67673077 0.53188425
0.68467995 0.98003722 0.91336635
0.57153618 0.98895687 0.58689306
0.86839215 0.30699183 0.68858950
0.45284199 0.43607549 0.81462032
0.55188851 0.70525281 0.99840050
0.48043222 0.27613982 0.19907209
0.68699941 0.54528023 0.23876741
0.35965697 0.75667079 0.53275932
0.27441465 0.56236319 0.19676592
0.18522287 0.36537821 0.92512310
0.27544251 0.30471763 0.40064394
0.29306731 0.09589093 0.13403761
0.23349920 0.79144983 0.77349440
0.00720330 0.98016556 0.09207979
0.97109933 0.89054998 0.66137470
0.75096551 0.41903869 0.96421398
0.00321664 0.58921715 0.21283187
0.77231264 0.68562695 0.64767771
0.61922008 0.00844042 0.75422638
0.50602867 0.58606840 0.87901983
0.59645523 0.39948124 0.23599176
0.24266176 0.48160582 0.04289613
0.27521936 0.18119388 0.28008238
0.80003430 0.22718580 0.30553496
0.95032679 0.24307542 0.31347708
0.88154880 0.18537419 0.44078330
0.77824982 0.99493998 0.58403258
0.62207579 0.18177576 0.71163267
0.77587416 0.13902788 0.64493472
0.38988751 0.32408643 0.96791954
0.47580890 0.12395165 0.82727536
0.52383875 0.14952947 0.98235483
0.38480367 0.13870328 0.44613907
0.37796007 0.04512192 0.57639437
0.49115327 0.15315625 0.56781641
0.85364677 0.44873534 0.84259364
0.07396242 0.55524423 0.72021299
0.02889873 0.46698756 0.83967802
1.01070109 0.18472141 0.69099797
0.10277690 0.21093382 0.82383704
0.04914133 0.33234840 0.73325410
0.33829329 0.47975816 0.55268735
0.48547530 0.48827613 0.52415733
0.38902145 0.58003044 0.44089072
0.35266453 0.89468203 0.36395361
0.31901482 0.79766749 0.23603994
0.42095361 0.75628276 0.35204643
0.30677053 0.85618846 0.06676365
0.16503255 0.80064900 0.08888603
0.19067361 0.90084755 0.97049973
0.25919183 0.91147125 0.55433255
0.13742903 -0.00198453 0.55849625
0.13055622 0.84271312 0.59525077
No title
1
14.532511 -0.301362 -0.468838
-0.303203 13.744037 -0.034428
-0.473823 -0.030960 13.466419
C H O N F
110 60 25 10 30
Direct configuration= 119
0.07328863 0.03728540 0.95296799
0.92712293 0.01530548 0.75705514
0.95013596 0.93735685 0.82451173
0.02104714 0.95013536 0.92235105
0.06475636 0.05728390 0.05522314
0.97399174 0.91786437 0.01447850
0.94897265 -0.00901258 0.65813553
0.99037848 0.86147395 0.75738924
0.96279834 0.98410147 0.18065991
0.94493211 0.07403594 0.22136350
0.88613371 0.08103411 0.29811389
0.92926656 0.89784504 0.22231661
0.86745607 0.90363285 0.29537911
0.84211735 0.99383181 0.32927834
0.70953859 0.05443688 0.39577318
0.70522090 0.11146660 0.48344781
0.64702467 0.19104594 0.48528677
0.64961235 0.06983236 0.31407649
0.58651183 0.14295002 0.32012177
0.58792220 0.20571138 0.40299701
0.87903754 0.18272822 0.33962498
0.75395267 0.08358437 0.56927232
0.84477613 0.47341903 0.09524481
0.85411975 0.57582581 0.14050053
0.91963585 0.60291695 0.05819470
0.89545500 0.50399539 0.00810043
0.76856800 0.40650929 0.06945942
0.81431980 0.50276668 0.92740919
0.91251242 0.57697097 0.23730327
0.01332183 0.59723101 0.11050336
0.67551453 0.39279245 0.90663191
0.59156175 0.34510973 0.94754349
0.54051026 0.27913136 0.86961109
0.66857499 0.41979012 0.80369387
0.60229790 0.38030059 0.73742997
0.53347377 0.31199603 0.76698041
0.38111619 0.26307279 0.68303774
0.34501637 0.20887628 0.59987704
0.25166970 0.21387648 0.57031302
0.32246311 0.30913159 0.74298802
0.23131492 0.31748876 0.70900808
0.19568854 0.27336071 0.62067973
0.51386189 0.18787364 0.89244331
0.40027167 0.13799850 0.54835549
0.75061612 0.83705214 0.72354013
0.66426942 0.84852781 0.78732262
0.60580035 0.84909107 0.68756836
0.68724018 0.82387094 0.62821136
0.80136543 0.74502157 0.73313260
0.69440174 0.72127508 0.59490960
0.65811049 0.95145954 0.82945604
0.59258824 0.95577368 0.66923410
0.80724174 0.59403715 0.63227164
0.89727641 0.57933390 0.66681243
0.92507967 0.48377332 0.68923859
0.75357849 0.51598169 0.58874305
0.78385698 0.42229563 0.60213489
0.86094439 0.40286450 0.66499914
0.86355639 0.26821163 0.78494041
0.94613212 0.24377997 0.83429661
0.94646829 0.20584463 0.93047555
0.78038976 0.23858802 0.82223652
0.78079575 0.19188473 0.91426144
0.86307831 0.18029204 0.97107060
0.00878174 0.49488587 0.74942024
0.02708876 0.24256563 0.77307750
0.55401026 0.44609462 0.96098525
0.47460175 0.43957586 0.12836664
0.54504576 0.52261359 0.13243483
0.58571446 0.53225977 0.02704007
0.49961262 0.48321153 0.88039784
0.54724915 0.62089592 0.96948297
0.50672380 0.36126731 0.18420609
0.61582452 0.48850619 0.20911392
0.47482992 0.63507540 0.79194263
0.46957982 0.58291357 0.70195035
0.42573405 0.61743582 0.61562169
0.44604157 0.73040229 0.79196788
0.40923627 0.76888084 0.70315028
0.39492405 0.71242008 0.61681701
0.27648015 0.72434893 0.48823461
0.26099393 0.74975999 0.38836413
0.17300131 0.73290026 0.34214909
0.20851200 0.67551942 0.53911872
0.12135090 0.65841034 0.49219837
0.10272775 0.68980352 0.39509101
0.40938413 0.54354542 0.53212265
0.33822959 0.79885262 0.33575126
0.21025138 0.39688580 0.19033120
0.29570301 0.34171372 0.22860336
0.28615468 0.27473114 0.13663143
0.19447934 0.32609680 0.10170039
0.24393388 0.49182246 0.14777361
0.20522815 0.38853155 0.01158189
0.28082043 0.27653721 0.31530424
0.28321592 0.17223579 0.17761394
0.25451167 0.56086829 0.97708481
0.24984654 0.65467532 0.01405027
0.24068520 0.73627403 0.95374510
0.26107595 0.54923197 0.87465084
0.25684667 0.63055222 0.81449741
0.24412488 0.72476219 0.84974429
0.25628380 0.88940250 0.78223279
0.21447305 0.95394366 0.71292189
0.21768473 0.05267108 0.73784032
0.31810820 0.92711589 0.85717413
0.32119471 0.02592139 0.88011456
0.26647530 0.08823968 0.82375375
0.22653559 0.82362015 0.01787034
0.18459523 0.92691549 0.60731178
0.12216844 0.07784446 0.91022457
0.89468957 0.08146678 0.77651927
0.89104018 0.90421913 0.86171801
0.06505318 0.89071670 0.90194351
0.97814519 0.13944336 0.19306757
0.94801733 0.82803018 0.19368041
0.83506684 0.83840909 0.32583830
0.64178278 0.22743611 0.55669011
0.65164519 0.02547613 0.24710875
0.53518257 0.15362519 0.25914997
0.53640180 0.26075648 0.40534538
0.00354998 0.86130340 0.60451380
0.73737331 0.51631092 0.28056755
0.79091658 0.61583460 0.14412864
0.90921124 0.66823924 0.01284280
0.95198407 0.46108136 0.98444385
0.60695292 0.30668949 0.01711038
0.72025859 0.47078302 0.77786914
0.59911962 0.40104702 0.65948241
0.22320698 0.17122130 0.50669198
0.34793589 0.34148855 0.81318190
0.18916323 0.35782445 0.75623992
0.12415741 0.28027608 0.59381138
0.05892681 0.58351465 0.26260299
0.79936420 0.90010424 0.72943133
0.65362809 0.79245667 0.84344084
0.54237448 0.80513017 0.67457975
0.69590419 0.86921977 0.56282878
0.94168951 0.64110145 0.69305531
0.68710443 0.52972383 0.55053280
0.74099646 0.36020605 0.57370122
1.01193888 0.19478748 0.97132197
0.71545224 0.24223695 0.77695921
0.71603598 0.16269967 0.94090112
0.86197772 0.14714386 0.04441502
0.62055668 0.08962169 0.74621757
0.43576930 0.36577862 1.00589731
0.40358148 0.44778870 0.10168939
0.52119558 0.59401678 0.15485270
0.66087283 0.54797288 0.03203994
0.49581452 0.51107243 0.69851297
0.45429098 0.77357227 0.86007702
0.39073992 0.84467044 0.69915539
0.16031500 0.75392697 0.26474784
0.22094479 0.65976750 0.61753717
0.06634270 0.62464271 0.53317366
0.03219571 0.68265687 0.36291337
0.64193342 0.35404516 0.27083423
0.15661790 0.40704776 0.24241069
0.35806447 0.38790468 0.24507581
0.33868413 0.27857861 0.08314547
0.13285091 0.27772905 0.09320655
0.24782395 0.66476658 0.09346226
0.26895964 0.47856568 0.84122560
0.26393415 0.62100444 0.73542493
0.18133713 0.10191077 0.68785056
0.35632674 0.87771901 0.90547980
0.36227271 0.05206164 0.94605405
0.26399615 0.16463465 0.84379537
0.27760479 0.12224342 0.32557794
0.09654998 0.12654089 0.10795869
0.91563007 0.85163102 0.01992000
0.94741640 0.03726654 0.57953066
0.03562624 0.79169933 0.78423836
0.77618312 0.98754860 0.39839922
0.72339446 0.34911273 0.12000464
0.77468301 0.57852043 0.90263145
0.88474903 0.56348780 0.32071906
0.08648817 0.59138245 0.07235395
0.47590140 0.28112293 0.69235142
0.85760119 0.72254326 0.79867461
0.64481367 0.67671774 0.53172236
0.68471417 0.98003733 0.91330439
0.57145968 0.98892017 0.58684910
0.86849224 0.30697604 0.68854689
0.45284788 0.43612445 0.81463711
0.55197603 0.70532106 0.99840672
0.48038611 0.27621515 0.19916768
0.68697424 0.54534038 0.23883416
0.35967053 0.75663455 0.53272498
0.27443124 0.56234880 0.19680488
0.18518238 0.36538473 0.92513883
0.27532256 0.30469431 0.40066179
0.29305366 0.09586420 0.13403876
0.23353680 0.79144931 0.77352691
0.00718155 0.98010424 0.09207580
0.97105278 0.89048827 0.66133274
0.75095766 0.41904726 0.96422225
0.00319147 0.58915687 0.21290359
0.77231120 0.68560136 0.64758651
0.61918348 0.00841243 0.75417648
0.50607093 0.58611345 0.87902929
0.59642275 0.39953690 0.23607100
0.24263397 0.48160033 0.04292518
0.27513665 0.18116767 0.28008977
0.80002937 0.22717911 0.30557517
0.95031774 0.24306797 0.31348006
0.88157165 0.18537752 0.44081633
0.77813937 0.99498071 0.58409698
0.62208820 0.18177779 0.71167329
0.77586379 0.13914551 0.64492386
0.38988020 0.32415499 0.96795982
0.47582331 0.12393204 0.82730824
0.52384741 0.14953217 0.98239799
0.38472812 0.13859659 0.44612995
0.37806823 0.04508080 0.57646175
0.49116496 0.15320943 0.56771066
0.85360045 0.44887825 0.84255263
0.07396497 0.55528426 0.72023581
0.02889223 0.46692075 0.83962922
1.01084437 0.18459339 0.69106412
0.10289578 0.21103651 0.82388708
0.04916777 0.33230710 0.73313347
0.33833154 0.47978935 0.55262035
0.48553267 0.48821570 0.52418295
0.38916875 0.58003300 0.44085554
0.35264946 0.89470141 0.36393693
0.31897850 0.79770191 0.23599964
0.42093621 0.75629636 0.35198298
0.30687695 0.85627026 0.06670088
0.16519072 0.80069632 0.08900435
0.19066699 0.90083803 0.97052481
0.25915861 0.91149818 0.55432301
0.13735290 -0.00202795 0.55857170
0.13059111 0.84266476 0.59535073
No title
1
14.532808 -0.300802 -0.468827
-0.302725 13.742962 -0.035161
-0.473887 -0.031698 13.464918
C H O N F
110 60 25 10 30
Direct configuration= 120
0.07319843 0.03721519 0.95294759
0.92705666 0.01519644 0.75703172
0.95009795 0.93722116 0.82449064
0.02101100 0.95001903 0.92233044
0.06469790 0.05719805 0.05518768
0.97396259 0.91773082 0.01448722
0.94885958 -0.00912037 0.65807196
0.99034552 0.86134405 0.75732918
0.96276764 0.98402254 0.18067804
0.94491672 0.07397705 0.22139967
0.88612601 0.08100580 0.29815029
0.92921785 0.89777950 0.22236213
0.86742379 0.90360152 0.29542263
0.84209183 0.99381195 0.32932791
0.70950699 0.05445612 0.39577385
0.70515500 0.11155457 0.48339677
0.64699130 0.19116315 0.48517039
0.64959402 0.06981451 0.31401886
0.58650507 0.14295924 0.31999815
0.58790826 0.20577831 0.40284014
0.87903872 0.18271793 0.33966720
0.75387344 0.08371044 0.56929796
0.84475973 0.47344185 0.09527329
0.85409103 0.57581262 0.14060420
0.91960866 0.60294471 0.05830787
0.89542854 0.50404415 0.00813462
0.76852088 0.40652512 0.06947914
0.81424851 0.50286470 0.92744803
0.91247646 0.57688885 0.23741120
0.01329785 0.59724222 0.11062719
0.67547620 0.39281142 0.90665672
0.59153368 0.34513234 0.94759226
0.54047483 0.27913160 0.86966469
0.66852948 0.41977726 0.80369765
0.60227253 0.38026390 0.73744822
0.53345717 0.31195574 0.76700909
0.38110844 0.26303199 0.68302397
0.34501688 0.20880390 0.59987702
0.25168171 0.21381218 0.57027618
0.32245524 0.30918462 0.74293598
0.23133106 0.31758536 0.70888177
0.19571188 0.27339745 0.62058032
0.51386048 0.18787587 0.89250439
0.40028625 0.13792904 0.54833790
0.75059302 0.83700405 0.72342221
0.66425811 0.84847883 0.78721969
0.60577779 0.84902555 0.68745972
0.68722189 0.82383394 0.62807473
0.80135314 0.74494919 0.73303397
0.69441829 0.72124265 0.59470899
0.65810762 0.95142921 0.82936082
0.59250986 0.95571156 0.66914524
0.80725556 0.59398453 0.63213309
0.89729572 0.57931556 0.66665087
0.92513065 0.48377310 0.68913113
0.75357413 0.51588201 0.58868328
0.78389213 0.42221451 0.60209815
0.86101523 0.40282713 0.66491891
0.86370576 0.26823269 0.78488853
0.94629500 0.24380832 0.83428123
0.94660690 0.20592329 0.93047502
0.78055474 0.23864336 0.82219349
0.78093272 0.19197659 0.91423323
0.86322901 0.18040104 0.97107450
0.00879796 0.49488823 0.74935152
0.02725708 0.24255448 0.77307365
0.55403585 0.44614668 0.96101672
0.47457437 0.43967706 0.12841628
0.54503135 0.52270777 0.13248289
0.58574121 0.53231553 0.02709238
0.49963319 0.48327915 0.88041461
0.54734168 0.62099288 0.96951274
0.50666984 0.36138335 0.18432366
0.61578416 0.48860376 0.20921327
0.47491427 0.63513797 0.79194147
0.46973419 0.58295912 0.70194476
0.42585270 0.61743011 0.61559761
0.44604615 0.73044067 0.79195523
0.40922339 0.76888195 0.70311445
0.39495911 0.71239236 0.61678452
0.27650138 0.72429828 0.48817165
0.26098435 0.74977685 0.38832081
0.17297144 0.73299179 0.34212565
0.20855061 0.67541843 0.53904667
0.12136613 0.65838671 0.49214251
0.10270722 0.68988799 0.39507899
0.40952323 0.54353081 0.53208562
0.33819923 0.79888596 0.33568949
0.21020235 0.39688706 0.19038796
0.29563188 0.34168039 0.22865742
0.28608851 0.27470547 0.13665774
0.19441133 0.32609117 0.10174370
0.24391392 0.49181192 0.14783240
0.20516171 0.38852865 0.01161932
0.28067838 0.27649925 0.31535775
0.28314611 0.17219016 0.17761909
0.25449763 0.56084813 0.97712770
0.24986158 0.65467311 0.01411431
0.24074834 0.73627620 0.95381007
0.26107758 0.54921031 0.87469176
0.25688260 0.63052799 0.81453660
0.24418380 0.72475926 0.84979924
0.25634669 0.88940926 0.78230462
0.21452631 0.95395591 0.71299413
0.21775311 0.05269182 0.73791617
0.31816629 0.92712480 0.85724827
0.32124568 0.02593075 0.88021755
0.26653267 0.08826246 0.82383838
0.22666084 0.82366865 0.01792794
0.18458232 0.92688807 0.60739912
0.12202823 0.07779479 0.91016887
0.89466493 0.08139724 0.77653383
0.89100582 0.90407460 0.86167752
0.06502492 0.89061654 0.90191914
0.97814956 0.13937569 0.19310177
0.94795642 0.82794391 0.19372339
0.83501729 0.83838018 0.32589806
0.64173774 0.22762187 0.55653832
0.65164725 0.02541031 0.24708075
0.53519114 0.15360076 0.25900457
0.53638660 0.26084553 0.40513637
0.00345581 0.86120278 0.60441502
0.73732156 0.51642137 0.28070761
0.79089461 0.61582482 0.14425458
0.90918726 0.66830472 0.01300252
0.95193526 0.46114009 0.98442089
0.60692990 0.30673122 0.01717127
0.72021582 0.47077210 0.77786587
0.59908495 0.40097785 0.65947709
0.22321672 0.17112576 0.50667428
0.34792876 0.34158279 0.81311349
0.18918455 0.35802614 0.75605286
0.12420355 0.28035056 0.59364836
0.05888373 0.58341735 0.26273982
0.79934388 0.90005424 0.72933201
0.65363293 0.79241485 0.84335100
0.54237191 0.80503345 0.67447522
0.69586750 0.86921394 0.56270868
0.94170779 0.64111312 0.69284904
0.68707641 0.52959647 0.55051276
0.74103917 0.36008797 0.57370131
1.01208133 0.19489403 0.97135609
0.71560455 0.24229391 0.77690741
0.71618049 0.16281226 0.94087716
0.86211012 0.14729362 0.04443774
0.62050721 0.08957959 0.74617267
0.43571412 0.36587718 1.00606808
0.40353925 0.44793378 0.10181106
0.52118363 0.59412605 0.15487702
0.66090111 0.54799227 0.03213161
0.49605582 0.51114745 0.69851845
0.45424902 0.77362613 0.86006890
0.39068568 0.84466436 0.69910322
0.16025900 0.75407982 0.26474398
0.22102030 0.65955818 0.61743893
0.06637344 0.62458734 0.53311859
0.03216300 0.68282035 0.36291914
0.64184567 0.35416292 0.27102104
0.15658043 0.40707655 0.24248088
0.35799887 0.38784587 0.24517698
0.33861160 0.27856384 0.08316140
0.13277828 0.27772856 0.09326186
0.24782758 0.66475935 0.09352981
0.26894526 0.47852540 0.84126003
0.26397161 0.62098222 0.73545443
0.18140575 0.10193828 0.68791900
0.35639652 0.87772367 0.90555149
0.36230518 0.05206822 0.94617426
0.26406180 0.16466391 0.84389488
0.27741610 0.12218519 0.32558127
0.09650422 0.12646615 0.10795228
0.91565707 0.85148024 0.01993765
0.94724736 0.03716754 0.57948823
0.03558936 0.79159321 0.78413768
0.77614775 0.98757001 0.39845025
0.72333470 0.34918880 0.12005261
0.77456083 0.57862092 0.90280205
0.88469435 0.56337721 0.32083978
0.08647183 0.59149082 0.07248527
0.47588862 0.28105359 0.69237793
0.85751908 0.72245995 0.79855759
0.64489684 0.67670406 0.53145813
0.68476809 0.98003122 0.91318324
0.57132639 0.98886223 0.58676273
0.86866432 0.30695196 0.68847569
0.45285185 0.43620202 0.81465739
0.55212210 0.70539554 0.99840402
0.48030808 0.27634863 0.19932858
0.68693192 0.54544782 0.23894527
0.35969323 0.75657240 0.53266674
0.27446093 0.56233012 0.19687572
0.18511363 0.36539567 0.92516372
0.27511908 0.30464991 0.40067847
0.29302761 0.09583393 0.13404889
0.23360015 0.79144788 0.77358197
0.00714464 0.98000700 0.09207924
0.97098015 0.89037474 0.66124954
0.75094760 0.41906314 0.96424089
0.00315399 0.58905299 0.21303219
0.77230784 0.68555718 0.64742954
0.61912076 0.00836116 0.75409160
0.50614338 0.58618498 0.87904565
0.59635900 0.39966604 0.23618796
0.24258727 0.48159167 0.04297625
0.27499558 0.18112088 0.28010253
0.80002085 0.22716727 0.30564310
0.95030266 0.24305451 0.31348489
0.88160987 0.18538265 0.44087022
0.77794249 0.99507792 0.58419722
0.62210839 0.18178100 0.71174297
0.77583393 0.13932276 0.64486525
0.38986867 0.32427283 0.96802914
0.47584794 0.12389903 0.82736473
0.52386215 0.14953698 0.98247296
0.38459937 0.13841405 0.44611531
0.37825220 0.04501206 0.57657748
0.49118509 0.15329957 0.56753023
0.85352223 0.44912148 0.84248451
0.07396940 0.55535472 0.72027404
0.02887966 0.46680715 0.83954161
1.01108692 0.18437390 0.69117855
0.10309669 0.21120928 0.82397204
0.04921380 0.33223550 0.73292924
0.33839749 0.47984226 0.55250604
0.48563068 0.48811351 0.52422614
0.38942021 0.58003752 0.44079643
0.35262410 0.89473489 0.36390931
0.31891693 0.79776058 0.23593114
0.42090616 0.75631989 0.35187504
0.30705749 0.85640911 0.06659598
0.16545860 0.80077798 0.08920375
0.19065631 0.90082113 0.97056869
0.25910125 0.91154381 0.55430765
0.13722433 -0.00210223 0.55870072
0.13064945 0.84258278 0.59552032
No title
1
14.533008 -0.300499 -0.468827
-0.302464 13.742496 -0.035517
-0.473924 -0.032057 13.464237
C H O N F
110 60 25 10 30
Direct configuration= 121
0.07315079 0.03716992 0.95291826
0.92701910 0.01513800 0.75702428
0.95007880 0.93716257 0.82446589
0.02097813 0.94996017 0.92232329
0.06465436 0.05713580 0.05517739
0.97396271 0.91767069 0.01448502
0.94879771 -0.00918038 0.65805470
0.99030799 0.86130344 0.75728035
0.96275202 0.98397818 0.18068606
0.94491377 0.07394842 0.22141285
0.88611705 0.08099014 0.29817561
0.92919919 0.89774274 0.22237668
0.86739655 0.90357744 0.29545673
0.84207829 0.99380515 0.32935417
0.70948211 0.05446879 0.39576539
0.70511572 0.11160769 0.48336556
0.64697372 0.19122127 0.48510050
0.64958920 0.06980489 0.31399583
0.58650492 0.14296056 0.31993194
0.58789767 0.20582065 0.40275952
0.87904036 0.18271033 0.33968932
0.75383344 0.08376100 0.56931097
0.84473925 0.47343800 0.09528611
0.85407779 0.57580661 0.14065802
0.91959733 0.60296307 0.05836858
0.89540735 0.50407482 0.00815394
0.76852118 0.40656029 0.06948466
0.81421629 0.50291404 0.92747444
0.91245336 0.57684250 0.23748313
0.01327795 0.59724866 0.11069575
0.67546133 0.39282592 0.90667157
0.59151840 0.34514300 0.94761771
0.54045969 0.27914543 0.86969052
0.66851455 0.41977455 0.80371110
0.60225080 0.38024123 0.73744298
0.53344637 0.31193056 0.76702517
0.38110118 0.26301729 0.68302743
0.34501557 0.20875954 0.59987032
0.25168652 0.21378469 0.57026500
0.32245244 0.30920744 0.74289760
0.23134171 0.31764325 0.70882361
0.19572644 0.27340912 0.62051651
0.51385444 0.18785975 0.89254017
0.40029529 0.13789230 0.54833021
0.75058314 0.83697614 0.72336030
0.66425225 0.84845299 0.78716289
0.60576574 0.84898994 0.68740129
0.68721276 0.82381259 0.62800253
0.80130229 0.74493288 0.73293364
0.69443408 0.72122871 0.59460833
0.65810298 0.95140816 0.82929928
0.59246664 0.95567999 0.66909348
0.80725883 0.59395774 0.63205627
0.89730921 0.57930823 0.66656442
0.92515352 0.48376845 0.68907049
0.75357340 0.51583089 0.58865170
0.78390740 0.42216551 0.60207545
0.86105759 0.40281003 0.66487889
0.86380449 0.26824314 0.78486488
0.94637074 0.24382937 0.83426142
0.94669385 0.20596359 0.93048216
0.78062767 0.23867326 0.82216442
0.78102283 0.19202468 0.91422799
0.86329258 0.18046035 0.97107087
0.00881040 0.49488696 0.74932499
0.02734859 0.24254624 0.77307089
0.55404746 0.44617929 0.96102926
0.47455798 0.43973052 0.12844285
0.54502488 0.52275594 0.13250844
0.58575510 0.53234586 0.02712154
0.49965263 0.48331990 0.88043593
0.54738947 0.62100717 0.96951599
0.50663813 0.36144896 0.18438449
0.61576527 0.48867249 0.20926246
0.47495937 0.63517234 0.79194053
0.46981630 0.58298403 0.70193809
0.42591829 0.61742663 0.61558740
0.44604810 0.73046179 0.79194638
0.40921758 0.76888341 0.70309893
0.39497736 0.71237546 0.61676409
0.27651223 0.72426804 0.48814521
0.26097760 0.74978777 0.38829113
0.17295560 0.73304010 0.34211798
0.20857066 0.67536595 0.53900125
0.12137640 0.65837232 0.49211954
0.10269589 0.68993635 0.39506607
0.40959811 0.54352336 0.53206700
0.33818302 0.79890398 0.33565746
0.21017593 0.39688813 0.19041900
0.29559305 0.34166169 0.22868848
0.28605257 0.27469129 0.13667286
0.19437393 0.32608652 0.10176630
0.24390511 0.49181196 0.14786731
0.20512611 0.38852749 0.01164014
0.28060465 0.27646468 0.31533911
0.28310643 0.17218038 0.17763240
0.25448997 0.56084424 0.97715833
0.24987041 0.65466556 0.01414484
0.24078241 0.73628053 0.95384740
0.26107944 0.54919092 0.87471052
0.25690141 0.63052215 0.81455729
0.24421615 0.72475313 0.84982670
0.25637662 0.88941291 0.78233777
0.21455619 0.95395874 0.71303490
0.21778633 0.05270565 0.73795196
0.31820240 0.92712664 0.85729383
0.32126867 0.02594006 0.88026753
0.26656894 0.08827322 0.82389148
0.22672720 0.82369528 0.01795831
0.18457288 0.92687376 0.60744696
0.12195576 0.07777161 0.91013583
0.89465801 0.08134649 0.77653730
0.89098328 0.90399302 0.86165815
0.06501695 0.89055696 0.90190571
0.97815050 0.13933681 0.19312136
0.94792258 0.82789930 0.19374754
0.83499312 0.83836893 0.32592783
0.64171275 0.22772465 0.55646040
0.65164855 0.02537309 0.24706346
0.53519355 0.15358806 0.25892325
0.53638051 0.26089108 0.40502303
0.00340897 0.86114594 0.60435588
0.73729369 0.51648162 0.28078314
0.79088065 0.61582085 0.14432312
0.90917438 0.66833876 0.01308974
0.95191304 0.46116881 0.98440627
0.60691763 0.30675304 0.01720513
0.72019146 0.47076490 0.77786395
0.59906668 0.40093922 0.65947875
0.22322115 0.17107167 0.50666240
0.34792597 0.34163579 0.81307990
0.18919732 0.35813365 0.75595000
0.12422860 0.28039068 0.59356135
0.05886051 0.58336461 0.26281477
0.79933292 0.90002676 0.72927789
0.65363537 0.79239171 0.84330247
0.54237074 0.80498124 0.67441839
0.69584847 0.86921142 0.56264287
0.94171675 0.64111795 0.69273676
0.68706077 0.52952754 0.55050147
0.74106376 0.36002611 0.57370237
1.01215384 0.19495215 0.97137183
0.71569124 0.24232453 0.77688298
0.71625457 0.16287154 0.94086536
0.86218248 0.14737380 0.04445194
0.62048036 0.08955601 0.74614837
0.43568512 0.36593139 1.00616142
0.40351774 0.44801198 0.10187753
0.52117660 0.59418637 0.15489088
0.66091692 0.54800314 0.03218092
0.49618597 0.51118797 0.69852135
0.45422640 0.77365575 0.86006455
0.39065642 0.84466116 0.69907484
0.16022854 0.75416330 0.26474055
0.22106139 0.65944468 0.61738806
0.06639048 0.62455780 0.53308820
0.03214607 0.68290854 0.36292309
0.64179385 0.35423118 0.27111902
0.15655967 0.40709204 0.24251854
0.35796331 0.38781435 0.24523138
0.33857293 0.27855620 0.08316979
0.13273977 0.27772907 0.09329132
0.24782971 0.66475618 0.09356899
0.26893720 0.47850676 0.84128015
0.26399174 0.62097024 0.73547064
0.18144375 0.10195171 0.68795757
0.35643290 0.87772788 0.90558813
0.36232401 0.05207231 0.94624060
0.26409695 0.16467960 0.84394817
0.27731421 0.12215333 0.32558256
0.09648685 0.12644152 0.10795831
0.91565985 0.85138638 0.01994840
0.94715618 0.03711693 0.57945870
0.03558749 0.79150684 0.78409373
0.77613297 0.98757774 0.39847698
0.72329235 0.34921618 0.12008763
0.77449293 0.57867815 0.90289269
0.88466778 0.56331872 0.32089352
0.08646783 0.59154924 0.07255406
0.47588577 0.28101777 0.69239296
0.85751340 0.72239795 0.79853946
0.64493826 0.67669298 0.53131044
0.68480035 0.98003118 0.91312674
0.57125612 0.98882930 0.58671906
0.86875569 0.30693870 0.68843762
0.45284908 0.43623902 0.81466150
0.55220262 0.70546821 0.99841348
0.48026710 0.27642007 0.19941651
0.68690729 0.54550299 0.23900470
0.35970574 0.75653958 0.53263420
0.27447460 0.56231578 0.19691178
0.18507701 0.36540178 0.92517646
0.27500588 0.30463898 0.40072843
0.29301481 0.09580522 0.13404665
0.23363466 0.79144878 0.77361218
0.00712347 0.97995850 0.09208644
0.97093818 0.89031611 0.66121696
0.75092960 0.41906676 0.96424276
0.00313317 0.58899678 0.21310007
0.77230779 0.68552844 0.64734217
0.61908698 0.00833418 0.75404628
0.50618289 0.58622510 0.87905560
0.59632978 0.39971758 0.23625964
0.24256207 0.48158628 0.04300273
0.27491906 0.18109586 0.28011031
0.80001553 0.22716186 0.30567907
0.95029523 0.24304784 0.31348744
0.88163024 0.18538562 0.44089909
0.77783440 0.99513691 0.58425043
0.62211975 0.18178325 0.71178074
0.77582076 0.13942752 0.64484171
0.38986216 0.32433685 0.96806620
0.47586310 0.12388492 0.82739834
0.52387003 0.14954224 0.98251110
0.38452923 0.13831441 0.44610788
0.37835189 0.04497565 0.57664070
0.49119558 0.15334747 0.56743223
0.85347964 0.44925237 0.84244810
0.07397096 0.55539262 0.72029531
0.02887098 0.46674819 0.83948547
1.01121685 0.18425657 0.69124082
0.10320402 0.21130228 0.82401625
0.04923847 0.33219571 0.73281966
0.33843275 0.47986947 0.55244432
0.48568370 0.48805914 0.52424888
0.38955655 0.58004088 0.44076263
0.35261051 0.89475311 0.36389438
0.31888389 0.79779257 0.23589544
0.42089079 0.75633235 0.35181690
0.30715307 0.85648380 0.06653965
0.16560135 0.80082237 0.08931155
0.19065162 0.90081214 0.97059294
0.25907209 0.91156772 0.55429828
0.13715490 -0.00214211 0.55877073
0.13068228 0.84253995 0.59561150
No title
1
14.533226 -0.300024 -0.468869
-0.302063 13.741474 -0.036205
-0.474033 -0.032749 13.462763
C H O N F
110 60 25 10 30
Direct configuration= 122
0.07305902 0.03709264 0.95288722
0.92695446 0.01502890 0.75700709
0.95003776 0.93704899 0.82443476
0.02092646 0.94984555 0.92229787
0.06461281 0.05709446 0.05519342
0.97394839 0.91754892 0.01448543
0.94868785 -0.00928907 0.65801617
0.99027764 0.86117341 0.75721606
0.96271798 0.98390984 0.18071400
0.94490159 0.07388286 0.22144162
0.88610761 0.08096191 0.29821334
0.92916010 0.89767841 0.22240852
0.86735629 0.90354313 0.29550858
0.84205408 0.99378867 0.32940066
0.70943421 0.05449077 0.39573883
0.70508470 0.11167754 0.48336103
0.64693199 0.19133843 0.48498261
0.64958340 0.06978301 0.31395157
0.58650175 0.14296738 0.31981607
0.58787623 0.20589461 0.40260736
0.87904166 0.18269898 0.33972813
0.75372250 0.08388899 0.56927037
0.84471130 0.47343582 0.09531673
0.85405384 0.57579201 0.14075600
0.91957434 0.60299421 0.05847962
0.89536512 0.50412640 0.00818040
0.76848338 0.40658013 0.06952598
0.81416062 0.50301167 0.92751988
0.91241587 0.57676228 0.23759538
0.01325283 0.59725957 0.11081707
0.67542545 0.39284376 0.90669909
0.59149308 0.34516796 0.94766051
0.54042488 0.27914403 0.86974377
0.66848017 0.41976797 0.80371799
0.60222057 0.38020151 0.73745675
0.53343069 0.31189268 0.76705191
0.38109082 0.26298140 0.68301965
0.34501964 0.20868695 0.59986998
0.25169354 0.21372506 0.57023201
0.32244869 0.30925588 0.74284215
0.23135579 0.31774007 0.70870532
0.19575248 0.27344036 0.62041755
0.51385317 0.18786233 0.89259992
0.40031048 0.13782623 0.54831458
0.75056018 0.83693066 0.72324487
0.66424050 0.84840558 0.78706147
0.60574436 0.84892561 0.68729605
0.68719540 0.82377754 0.62787048
0.80129413 0.74485966 0.73283982
0.69445710 0.72119985 0.59441959
0.65809940 0.95137413 0.82920163
0.59238930 0.95562250 0.66900117
0.80726442 0.59389693 0.63191434
0.89733477 0.57929841 0.66641075
0.92520191 0.48375876 0.68896801
0.75357421 0.51574973 0.58859770
0.78393519 0.42207137 0.60203497
0.86113306 0.40278182 0.66480638
0.86396348 0.26826211 0.78481993
0.94651774 0.24386119 0.83423877
0.94683743 0.20603844 0.93048640
0.78077328 0.23872663 0.82211805
0.78116770 0.19211251 0.91420891
0.86342379 0.18056557 0.97107207
0.00882145 0.49488980 0.74925532
0.02751067 0.24253120 0.77306566
0.55406994 0.44623601 0.96105509
0.47453274 0.43982504 0.12849391
0.54501096 0.52284381 0.13255401
0.58578063 0.53239838 0.02717202
0.49966990 0.48337274 0.88044748
0.54747856 0.62109030 0.96954113
0.50658333 0.36156703 0.18449457
0.61572589 0.48877622 0.20935362
0.47504060 0.63523139 0.79193850
0.46996504 0.58302782 0.70192964
0.42603467 0.61742073 0.61556589
0.44605203 0.73050160 0.79193296
0.40920617 0.76888499 0.70306636
0.39501097 0.71234799 0.61673077
0.27653166 0.72421718 0.48808817
0.26096839 0.74980605 0.38824685
0.17292618 0.73312911 0.34209802
0.20860886 0.67527015 0.53892824
0.12139131 0.65834890 0.49206946
0.10267623 0.69002021 0.39505166
0.40973138 0.54350915 0.53203256
0.33815407 0.79893689 0.33559919
0.21012773 0.39689000 0.19047399
0.29552367 0.34162964 0.22873915
0.28598828 0.27466625 0.13669869
0.19430844 0.32608090 0.10180757
0.24388517 0.49180175 0.14792399
0.20506308 0.38852600 0.01167886
0.28046628 0.27642954 0.31540199
0.28303720 0.17214215 0.17763959
0.25447694 0.56082993 0.97720583
0.24988608 0.65465874 0.01420630
0.24084361 0.73628748 0.95391187
0.26108203 0.54916447 0.87474838
0.25693575 0.63050575 0.81459570
0.24427360 0.72474646 0.84987885
0.25643435 0.88941886 0.78240353
0.21460834 0.95396873 0.71310628
0.21784964 0.05272600 0.73802176
0.31826218 0.92713395 0.85736915
0.32131485 0.02595089 0.88036212
0.26662871 0.08829582 0.82397958
0.22684624 0.82374139 0.01801365
0.18455730 0.92684742 0.60753259
0.12182590 0.07772970 0.91007677
0.89463971 0.08126633 0.77654757
0.89094928 0.90384993 0.86161934
0.06499740 0.89045414 0.90188349
0.97815565 0.13927276 0.19315331
0.94786241 0.82781715 0.19378948
0.83494730 0.83834389 0.32598332
0.64166949 0.22790572 0.55631653
0.65165099 0.02530678 0.24703335
0.53519909 0.15356493 0.25877820
0.53636866 0.26097364 0.40482016
0.00332352 0.86104487 0.60425453
0.73724171 0.51659021 0.28091650
0.79085628 0.61581361 0.14444546
0.90915145 0.66840123 0.01324499
0.95187102 0.46122242 0.98438242
0.60689629 0.30679206 0.01726676
0.72014713 0.47075091 0.77786136
0.59903388 0.40087207 0.65947332
0.22323129 0.17097784 0.50664673
0.34791984 0.34172898 0.81301487
0.18921927 0.35832759 0.75576779
0.12427343 0.28046165 0.59340502
0.05882015 0.58326988 0.26294972
0.79931406 0.89997728 0.72918123
0.65364000 0.79235046 0.84321482
0.54236892 0.80488780 0.67431628
0.69581430 0.86920546 0.56252582
0.94173165 0.64112530 0.69253544
0.68703268 0.52940338 0.55048083
0.74110894 0.35991681 0.57370492
1.01228794 0.19505478 0.97140339
0.71584213 0.24237990 0.77683732
0.71639078 0.16297885 0.94084402
0.86231117 0.14751821 0.04447581
0.62043204 0.08951448 0.74610490
0.43563304 0.36602865 1.00632861
0.40347770 0.44815252 0.10199630
0.52116427 0.59429333 0.15491461
0.66094454 0.54802287 0.03226896
0.49641873 0.51126113 0.69852697
0.45418609 0.77370796 0.86005572
0.39060410 0.84465513 0.69902411
0.16017437 0.75431265 0.26473714
0.22113453 0.65924183 0.61729370
0.06642074 0.62450439 0.53303467
0.03211527 0.68306665 0.36292974
0.64170555 0.35434913 0.27129715
0.15652236 0.40711942 0.24258588
0.35789932 0.38775780 0.24532933
0.33850367 0.27854244 0.08318500
0.13266992 0.27772887 0.09334355
0.24783375 0.66475027 0.09363624
0.26892326 0.47847084 0.84131522
0.26402764 0.62094949 0.73549962
0.18151043 0.10197769 0.68802493
0.35649973 0.87773367 0.90565565
0.36235652 0.05207944 0.94635748
0.26416014 0.16470704 0.84404375
0.27713156 0.12209677 0.32558619
0.09642511 0.12633414 0.10792067
0.91567666 0.85123078 0.01996681
0.94699114 0.03702566 0.57940712
0.03555254 0.79140216 0.78399658
0.77610424 0.98759253 0.39852939
0.72324532 0.34930312 0.12011866
0.77437253 0.57877484 0.90305708
0.88461582 0.56321129 0.32100290
0.08645270 0.59165484 0.07268142
0.47587613 0.28095089 0.69241942
0.85743057 0.72231776 0.79842309
0.64501624 0.67667633 0.53105067
0.68485477 0.98002670 0.91301335
0.57113153 0.98877066 0.58663999
0.86891919 0.30691405 0.68836909
0.45285924 0.43632055 0.81468887
0.55234405 0.70554877 0.99841313
0.48019288 0.27654814 0.19957473
0.68686834 0.54560584 0.23911408
0.35972828 0.75647962 0.53257676
0.27450217 0.56229832 0.19698203
0.18501145 0.36541298 0.92519854
0.27480759 0.30459342 0.40073412
0.29298978 0.09577144 0.13405366
0.23369644 0.79144979 0.77366614
0.00708813 0.97986466 0.09208426
0.97086290 0.89021668 0.66115044
0.75090941 0.41907839 0.96425090
0.00309179 0.58889575 0.21322062
0.77230397 0.68549013 0.64718974
0.61902592 0.00828620 0.75396303
0.50625399 0.58629823 0.87907309
0.59627298 0.39982943 0.23637989
0.24251738 0.48157874 0.04305181
0.27478209 0.18105218 0.28012022
0.80000742 0.22715155 0.30574373
0.95028167 0.24303468 0.31349234
0.88166659 0.18539070 0.44095182
0.77764833 0.99522164 0.58435332
0.62214101 0.18178554 0.71184781
0.77580214 0.13961827 0.64480875
0.38985079 0.32445190 0.96813348
0.47588740 0.12385348 0.82745467
0.52388404 0.14954859 0.98258421
0.38440319 0.13813396 0.44609589
0.37853067 0.04490940 0.57675481
0.49121414 0.15343257 0.56725644
0.85340435 0.44948484 0.84238249
0.07397410 0.55546073 0.72033468
0.02885937 0.46663676 0.83940139
1.01144881 0.18404675 0.69135216
0.10339596 0.21146817 0.82409547
0.04928330 0.33212461 0.73262343
0.33849806 0.47991971 0.55233338
0.48577982 0.48796196 0.52428957
0.38980183 0.58004686 0.44070378
0.35258623 0.89478525 0.36386773
0.31882511 0.79785048 0.23583167
0.42086265 0.75635521 0.35171307
0.30732420 0.85661795 0.06643987
0.16585575 0.80090268 0.08950378
0.19064325 0.90079686 0.97063606
0.25901873 0.91161084 0.55428244
0.13703062 -0.00221372 0.55889699
0.13074093 0.84246386 0.59577427
No title
1
14.533340 -0.299841 -0.468837
-0.301909 13.741112 -0.036472
-0.474028 -0.033016 13.462286
C H O N F
110 60 25 10 30
Direct configuration= 123
0.07302701 0.03706396 0.95287642
0.92693113 0.01498967 0.75699435
0.95001918 0.93699845 0.82442591
0.02091226 0.94980493 0.92228810
0.06457247 0.05702527 0.05515791
0.97392961 0.91749264 0.01449002
0.94864489 -0.00931642 0.65799038
0.99026174 0.86113428 0.75719430
0.96270954 0.98387490 0.18071439
0.94489432 0.07386810 0.22145819
0.88610705 0.08095213 0.29822360
0.92913531 0.89765623 0.22243336
0.86735223 0.90353356 0.29551563
0.84204352 0.99377953 0.32941945
0.70943398 0.05449251 0.39575572
0.70504008 0.11172115 0.48330515
0.64692412 0.19137688 0.48494548
0.64957097 0.06977650 0.31391926
0.58649798 0.14297139 0.31977196
0.58787388 0.20591505 0.40254928
0.87904214 0.18269519 0.33974423
0.75371579 0.08392992 0.56932855
0.84470981 0.47344279 0.09533365
0.85404184 0.57578408 0.14079278
0.91956256 0.60300203 0.05852060
0.89535225 0.50414112 0.00818998
0.76847470 0.40659702 0.06952541
0.81413562 0.50305108 0.92753373
0.91240218 0.57673330 0.23762585
0.01324428 0.59726323 0.11086109
0.67541209 0.39285045 0.90670604
0.59148287 0.34517630 0.94767980
0.54041292 0.27914666 0.86976211
0.66845765 0.41975925 0.80371664
0.60221672 0.38019129 0.73746730
0.53342535 0.31187684 0.76706348
0.38109092 0.26296448 0.68301176
0.34501807 0.20866222 0.59987167
0.25170160 0.21369949 0.57021838
0.32244379 0.30927815 0.74282668
0.23136376 0.31777312 0.70865784
0.19575880 0.27345574 0.62038500
0.51385234 0.18786178 0.89262289
0.40031594 0.13780012 0.54830930
0.75055326 0.83691223 0.72320279
0.66423662 0.84838754 0.78702381
0.60573609 0.84890215 0.68725577
0.68718927 0.82376411 0.62782120
0.80127652 0.74484105 0.73279027
0.69446097 0.72118620 0.59434370
0.65809901 0.95136499 0.82916901
0.59236339 0.95559793 0.66897434
0.80727573 0.59388576 0.63186804
0.89733681 0.57928584 0.66635007
0.92522204 0.48376452 0.68893007
0.75356967 0.51570188 0.58857268
0.78395238 0.42205303 0.60202538
0.86115382 0.40276413 0.66477542
0.86400535 0.26827065 0.78479880
0.94658424 0.24386788 0.83423976
0.94687914 0.20606662 0.93048309
0.78084197 0.23874645 0.82210766
0.78120695 0.19214647 0.91419371
0.86348805 0.18060422 0.97107781
0.00882603 0.49488862 0.74923161
0.02756865 0.24252713 0.77306293
0.55407893 0.44625462 0.96106510
0.47452196 0.43986231 0.12851226
0.54500502 0.52287795 0.13257119
0.58578966 0.53241767 0.02718883
0.49968392 0.48340409 0.88046254
0.54751154 0.62112910 0.96955199
0.50656481 0.36160504 0.18453949
0.61571163 0.48880452 0.20939203
0.47507076 0.63525477 0.79193839
0.47002133 0.58304376 0.70192933
0.42607670 0.61741952 0.61555533
0.44605430 0.73051425 0.79192843
0.40920123 0.76888558 0.70305179
0.39502439 0.71233798 0.61672007
0.27654048 0.72420054 0.48806263
0.26096516 0.74981205 0.38823361
0.17291597 0.73316351 0.34208847
0.20862227 0.67523278 0.53890495
0.12139646 0.65834165 0.49204706
0.10266874 0.69005005 0.39505038
0.40978215 0.54350442 0.53201900
0.33814374 0.79894913 0.33557768
0.21010970 0.39689024 0.19049447
0.29549760 0.34161771 0.22875971
0.28596478 0.27465764 0.13670828
0.19428398 0.32607891 0.10182319
0.24387836 0.49180027 0.14794687
0.20503877 0.38852522 0.01168853
0.28041634 0.27641142 0.31540000
0.28301253 0.17212323 0.17764110
0.25447266 0.56082006 0.97721806
0.24989166 0.65466275 0.01423130
0.24086658 0.73628657 0.95393521
0.26108243 0.54916202 0.87476532
0.25694918 0.63049316 0.81461040
0.24429452 0.72474904 0.84990075
0.25645913 0.88942143 0.78243283
0.21462636 0.95397453 0.71313086
0.21787602 0.05273320 0.73805243
0.31828087 0.92713802 0.85739238
0.32133605 0.02595298 0.88040206
0.26664654 0.08830430 0.82400595
0.22689037 0.82375890 0.01803550
0.18455353 0.92683817 0.60756403
0.12177823 0.07771460 0.91005204
0.89463255 0.08123632 0.77655115
0.89093896 0.90379814 0.86160363
0.06498832 0.89041840 0.90187442
0.97815615 0.13924734 0.19316590
0.94784103 0.82778452 0.19380312
0.83492804 0.83833084 0.32600595
0.64165274 0.22797340 0.55626219
0.65165241 0.02528334 0.24702451
0.53520297 0.15355532 0.25872560
0.53636058 0.26100798 0.40474445
0.00328649 0.86101289 0.60422536
0.73722389 0.51662945 0.28096755
0.79084929 0.61580983 0.14449035
0.90914310 0.66842555 0.01330261
0.95185085 0.46124593 0.98437595
0.60688789 0.30680799 0.01728762
0.72013379 0.47074839 0.77785916
0.59902152 0.40084687 0.65947038
0.22323487 0.17094274 0.50664138
0.34791751 0.34176319 0.81298887
0.18922648 0.35840083 0.75570121
0.12429085 0.28048745 0.59334712
0.05880257 0.58323478 0.26299777
0.79930725 0.89995910 0.72914492
0.65364166 0.79233514 0.84318179
0.54236809 0.80485273 0.67427787
0.69580204 0.86920341 0.56248204
0.94173982 0.64113157 0.69246199
0.68702325 0.52935779 0.55047400
0.74112194 0.35987025 0.57370355
1.01234176 0.19509275 0.97141716
0.71589336 0.24240070 0.77681743
0.71644461 0.16301981 0.94083575
0.86235815 0.14757200 0.04448417
0.62041440 0.08949922 0.74608862
0.43561369 0.36606500 1.00639094
0.40346351 0.44820470 0.10204098
0.52115985 0.59433213 0.15492274
0.66095489 0.54803020 0.03230155
0.49650533 0.51128818 0.69852894
0.45417133 0.77372769 0.86005268
0.39058471 0.84465293 0.69900510
0.16015425 0.75436844 0.26473665
0.22116176 0.65916644 0.61725731
0.06643154 0.62448405 0.53301538
0.03210333 0.68312557 0.36293189
0.64167695 0.35438877 0.27136651
0.15650802 0.40712959 0.24261083
0.35787549 0.38773685 0.24536559
0.33847774 0.27853736 0.08319094
0.13264394 0.27772957 0.09336255
0.24783541 0.66474793 0.09366081
0.26891841 0.47845525 0.84132736
0.26404089 0.62094247 0.73551074
0.18153447 0.10198818 0.68804912
0.35652591 0.87773480 0.90568205
0.36236790 0.05208176 0.94639947
0.26418395 0.16471798 0.84407987
0.27706342 0.12207633 0.32558633
0.09642422 0.12634116 0.10794290
0.91569429 0.85118449 0.01997233
0.94693020 0.03698178 0.57940325
0.03554283 0.79135771 0.78396203
0.77608820 0.98760435 0.39854557
0.72321712 0.34932278 0.12014291
0.77432937 0.57880915 0.90311872
0.88459405 0.56317003 0.32105242
0.08644660 0.59169428 0.07272981
0.47586996 0.28092534 0.69242844
0.85741292 0.72228176 0.79839468
0.64504948 0.67667378 0.53096008
0.68487396 0.98002282 0.91296607
0.57108276 0.98875143 0.58660233
0.86898092 0.30690615 0.68834498
0.45285507 0.43634295 0.81468812
0.55239626 0.70557239 0.99841128
0.48016534 0.27659802 0.19963347
0.68685136 0.54564667 0.23915290
0.35973643 0.75645695 0.53255536
0.27451130 0.56228972 0.19700740
0.18498813 0.36541815 0.92521011
0.27473233 0.30458291 0.40075799
0.29297899 0.09576372 0.13405856
0.23371886 0.79144867 0.77368568
0.00707457 0.97983448 0.09209151
0.97084154 0.89017046 0.66111242
0.75090888 0.41908401 0.96425967
0.00308119 0.58885794 0.21326978
0.77230466 0.68547040 0.64713157
0.61900311 0.00826636 0.75393264
0.50627987 0.58632293 0.87907827
0.59624757 0.39988640 0.23641658
0.24250083 0.48157599 0.04307166
0.27473094 0.18103390 0.28012599
0.80000463 0.22714732 0.30576741
0.95027692 0.24302936 0.31349393
0.88167976 0.18539239 0.44096988
0.77757467 0.99526989 0.58438527
0.62214830 0.18178666 0.71187307
0.77578540 0.13966785 0.64476269
0.38984679 0.32449536 0.96815879
0.47589663 0.12384162 0.82747577
0.52388932 0.14955134 0.98261171
0.38435545 0.13806529 0.44609118
0.37859738 0.04488521 0.57679779
0.49122144 0.15346387 0.56719128
0.85337685 0.44957130 0.84235668
0.07397588 0.55548769 0.72034923
0.02885521 0.46659459 0.83937037
1.01153484 0.18396863 0.69139268
0.10346758 0.21152863 0.82412479
0.04930040 0.33209806 0.73255023
0.33852206 0.47993769 0.55229222
0.48581523 0.48792677 0.52430478
0.38989347 0.58004875 0.44068312
0.35257740 0.89479738 0.36385816
0.31880337 0.79787222 0.23580793
0.42085209 0.75636382 0.35167457
0.30738724 0.85666734 0.06640347
0.16595016 0.80093218 0.08957518
0.19063945 0.90079224 0.97065160
0.25899793 0.91162747 0.55427730
0.13698412 -0.00224059 0.55894441
0.13076193 0.84243456 0.59583469
No title
1
14.534878 -0.296639 -0.468942
-0.299180 13.735065 -0.040883
-0.474550 -0.037452 13.453749
C H O N F
110 60 25 10 30
Direct configuration= 124
0.07248120 0.03650264 0.95254742
0.92652058 0.01428496 0.75678466
0.94971615 0.93618393 0.82420763
0.02059295 0.94906332 0.92211962
0.06416959 0.05655013 0.05526812
0.97382254 0.91673667 0.01449453
0.94793330 -0.00998639 0.65779760
0.98999950 0.86042310 0.75674008
0.96251865 0.98339063 0.18083850
0.94481403 0.07350567 0.22166383
0.88604368 0.08077135 0.29846291
0.92885833 0.89722618 0.22266619
0.86711173 0.90331864 0.29582583
0.84189002 0.99366279 0.32971459
0.70920992 0.05460572 0.39571029
0.70465722 0.11227999 0.48302202
0.64669825 0.19209077 0.48419686
0.64946898 0.06967406 0.31358896
0.58645578 0.14300234 0.31897746
0.58779165 0.20633833 0.40158543
0.87905233 0.18262932 0.33999593
0.75315135 0.08470971 0.56936982
0.84464160 0.47349905 0.09559048
0.85385343 0.57565984 0.14142515
0.91937452 0.60315627 0.05922078
0.89510706 0.50443528 0.00837338
0.76825832 0.40679229 0.06965666
0.81374932 0.50368926 0.92780559
0.91213452 0.57620186 0.23837161
0.01306417 0.59732624 0.11164174
0.67520102 0.39296976 0.90686643
0.59130579 0.34532522 0.94799034
0.54020727 0.27919333 0.87008822
0.66821173 0.41970080 0.80377025
0.60203949 0.37995189 0.73752840
0.53331289 0.31161636 0.76725103
0.38103494 0.26273789 0.68296885
0.34502102 0.20819121 0.59986030
0.25177281 0.21331597 0.57002702
0.32241041 0.30959818 0.74246742
0.23147455 0.31839820 0.70790532
0.19591608 0.27365080 0.61974489
0.51383236 0.18783693 0.89302435
0.40040401 0.13735917 0.54821570
0.75042077 0.83660101 0.72246560
0.66416844 0.84807892 0.78636922
0.60559828 0.84849134 0.68656523
0.68708412 0.82352976 0.62696486
0.80109334 0.74444578 0.73204741
0.69461175 0.72101548 0.59313271
0.65807040 0.95114678 0.82852352
0.59187209 0.95522761 0.66837089
0.80735442 0.59356087 0.63097904
0.89746569 0.57918016 0.66533871
0.92551889 0.48375200 0.68825976
0.75354733 0.51508874 0.58819551
0.78416177 0.42152947 0.60179075
0.86160159 0.40254190 0.66429141
0.86499881 0.26839940 0.78450458
0.94754749 0.24405720 0.83410780
0.94778671 0.20653736 0.93050450
0.78180620 0.23909013 0.82183326
0.78211132 0.19270974 0.91407190
0.86435214 0.18127682 0.97109361
0.00892946 0.49488465 0.74883125
0.02860681 0.24244375 0.77303956
0.55424060 0.44659061 0.96124585
0.47434399 0.44048215 0.12884269
0.54491336 0.52345113 0.13286474
0.58595222 0.53276511 0.02750387
0.49982742 0.48384507 0.88057533
0.54807571 0.62156226 0.96967425
0.50622014 0.36235365 0.18526290
0.61548752 0.48950943 0.20997691
0.47559536 0.63563848 0.79193465
0.47097970 0.58333300 0.70188387
0.42682449 0.61738333 0.61540963
0.44608463 0.73075503 0.79183671
0.40912722 0.76889690 0.70283263
0.39524369 0.71216320 0.61650482
0.27667063 0.72387649 0.48769350
0.26090235 0.74993229 0.38794853
0.17273311 0.73374344 0.34196611
0.20886096 0.67461118 0.53843318
0.12149695 0.65819548 0.49172614
0.10253980 0.69059426 0.39496182
0.41065258 0.54342066 0.53178730
0.33796105 0.79916232 0.33520722
0.20979546 0.39689746 0.19084600
0.29504683 0.34141188 0.22909789
0.28555187 0.27450010 0.13687208
0.19386154 0.32604945 0.10208637
0.24375213 0.49175093 0.14832642
0.20463390 0.38851680 0.01194085
0.27953225 0.27614461 0.31563436
0.28256530 0.17191063 0.17771264
0.25439347 0.56073277 0.97752091
0.24999537 0.65463714 0.01462813
0.24125812 0.73632001 0.95435657
0.26110137 0.54900956 0.87501655
0.25717236 0.63038015 0.81486359
0.24466342 0.72472466 0.85024207
0.25683206 0.88947076 0.78285996
0.21496006 0.95404180 0.71359233
0.21828767 0.05287096 0.73851208
0.31866306 0.92718860 0.85786803
0.32164501 0.02602777 0.88102201
0.26702241 0.08844004 0.82455715
0.22765179 0.82406714 0.01840387
0.18447429 0.92667175 0.60811249
0.12096613 0.07747551 0.90961580
0.89451558 0.08070642 0.77661140
0.89073379 0.90288734 0.86134506
0.06484766 0.88978925 0.90170779
0.97818051 0.13882466 0.19337549
0.94745249 0.82725745 0.19406665
0.83462847 0.83815787 0.32636565
0.64136945 0.22913974 0.55533186
0.65167201 0.02484851 0.24682179
0.53526726 0.15339659 0.25781523
0.53625370 0.26156533 0.40343165
0.00271514 0.86040143 0.60361577
0.73690277 0.51732318 0.28183445
0.79071824 0.61574546 0.14526864
0.90899843 0.66883357 0.01430683
0.95152461 0.46163381 0.98425289
0.60674657 0.30707795 0.01766284
0.71986728 0.47067216 0.77783423
0.59881285 0.40040621 0.65944973
0.22329705 0.17032649 0.50654023
0.34788420 0.34237119 0.81256989
0.18936754 0.35965150 0.75452964
0.12458180 0.28093646 0.59234644
0.05852396 0.58262316 0.26385929
0.79919539 0.89964596 0.72851819
0.65366986 0.79206737 0.84260979
0.54235271 0.80424700 0.67361180
0.69558947 0.86916573 0.56172442
0.94184797 0.64119508 0.69117291
0.68684919 0.52855880 0.55034385
0.74139523 0.35913649 0.57371016
1.01321526 0.19575566 0.97162549
0.71684778 0.24275965 0.77652203
0.71732487 0.16371196 0.94070296
0.86318216 0.14849596 0.04464910
0.62010385 0.08923031 0.74580691
0.43527851 0.36669490 1.00746985
0.40321094 0.44910772 0.10281194
0.52108210 0.59500792 0.15506805
0.66112954 0.54815591 0.03286391
0.49800311 0.51175391 0.69856588
0.45391484 0.77406811 0.85999595
0.39024868 0.84461550 0.69867493
0.15980556 0.75533823 0.26471720
0.22163457 0.65785724 0.61665015
0.06662389 0.62413777 0.53267286
0.03190300 0.68414357 0.36297560
0.64110853 0.35515328 0.27251060
0.15625989 0.40730409 0.24304102
0.35746290 0.38737627 0.24599439
0.33803215 0.27845160 0.08329193
0.13219302 0.27773414 0.09369109
0.24786437 0.66471382 0.09410322
0.26883052 0.47822622 0.84155636
0.26427054 0.62081663 0.73570164
0.18196244 0.10215499 0.68848587
0.35696092 0.87777211 0.90611624
0.36257893 0.05212764 0.94714633
0.26459215 0.16490282 0.84469873
0.27588367 0.12171478 0.32560308
0.09612220 0.12585012 0.10783750
0.91580370 0.85016374 0.02009703
0.94585508 0.03637744 0.57909691
0.03536546 0.79061067 0.78336920
0.77588783 0.98771888 0.39886398
0.72282341 0.34978773 0.12044923
0.77355547 0.57944561 0.90417180
0.88426807 0.56248541 0.32172642
0.08637222 0.59237556 0.07354878
0.47581168 0.28049415 0.69259654
0.85699780 0.72170723 0.79778252
0.64554911 0.67656306 0.52929815
0.68523445 0.97999254 0.91224132
0.57028045 0.98836734 0.58607730
0.87002143 0.30675176 0.68791447
0.45288054 0.43681809 0.81479894
0.55330794 0.70618426 0.99844316
0.47968650 0.27741909 0.20066807
0.68656435 0.54631530 0.23984277
0.35988668 0.75607161 0.53218525
0.27467629 0.56216355 0.19746069
0.18457281 0.36549546 0.92534751
0.27344536 0.30433040 0.40093325
0.29281142 0.09552287 0.13408616
0.23411508 0.79144463 0.77403823
0.00683828 0.97925773 0.09214219
0.97038540 0.88947411 0.66064851
0.75084156 0.41916860 0.96435657
0.00283535 0.58820636 0.21406439
0.77230605 0.68518344 0.64614273
0.61860921 0.00794785 0.75340031
0.50672998 0.58677723 0.87917865
0.59588517 0.40059475 0.23719652
0.24221516 0.48153260 0.04339184
0.27384874 0.18074471 0.28020394
0.79995802 0.22707350 0.30617763
0.95019372 0.24293964 0.31352622
0.88190557 0.18541941 0.44129982
0.77636666 0.99590158 0.58501599
0.62228693 0.18180123 0.71230391
0.77563088 0.14080900 0.64439356
0.38977968 0.32524548 0.96859629
0.47605976 0.12364264 0.82784690
0.52397910 0.14960328 0.98308281
0.38353215 0.13687585 0.44601988
0.37974649 0.04446252 0.57754439
0.49134498 0.15400240 0.56606538
0.85289610 0.45106753 0.84190768
0.07399807 0.55594486 0.72060855
0.02877993 0.46586921 0.83881625
1.01301666 0.18262766 0.69208800
0.10469928 0.21257168 0.82462071
0.04959053 0.33163123 0.73128746
0.33894288 0.48025300 0.55158051
0.48643392 0.48731546 0.52456740
0.39147648 0.58008151 0.44032205
0.35242571 0.89501021 0.36369338
0.31842803 0.79824867 0.23539899
0.42067093 0.75651384 0.35100900
0.30847605 0.85751877 0.06577918
0.16758053 0.80144233 0.09080840
0.19057900 0.90070634 0.97092677
0.25864749 0.91191544 0.55418271
0.13618007 -0.00270261 0.55976033
0.13113246 0.84193362 0.59687996
No title
1
14.533842 -0.298833 -0.468884
-0.301050 13.739165 -0.037837
-0.474207 -0.034390 13.459530
C H O N F
110 60 25 10 30
Direct configuration= 125
0.07285148 0.03690407 0.95282603
0.92679198 0.01476431 0.75696337
0.94993072 0.93674963 0.82434053
0.02080332 0.94956958 0.92223422
0.06444523 0.05684411 0.05510842
0.97389377 0.91724340 0.01448725
0.94842138 -0.00953732 0.65788541
0.99016937 0.86090770 0.75703892
0.96263861 0.98371949 0.18077037
0.94487437 0.07374310 0.22151504
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No title
1
14.534378 -0.297418 -0.468891
-0.299848 13.736196 -0.039821
-0.474415 -0.036384 13.455210
C H O N F
110 60 25 10 30
Direct configuration= 126
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0.37947747 0.04456130 0.57738315
0.49130298 0.15387126 0.56632679
0.85300564 0.45073464 0.84202296
0.07398212 0.55582883 0.72056301
0.02879754 0.46603889 0.83893673
1.01266936 0.18295026 0.69193606
0.10439896 0.21231513 0.82449017
0.04952471 0.33173038 0.73159505
0.33884955 0.48018499 0.55174188
0.48629529 0.48745819 0.52450428
0.39110336 0.58007514 0.44039943
0.35246331 0.89496031 0.36373521
0.31852020 0.79816448 0.23550321
0.42071762 0.75647923 0.35116711
0.30820513 0.85731902 0.06593319
0.16718901 0.80132961 0.09050384
0.19059927 0.90072201 0.97087583
0.25873456 0.91185170 0.55420380
0.13636935 -0.00259752 0.55957484
0.13105356 0.84205951 0.59663367
No title
1
14.534591 -0.297301 -0.468833
-0.299745 13.736246 -0.039929
-0.474369 -0.036492 13.455276
C H O N F
110 60 25 10 30
Direct configuration= 127
0.07259447 0.03669022 0.95274075
0.92658950 0.01442417 0.75691738
0.94980836 0.93636788 0.82425444
0.02067026 0.94923522 0.92216263
0.06429266 0.05663978 0.05504636
0.97384451 0.91688236 0.01449691
0.94808862 -0.00988385 0.65774152
0.99004402 0.86055037 0.75684043
0.96254605 0.98349423 0.18082677
0.94483174 0.07356885 0.22161792
0.88605689 0.08080666 0.29841655
0.92891381 0.89732140 0.22261672
0.86715640 0.90335266 0.29576455
0.84191935 0.99369005 0.32965767
0.70922880 0.05459496 0.39568231
0.70475831 0.11214130 0.48311249
0.64673452 0.19195935 0.48433400
0.64951141 0.06967091 0.31366148
0.58647943 0.14300188 0.31916180
0.58778078 0.20627148 0.40176544
0.87905175 0.18263358 0.33994328
0.75325931 0.08454283 0.56931355
0.84460273 0.47345620 0.09548508
0.85391459 0.57570771 0.14130270
0.91943712 0.60314731 0.05908804
0.89517754 0.50440593 0.00835919
0.76831140 0.40673537 0.06965456
0.81381380 0.50353907 0.92775322
0.91220567 0.57631324 0.23820606
0.01309683 0.59731000 0.11148379
0.67524141 0.39295405 0.90683837
0.59135180 0.34529685 0.94790995
0.54024747 0.27917916 0.87002622
0.66827470 0.41971483 0.80376500
0.60207077 0.37999373 0.73752422
0.53334501 0.31167596 0.76720775
0.38104638 0.26278453 0.68297917
0.34502687 0.20828535 0.59986606
0.25175258 0.21339396 0.57006996
0.32242084 0.30953465 0.74253801
0.23145207 0.31827445 0.70805800
0.19588718 0.27360817 0.61987657
0.51383667 0.18784344 0.89294002
0.40039040 0.13744600 0.54824226
0.75045105 0.83666733 0.72261186
0.66418322 0.84814220 0.78649308
0.60562865 0.84857143 0.68670198
0.68711129 0.82357828 0.62713993
0.80110739 0.74453434 0.73216404
0.69458845 0.72104104 0.59337782
0.65807869 0.95118754 0.82864750
0.59197706 0.95529376 0.66850248
0.80732611 0.59361307 0.63115057
0.89745223 0.57920828 0.66554901
0.92546556 0.48373645 0.68840336
0.75356257 0.51523438 0.58827599
0.78410903 0.42161310 0.60182979
0.86152236 0.40259904 0.66439690
0.86479887 0.26836896 0.78457130
0.94734609 0.24401692 0.83413247
0.94760229 0.20643994 0.93050580
0.78160004 0.23902160 0.82189093
0.78193177 0.19259584 0.91409934
0.86417443 0.18114022 0.97109193
0.00890116 0.49488964 0.74891277
0.02838840 0.24245165 0.77303156
0.55420243 0.44653804 0.96119584
0.47438378 0.44035129 0.12877298
0.54493823 0.52333020 0.13280068
0.58591794 0.53269573 0.02744715
0.49980574 0.48373401 0.88055841
0.54796142 0.62149143 0.96965564
0.50629148 0.36219813 0.18512112
0.61552174 0.48935038 0.20985872
0.47548848 0.63556610 0.79192749
0.47078340 0.58327159 0.70188949
0.42667410 0.61739172 0.61544351
0.44607861 0.73071250 0.79185356
0.40914465 0.76889432 0.70288033
0.39520136 0.71219557 0.61654702
0.27664551 0.72394301 0.48777167
0.26091562 0.74991116 0.38800736
0.17276698 0.73362718 0.34199542
0.20881492 0.67474105 0.53852794
0.12147565 0.65822525 0.49179353
0.10256599 0.69048527 0.39498115
0.41047576 0.54343634 0.53184398
0.33800000 0.79912307 0.33528704
0.20985839 0.39689903 0.19077558
0.29513519 0.34145348 0.22903084
0.28563519 0.27453437 0.13684273
0.19394515 0.32605467 0.10203110
0.24377557 0.49176469 0.14825197
0.20471734 0.38852632 0.01188133
0.27970912 0.27618702 0.31555087
0.28265335 0.17195375 0.17769903
0.25441127 0.56075486 0.97746590
0.24997602 0.65464261 0.01455155
0.24117957 0.73632179 0.95427381
0.26109892 0.54904329 0.87496755
0.25712748 0.63041036 0.81481524
0.24458900 0.72472767 0.85017874
0.25675761 0.88945728 0.78277680
0.21489226 0.95402662 0.71349756
0.21820223 0.05284259 0.73841776
0.31858882 0.92717842 0.85777392
0.32158082 0.02601457 0.88089091
0.26695174 0.08841918 0.82445224
0.22748995 0.82400245 0.01832399
0.18448022 0.92670657 0.60800534
0.12109011 0.07748315 0.90973851
0.89452545 0.08082899 0.77660236
0.89074966 0.90305783 0.86140307
0.06487419 0.88990227 0.90173658
0.97817451 0.13890930 0.19333242
0.94752939 0.82736023 0.19400841
0.83468984 0.83819526 0.32629083
0.64142471 0.22890007 0.55551373
0.65166870 0.02494194 0.24687367
0.53524455 0.15343094 0.25798138
0.53629299 0.26143002 0.40369100
0.00284332 0.86052173 0.60372515
0.73696221 0.51718912 0.28165306
0.79072756 0.61575455 0.14511139
0.90902555 0.66874069 0.01411190
0.95161690 0.46153809 0.98425715
0.60677695 0.30702017 0.01759828
0.71992106 0.47068371 0.77783958
0.59885688 0.40049408 0.65944980
0.22328612 0.17044812 0.50656960
0.34789387 0.34225303 0.81265340
0.18934270 0.35939763 0.75476259
0.12452420 0.28084019 0.59255312
0.05857762 0.58274600 0.26368594
0.79921721 0.89970210 0.72864126
0.65366362 0.79211956 0.84271933
0.54235908 0.80436947 0.67374045
0.69563891 0.86917374 0.56187543
0.94182266 0.64117622 0.69143040
0.68688160 0.52871749 0.55036592
0.74134548 0.35929227 0.57371305
1.01303355 0.19561758 0.97157956
0.71665763 0.24268714 0.77659328
0.71713997 0.16356971 0.94073642
0.86301528 0.14831085 0.04461599
0.62016647 0.08928145 0.74586291
0.43534790 0.36657208 1.00725712
0.40325793 0.44892614 0.10265936
0.52109536 0.59487493 0.15503778
0.66109512 0.54813385 0.03274788
0.49769578 0.51166532 0.69855922
0.45396857 0.77399744 0.86000185
0.39031814 0.84462090 0.69874006
0.15987697 0.75514730 0.26472793
0.22153881 0.65812014 0.61676730
0.06658590 0.62420848 0.53274112
0.03194585 0.68393798 0.36297064
0.64122896 0.35499936 0.27228214
0.15630496 0.40726621 0.24294996
0.35754275 0.38744968 0.24586751
0.33812474 0.27847100 0.08327263
0.13228463 0.27773692 0.09362000
0.24786107 0.66472397 0.09401647
0.26884902 0.47827931 0.84151528
0.26422287 0.62084731 0.73566876
0.18187432 0.10212094 0.68839889
0.35687343 0.87776689 0.90602415
0.36254001 0.05212018 0.94699561
0.26450979 0.16486282 0.84457198
0.27612122 0.12178769 0.32559779
0.09616644 0.12593733 0.10786191
0.91578731 0.85038191 0.02007244
0.94607922 0.03650786 0.57915863
0.03540465 0.79075314 0.78349204
0.77593326 0.98768809 0.39880179
0.72290844 0.34969868 0.12037022
0.77371916 0.57931889 0.90395903
0.88432371 0.56262075 0.32161006
0.08637661 0.59223806 0.07339369
0.47582590 0.28057503 0.69256638
0.85710112 0.72180430 0.79793455
0.64545013 0.67658559 0.52963055
0.68516058 0.97999453 0.91238100
0.57044497 0.98845028 0.58617206
0.86980516 0.30678570 0.68800520
0.45288192 0.43673000 0.81477546
0.55311910 0.70603634 0.99842875
0.47978600 0.27726076 0.20046152
0.68663361 0.54618311 0.23971044
0.35985759 0.75615107 0.53225819
0.27463379 0.56218549 0.19737169
0.18466605 0.36548993 0.92532944
0.27369965 0.30438808 0.40092776
0.29284008 0.09557517 0.13407966
0.23403569 0.79145438 0.77396961
0.00688128 0.97935515 0.09210679
0.97046900 0.88963644 0.66074490
0.75082649 0.41915384 0.96432022
0.00288068 0.58834070 0.21389326
0.77230111 0.68524338 0.64634010
0.61868653 0.00801018 0.75350404
0.50664201 0.58669211 0.87915934
0.59595602 0.40046829 0.23702923
0.24227251 0.48154484 0.04332985
0.27402924 0.18080353 0.28018371
0.79996564 0.22709011 0.30608998
0.95021532 0.24295591 0.31352182
0.88185747 0.18541357 0.44123077
0.77661228 0.99575440 0.58489085
0.62226266 0.18179386 0.71221590
0.77567611 0.14062694 0.64449882
0.38979570 0.32509626 0.96850985
0.47603106 0.12368627 0.82777905
0.52396126 0.14959873 0.98298897
0.38369654 0.13710404 0.44604839
0.37951205 0.04454819 0.57740888
0.49130878 0.15388768 0.56629307
0.85299078 0.45078187 0.84201025
0.07398389 0.55584541 0.72057095
0.02879482 0.46601598 0.83891879
1.01271232 0.18290653 0.69195295
0.10443690 0.21234386 0.82450439
0.04953344 0.33171692 0.73155706
0.33886191 0.48019368 0.55172002
0.48631527 0.48743916 0.52451215
0.39115179 0.58007607 0.44038844
0.35245928 0.89496797 0.36373119
0.31850891 0.79817643 0.23548977
0.42071293 0.75648383 0.35114722
0.30823840 0.85734527 0.06591678
0.16723570 0.80134421 0.09054051
0.19059763 0.90072090 0.97088368
0.25872332 0.91186124 0.55420142
0.13634376 -0.00261063 0.55959940
0.13106442 0.84204319 0.59666543
No title
1
14.534925 -0.296563 -0.468807
-0.299105 13.735063 -0.040745
-0.474425 -0.037316 13.453717
C H O N F
110 60 25 10 30
Direct configuration= 128
0.07247166 0.03654128 0.95255722
0.92651839 0.01429016 0.75680031
0.94974968 0.93620002 0.82426212
0.02062455 0.94910071 0.92214866
0.06417526 0.05652795 0.05515926
0.97381528 0.91672428 0.01450510
0.94793362 -0.00998467 0.65776099
0.98999605 0.86041601 0.75675072
0.96252095 0.98339150 0.18081568
0.94482726 0.07350656 0.22164408
0.88603558 0.08076588 0.29847424
0.92887451 0.89723858 0.22264119
0.86709455 0.90331038 0.29583963
0.84189235 0.99366829 0.32971144
0.70919837 0.05460480 0.39568454
0.70467099 0.11226247 0.48304889
0.64669942 0.19208125 0.48418471
0.64947854 0.06967310 0.31360685
0.58646489 0.14299342 0.31898008
0.58778402 0.20633946 0.40158965
0.87905543 0.18262098 0.33998854
0.75316361 0.08469195 0.56933607
0.84460254 0.47351277 0.09553603
0.85386570 0.57567801 0.14141772
0.91939816 0.60317204 0.05922641
0.89513995 0.50444422 0.00838277
0.76826763 0.40676940 0.06964424
0.81373975 0.50366030 0.92780639
0.91215014 0.57620954 0.23836095
0.01307225 0.59732879 0.11164112
0.67519759 0.39298126 0.90686047
0.59131533 0.34531987 0.94798054
0.54021569 0.27920485 0.87007997
0.66823821 0.41970917 0.80378007
0.60203409 0.37995002 0.73751082
0.53331699 0.31161633 0.76724842
0.38103288 0.26275062 0.68298489
0.34502340 0.20819077 0.59985893
0.25176830 0.21332730 0.57004833
0.32241961 0.30959105 0.74245779
0.23147668 0.31840032 0.70792437
0.19592124 0.27363460 0.61974648
0.51383080 0.18782469 0.89302664
0.40040108 0.13735563 0.54823342
0.75042641 0.83660158 0.72246791
0.66417133 0.84807992 0.78636634
0.60560569 0.84849285 0.68656662
0.68709450 0.82353337 0.62697205
0.80111908 0.74443341 0.73207271
0.69459332 0.72099144 0.59311407
0.65807561 0.95114650 0.82852641
0.59188130 0.95522563 0.66837007
0.80734715 0.59354439 0.63098369
0.89747658 0.57918626 0.66535830
0.92550742 0.48373240 0.68826531
0.75355719 0.51511780 0.58820119
0.78415246 0.42151587 0.60178558
0.86160803 0.40255394 0.66430865
0.86501113 0.26839210 0.78452218
0.94750602 0.24405555 0.83409497
0.94778933 0.20652962 0.93051518
0.78176231 0.23908642 0.82183883
0.78211991 0.19269764 0.91409565
0.86431118 0.18127059 0.97108649
0.00892792 0.49488818 0.74885367
0.02858579 0.24243180 0.77303616
0.55424177 0.44659382 0.96123643
0.47434875 0.44046925 0.12883039
0.54491746 0.52344088 0.13285778
0.58594928 0.53276193 0.02750153
0.49983010 0.48383073 0.88056905
0.54806663 0.62159246 0.96968271
0.50622613 0.36234020 0.18525971
0.61548039 0.48948842 0.20996813
0.47559003 0.63564259 0.79193082
0.47096281 0.58333076 0.70187995
0.42681634 0.61738437 0.61541633
0.44608612 0.73075485 0.79183025
0.40913147 0.76889766 0.70283822
0.39524228 0.71216342 0.61650146
0.27666916 0.72388027 0.48770934
0.26090196 0.74993840 0.38794874
0.17273493 0.73373872 0.34198135
0.20885893 0.67462731 0.53842975
0.12149909 0.65819719 0.49174163
0.10254321 0.69059200 0.39496082
0.41064591 0.54342283 0.53178956
0.33796842 0.79916501 0.33522112
0.20979597 0.39689855 0.19084205
0.29504626 0.34141578 0.22909551
0.28555609 0.27450746 0.13687088
0.19386533 0.32605137 0.10208021
0.24375238 0.49176646 0.14833298
0.20464093 0.38852546 0.01192149
0.27953470 0.27614629 0.31563176
0.28256892 0.17188284 0.17769101
0.25439742 0.56075334 0.97753327
0.24999830 0.65463424 0.01462476
0.24125581 0.73632894 0.95435819
0.26110469 0.54900953 0.87501597
0.25716935 0.63040060 0.81486787
0.24465974 0.72472310 0.85024087
0.25682305 0.88947315 0.78284917
0.21495806 0.95403704 0.71359593
0.21827616 0.05287216 0.73850096
0.31866819 0.92718950 0.85787076
0.32163744 0.02603508 0.88100346
0.26702938 0.08843875 0.82456152
0.22763089 0.82406452 0.01839947
0.18447315 0.92667814 0.60810973
0.12093823 0.07744165 0.90966021
0.89449531 0.08072632 0.77662141
0.89071946 0.90288225 0.86135176
0.06484651 0.88979322 0.90171304
0.97817712 0.13882378 0.19337152
0.94745139 0.82726640 0.19405706
0.83463333 0.83816396 0.32635703
0.64136783 0.22912230 0.55533382
0.65167410 0.02484973 0.24682344
0.53526773 0.15339786 0.25781483
0.53625952 0.26154465 0.40343387
0.00274501 0.86039846 0.60359573
0.73690262 0.51732359 0.28181836
0.79070464 0.61573447 0.14525977
0.90899762 0.66882596 0.01430187
0.95155617 0.46161661 0.98422802
0.60674911 0.30707758 0.01766388
0.71987172 0.47066686 0.77783379
0.59882026 0.40040549 0.65945707
0.22329734 0.17032419 0.50655360
0.34789080 0.34237525 0.81257558
0.18937223 0.35963561 0.75453683
0.12457920 0.28092118 0.59236672
0.05852479 0.58262895 0.26385018
0.79920036 0.89964325 0.72851953
0.65366949 0.79206763 0.84260433
0.54235828 0.80425259 0.67360770
0.69560410 0.86916594 0.56172882
0.94184292 0.64118662 0.69118369
0.68685083 0.52856383 0.55034016
0.74139832 0.35915177 0.57371552
1.01319202 0.19574072 0.97161520
0.71684036 0.24275613 0.77654617
0.71730267 0.16370013 0.94071614
0.86317315 0.14848609 0.04465261
0.62010692 0.08922807 0.74580720
0.43528439 0.36669497 1.00746676
0.40321263 0.44909815 0.10281195
0.52108073 0.59499971 0.15506281
0.66112717 0.54816072 0.03285258
0.49797925 0.51175257 0.69856643
0.45392226 0.77406502 0.85999221
0.39025485 0.84461409 0.69867495
0.15981026 0.75533873 0.26472620
0.22163004 0.65786765 0.61665345
0.06662277 0.62414216 0.53267619
0.03190782 0.68413181 0.36298197
0.64112066 0.35515050 0.27249968
0.15625256 0.40729743 0.24302947
0.35746065 0.38738138 0.24598847
0.33804075 0.27845623 0.08329421
0.13219860 0.27773853 0.09367795
0.24786882 0.66472183 0.09410779
0.26883280 0.47824350 0.84156399
0.26426602 0.62082797 0.73570668
0.18195641 0.10215011 0.68848623
0.35695727 0.87777611 0.90610423
0.36258334 0.05212997 0.94713757
0.26458709 0.16490224 0.84469015
0.27589537 0.12171736 0.32559979
0.09612359 0.12587746 0.10784659
0.91580965 0.85019131 0.02008527
0.94588328 0.03638994 0.57909495
0.03535986 0.79061311 0.78337057
0.77589185 0.98771036 0.39886226
0.72281868 0.34976046 0.12044496
0.77357514 0.57943856 0.90416209
0.88426314 0.56249099 0.32173144
0.08636629 0.59236554 0.07354842
0.47582515 0.28049162 0.69260274
0.85697375 0.72170496 0.79776247
0.64556585 0.67657979 0.52933905
0.68522690 0.97998251 0.91223264
0.57029948 0.98837410 0.58607957
0.86999972 0.30675899 0.68792692
0.45289215 0.43681985 0.81479399
0.55329025 0.70613669 0.99843247
0.47969764 0.27741803 0.20066235
0.68657583 0.54631056 0.23983839
0.35988982 0.75607765 0.53218940
0.27465581 0.56215645 0.19745903
0.18459523 0.36551461 0.92536088
0.27345278 0.30432624 0.40092819
0.29280139 0.09555760 0.13409711
0.23411039 0.79145216 0.77404339
0.00684395 0.97925686 0.09210161
0.97038626 0.88949336 0.66066442
0.75081212 0.41917424 0.96434112
0.00283161 0.58821562 0.21405099
0.77230621 0.68518770 0.64615921
0.61861104 0.00794618 0.75340184
0.50672886 0.58677089 0.87917714
0.59589195 0.40059801 0.23717741
0.24221819 0.48153894 0.04339238
0.27386326 0.18075277 0.28019783
0.79995923 0.22707462 0.30616562
0.95020005 0.24293457 0.31353017
0.88189682 0.18541704 0.44129246
0.77638077 0.99588936 0.58501554
0.62229212 0.18179377 0.71229825
0.77564791 0.14084523 0.64440759
0.38978715 0.32524246 0.96859533
0.47606430 0.12364997 0.82785276
0.52397899 0.14961567 0.98307950
0.38353586 0.13686656 0.44604196
0.37972896 0.04446740 0.57756869
0.49133489 0.15398705 0.56608146
0.85289838 0.45107588 0.84193283
0.07398510 0.55593635 0.72062660
0.02877750 0.46587477 0.83880997
1.01298311 0.18264690 0.69207228
0.10466308 0.21252401 0.82458852
0.04958913 0.33162721 0.73132416
0.33894475 0.48025425 0.55158292
0.48643512 0.48732476 0.52456134
0.39145397 0.58008114 0.44032435
0.35243401 0.89501131 0.36370550
0.31844194 0.79825172 0.23541503
0.42068062 0.75651470 0.35102374
0.30843828 0.85750706 0.06581182
0.16752672 0.80143811 0.09076497
0.19058788 0.90071335 0.97093429
0.25865429 0.91192123 0.55418694
0.13618810 -0.00269528 0.55975648
0.13113429 0.84194689 0.59686287
No title
1
14.535011 -0.296489 -0.468731
-0.299047 13.734805 -0.040894
-0.474374 -0.037464 13.453291
C H O N F
110 60 25 10 30
Direct configuration= 129
0.07243975 0.03654421 0.95264151
0.92648847 0.01426544 0.75685348
0.94974114 0.93618173 0.82421936
0.02059513 0.94905220 0.92212557
0.06417154 0.05649549 0.05506586
0.97380708 0.91668187 0.01449481
0.94791038 -0.01001025 0.65768084
0.98999126 0.86036790 0.75674100
0.96250305 0.98337604 0.18083968
0.94481514 0.07347357 0.22165903
0.88604511 0.08076132 0.29847059
0.92884910 0.89723014 0.22266526
0.86710200 0.90330191 0.29583247
0.84188036 0.99366044 0.32972970
0.70917262 0.05462395 0.39567567
0.70467481 0.11226451 0.48305267
0.64668457 0.19212396 0.48415866
0.64948913 0.06964454 0.31358226
0.58646928 0.14300802 0.31897003
0.58776094 0.20636549 0.40152850
0.87905354 0.18261697 0.34000323
0.75312740 0.08472959 0.56930801
0.84458077 0.47349145 0.09553441
0.85386625 0.57567742 0.14145067
0.91939480 0.60318493 0.05925440
0.89512799 0.50447026 0.00839711
0.76824620 0.40676040 0.06968114
0.81372345 0.50368872 0.92781805
0.91214611 0.57619035 0.23836535
0.01306520 0.59732988 0.11167444
0.67518735 0.39298678 0.90687293
0.59130915 0.34533256 0.94798211
0.54019951 0.27918218 0.87010572
0.66821624 0.41969931 0.80376939
0.60203202 0.37993658 0.73754087
0.53332421 0.31161616 0.76725146
0.38103691 0.26272911 0.68296690
0.34503051 0.20817742 0.59987110
0.25177028 0.21329900 0.57002719
0.32241662 0.30961566 0.74245751
0.23147922 0.31841998 0.70787712
0.19592616 0.27365481 0.61973454
0.51383628 0.18784896 0.89303553
0.40040908 0.13733493 0.54822948
0.75042352 0.83658901 0.72243531
0.66416886 0.84806757 0.78633354
0.60559954 0.84847455 0.68653433
0.68709134 0.82352071 0.62693405
0.80106837 0.74443395 0.73199162
0.69462794 0.72100177 0.59309374
0.65807425 0.95113554 0.82849575
0.59186712 0.95519932 0.66836736
0.80734396 0.59352900 0.63094103
0.89748501 0.57918323 0.66531394
0.92553145 0.48372864 0.68824455
0.75356137 0.51509605 0.58818725
0.78415720 0.42148494 0.60177230
0.86162898 0.40254745 0.66428765
0.86502087 0.26839958 0.78450378
0.94757093 0.24405513 0.83410511
0.94780566 0.20655055 0.93050832
0.78182755 0.23910180 0.82183653
0.78213483 0.19272679 0.91407298
0.86437923 0.18129822 0.97110084
0.00892222 0.49488999 0.74882332
0.02862622 0.24242423 0.77302362
0.55424418 0.44661586 0.96123670
0.47434472 0.44049574 0.12884605
0.54491480 0.52346372 0.13286864
0.58595618 0.53277631 0.02751682
0.49984005 0.48383561 0.88057807
0.54809306 0.62162055 0.96969316
0.50621327 0.36236950 0.18529465
0.61546131 0.48949633 0.20999709
0.47561287 0.63565786 0.79192583
0.47100617 0.58334086 0.70187962
0.42684834 0.61738416 0.61540815
0.44608809 0.73077019 0.79183119
0.40912812 0.76889631 0.70282550
0.39525386 0.71215536 0.61649571
0.27667716 0.72387081 0.48768407
0.26090332 0.74994315 0.38794560
0.17272466 0.73376706 0.34196905
0.20887236 0.67459786 0.53842046
0.12149877 0.65819297 0.49171802
0.10253800 0.69061302 0.39496608
0.41068483 0.54341794 0.53178518
0.33796031 0.79917616 0.33520441
0.20978169 0.39690101 0.19085786
0.29502544 0.34140563 0.22911120
0.28553729 0.27449980 0.13687997
0.19384572 0.32604957 0.10209049
0.24373994 0.49175075 0.14834143
0.20462593 0.38853080 0.01193959
0.27949705 0.27612625 0.31561211
0.28254622 0.17190169 0.17771124
0.25439482 0.56073778 0.97753849
0.25000279 0.65464346 0.01465175
0.24127360 0.73633210 0.95437494
0.26110473 0.54901611 0.87503285
0.25718055 0.63038622 0.81487858
0.24467560 0.72472763 0.85026315
0.25684721 0.88947054 0.78288095
0.21496904 0.95404563 0.71360845
0.21829895 0.05287475 0.73852828
0.31867933 0.92719392 0.85788414
0.32165701 0.02603231 0.88103659
0.26703996 0.08845381 0.82457931
0.22766389 0.82407713 0.01841484
0.18446344 0.92667069 0.60813538
0.12090915 0.07743483 0.90962960
0.89449386 0.08069338 0.77661804
0.89070174 0.90283758 0.86134532
0.06484266 0.88975910 0.90170407
0.97818037 0.13881113 0.19337887
0.94743528 0.82723623 0.19406489
0.83461748 0.83815253 0.32637498
0.64135522 0.22917079 0.55528658
0.65167475 0.02483677 0.24682461
0.53526284 0.15339207 0.25776285
0.53626475 0.26155835 0.40337479
0.00272042 0.86037409 0.60357132
0.73688473 0.51735640 0.28185354
0.79069325 0.61573289 0.14529435
0.90899135 0.66884009 0.01434943
0.95154919 0.46162848 0.98421804
0.60674470 0.30708624 0.01768672
0.71986275 0.47066484 0.77783206
0.59881111 0.40038836 0.65944419
0.22330246 0.17029934 0.50655636
0.34788843 0.34240079 0.81255096
0.18937754 0.35969298 0.75448695
0.12459300 0.28093887 0.59232324
0.05851309 0.58260150 0.26388954
0.79919434 0.89962614 0.72849061
0.65367035 0.79205452 0.84257823
0.54235916 0.80422603 0.67357674
0.69559674 0.86916455 0.56169449
0.94184701 0.64118734 0.69112585
0.68684232 0.52852773 0.55033310
0.74141288 0.35912231 0.57371752
1.01323663 0.19576823 0.97162782
0.71687609 0.24277247 0.77653148
0.71734500 0.16373161 0.94071158
0.86320796 0.14852880 0.04465648
0.62009328 0.08921466 0.74579477
0.43527015 0.36672430 1.00751627
0.40319940 0.44913860 0.10284687
0.52107605 0.59503154 0.15506905
0.66113491 0.54816737 0.03287682
0.49804391 0.51177571 0.69856827
0.45391117 0.77407847 0.85998595
0.39024023 0.84461275 0.69866006
0.15979550 0.75538225 0.26473000
0.22165039 0.65781015 0.61662112
0.06663173 0.62412675 0.53266176
0.03189964 0.68417716 0.36298450
0.64110247 0.35517834 0.27255500
0.15624021 0.40730441 0.24304741
0.35744112 0.38736527 0.24601631
0.33802198 0.27845333 0.08329867
0.13217987 0.27774101 0.09369140
0.24787083 0.66472067 0.09412420
0.26882967 0.47823065 0.84157347
0.26427568 0.62082443 0.73571752
0.18197327 0.10215934 0.68850383
0.35697829 0.87777661 0.90612448
0.36259224 0.05213225 0.94716852
0.26460558 0.16490712 0.84471675
0.27584288 0.12170238 0.32559957
0.09610717 0.12585703 0.10784998
0.91582425 0.85015847 0.02009216
0.94583606 0.03634753 0.57911233
0.03534754 0.79058562 0.78334239
0.77588774 0.98771131 0.39887562
0.72282361 0.34980609 0.12043122
0.77354204 0.57946630 0.90421047
0.88424021 0.56245664 0.32178570
0.08635755 0.59239645 0.07358953
0.47581427 0.28046782 0.69260894
0.85699298 0.72166151 0.79778124
0.64556853 0.67655687 0.52923832
0.68524259 0.97998007 0.91219858
0.57026010 0.98836580 0.58603587
0.87004604 0.30674986 0.68791050
0.45289643 0.43684603 0.81480144
0.55332846 0.70615331 0.99842987
0.47967698 0.27745745 0.20070776
0.68657188 0.54634405 0.23987298
0.35989419 0.75606056 0.53217114
0.27466562 0.56216159 0.19748740
0.18457718 0.36551787 0.92536107
0.27339266 0.30432231 0.40096130
0.29279517 0.09552426 0.13408435
0.23412741 0.79145635 0.77405688
0.00683085 0.97923020 0.09211394
0.97036346 0.88946934 0.66064617
0.75080514 0.41917789 0.96434326
0.00281928 0.58818735 0.21408530
0.77230263 0.68517250 0.64610943
0.61859235 0.00793167 0.75337484
0.50674895 0.58679718 0.87918017
0.59586931 0.40065470 0.23719882
0.24220630 0.48154005 0.04340912
0.27382411 0.18073595 0.28020001
0.79995803 0.22707104 0.30618259
0.95019772 0.24292935 0.31353135
0.88190628 0.18541821 0.44130490
0.77632830 0.99591175 0.58504572
0.62229956 0.18179298 0.71231691
0.77564694 0.14090942 0.64440364
0.38978456 0.32527595 0.96861482
0.47607134 0.12363879 0.82786990
0.52398336 0.14961645 0.98310552
0.38349865 0.13680985 0.44604319
0.37977971 0.04444866 0.57760612
0.49133432 0.15400854 0.56603135
0.85287729 0.45114398 0.84191454
0.07398448 0.55595588 0.72064184
0.02877563 0.46584058 0.83879204
1.01304827 0.18259359 0.69210841
0.10471496 0.21256569 0.82460855
0.04960273 0.33160269 0.73127224
0.33896525 0.48026898 0.55155010
0.48646386 0.48729821 0.52457177
0.39152343 0.58008404 0.44030440
0.35242797 0.89502046 0.36369958
0.31842716 0.79826955 0.23539932
0.42067350 0.75652144 0.35099569
0.30848089 0.85754435 0.06578740
0.16759488 0.80146204 0.09081559
0.19058668 0.90071021 0.97094880
0.25864093 0.91193498 0.55418223
0.13615435 -0.00271661 0.55979523
0.13115411 0.84192775 0.59690910
No title
1
14.535214 -0.295953 -0.468752
-0.298591 13.733840 -0.041731
-0.474468 -0.038303 13.451750
C H O N F
110 60 25 10 30
Direct configuration= 130
0.07235475 0.03649553 0.95266974
0.92640288 0.01412246 0.75690862
0.94969226 0.93605459 0.82413174
0.02051880 0.94891473 0.92208718
0.06413995 0.05646172 0.05501029
0.97382370 0.91657952 0.01448311
0.94780594 -0.01021148 0.65763833
0.98990629 0.86029128 0.75663756
0.96245613 0.98329632 0.18088303
0.94480245 0.07340954 0.22169120
0.88603505 0.08072255 0.29851171
0.92880035 0.89714580 0.22269683
0.86705465 0.90325565 0.29588995
0.84185483 0.99364306 0.32978046
0.70911496 0.05464676 0.39564012
0.70460513 0.11236365 0.48299905
0.64663412 0.19225492 0.48400130
0.64948727 0.06960756 0.31352702
0.58647437 0.14301289 0.31883821
0.58773067 0.20645708 0.40135452
0.87905776 0.18259586 0.34004571
0.75303203 0.08486857 0.56931774
0.84452345 0.47344079 0.09556035
0.85384415 0.57566262 0.14156282
0.91937507 0.60322343 0.05938210
0.89507466 0.50454432 0.00843912
0.76826669 0.40685592 0.06970439
0.81366168 0.50380027 0.92787535
0.91208424 0.57608667 0.23853850
0.01301541 0.59734056 0.11181583
0.67515186 0.39301576 0.90690365
0.59128035 0.34536088 0.94802834
0.54017097 0.27921605 0.87016151
0.66818653 0.41969443 0.80378986
0.60199146 0.37988480 0.73754470
0.53330574 0.31156606 0.76728178
0.38102503 0.26269768 0.68297471
0.34503128 0.20808355 0.59986321
0.25178208 0.21323742 0.57000850
0.32241200 0.30966918 0.74237612
0.23150491 0.31854197 0.70775540
0.19595720 0.27367849 0.61960777
0.51382355 0.18781228 0.89311465
0.40042969 0.13725183 0.54822242
0.75040321 0.83653684 0.72229724
0.66415813 0.84801018 0.78620695
0.60557786 0.84839603 0.68640546
0.68707933 0.82348176 0.62677851
0.80101192 0.74436942 0.73182793
0.69464380 0.72093884 0.59284555
0.65806578 0.95108628 0.82835988
0.59177304 0.95514432 0.66822565
0.80735641 0.59346626 0.63077462
0.89750775 0.57916271 0.66512858
0.92559933 0.48372184 0.68813670
0.75356079 0.51498512 0.58811735
0.78419529 0.42138657 0.60173074
0.86170932 0.40251253 0.66419827
0.86521769 0.26842014 0.78446087
0.94772674 0.24409171 0.83406517
0.94798398 0.20663022 0.93052338
0.78197709 0.23916528 0.82178291
0.78231698 0.19282864 0.91406641
0.86451321 0.18141907 0.97110049
0.00893021 0.49488477 0.74874635
0.02880833 0.24239809 0.77300787
0.55426564 0.44669237 0.96125066
0.47431438 0.44059945 0.12890783
0.54490163 0.52356067 0.13291681
0.58598415 0.53283840 0.02757697
0.49988790 0.48391227 0.88062354
0.54819049 0.62163303 0.96969341
0.50614465 0.36251656 0.18541699
0.61543383 0.48967061 0.21009258
0.47570785 0.63572945 0.79192052
0.47117733 0.58339181 0.70186467
0.42698576 0.61737777 0.61538488
0.44609401 0.73081766 0.79181010
0.40911768 0.76890034 0.70279050
0.39529440 0.71212033 0.61645341
0.27670122 0.72381119 0.48762777
0.26088943 0.74997019 0.38788807
0.17269323 0.73387426 0.34195679
0.20891381 0.67448951 0.53832757
0.12152189 0.65816609 0.49166983
0.10251376 0.69071555 0.39494431
0.41084401 0.54340315 0.53175176
0.33793028 0.79921996 0.33514222
0.20972142 0.39690244 0.19092120
0.29494037 0.34136922 0.22917409
0.28546120 0.27447445 0.13691376
0.19376821 0.32604568 0.10213652
0.24372528 0.49177210 0.14842919
0.20455247 0.38853144 0.01196705
0.27933600 0.27606044 0.31559900
0.28246359 0.17185484 0.17772227
0.25438210 0.56073509 0.97760722
0.25002418 0.65463416 0.01472300
0.24134584 0.73635016 0.95445948
0.26111090 0.54898410 0.87507736
0.25722103 0.63037914 0.81492827
0.24474399 0.72471919 0.85032727
0.25691221 0.88948099 0.78295649
0.21503064 0.95405379 0.71369410
0.21837108 0.05290288 0.73860890
0.31875528 0.92719992 0.85797568
0.32170859 0.02605337 0.88114044
0.26711604 0.08847952 0.82468913
0.22779590 0.82413694 0.01847817
0.18443934 0.92664210 0.60823947
0.12074377 0.07737429 0.90955746
0.89445971 0.08060622 0.77663091
0.89065215 0.90266733 0.86130584
0.06482606 0.88963067 0.90166753
0.97818282 0.13872916 0.19341668
0.94736100 0.82714265 0.19410974
0.83456592 0.83812494 0.32643568
0.64130062 0.22938228 0.55511417
0.65168015 0.02475971 0.24679493
0.53526721 0.15336373 0.25758033
0.53625825 0.26164102 0.40312908
0.00261748 0.86026908 0.60346938
0.73682669 0.51748558 0.28201038
0.79065868 0.61572137 0.14543693
0.90896503 0.66890869 0.01453807
0.95150486 0.46169056 0.98418513
0.60672028 0.30713413 0.01776001
0.71981442 0.47064705 0.77782592
0.59877602 0.40030637 0.65943816
0.22331426 0.17018049 0.50654409
0.34788630 0.34251910 0.81247715
0.18940742 0.35991861 0.75426894
0.12464873 0.28101476 0.59214821
0.05846004 0.58248896 0.26405031
0.79917376 0.89956047 0.72837270
0.65367508 0.79200286 0.84246804
0.54236097 0.80411575 0.67344889
0.69556558 0.86915771 0.56155342
0.94186508 0.64119438 0.69089007
0.68681327 0.52838148 0.55030776
0.74146476 0.35899014 0.57372080
1.01338538 0.19588533 0.97166031
0.71705436 0.24283808 0.77649140
0.71749632 0.16385409 0.94069533
0.86335804 0.14869686 0.04469085
0.62003620 0.08916243 0.74574061
0.43521041 0.36684349 1.00771839
0.40315329 0.44930314 0.10299267
0.52105967 0.59515607 0.15509500
0.66116636 0.54819362 0.03297610
0.49831171 0.51186478 0.69857542
0.45386664 0.77414102 0.85997109
0.39018036 0.84460470 0.69859738
0.15973268 0.75556541 0.26473122
0.22173714 0.65756944 0.61650973
0.06666819 0.62406439 0.53259927
0.03186779 0.68436246 0.36299801
0.64099021 0.35533258 0.27275611
0.15618895 0.40733360 0.24312221
0.35736096 0.38729993 0.24613092
0.33794342 0.27844029 0.08331788
0.13209919 0.27774515 0.09374547
0.24787901 0.66471926 0.09421169
0.26881431 0.47819858 0.84162194
0.26431626 0.62080701 0.73575660
0.18204984 0.10218856 0.68858609
0.35705765 0.87778675 0.90619894
0.36263472 0.05214260 0.94730394
0.26467960 0.16494034 0.84482774
0.27562734 0.12163539 0.32560001
0.09601872 0.12571412 0.10779133
0.91581678 0.84994594 0.02012106
0.94564376 0.03627823 0.57900275
0.03534707 0.79038952 0.78325764
0.77585205 0.98772674 0.39893433
0.72273648 0.34986260 0.12049392
0.77340009 0.57958826 0.90440440
0.88418711 0.56233693 0.32187857
0.08635002 0.59252009 0.07374422
0.47581092 0.28038675 0.69264498
0.85693845 0.72153949 0.79769965
0.64568190 0.67655560 0.52895912
0.68531130 0.97997414 0.91207169
0.57012854 0.98828463 0.58596596
0.87022938 0.30672052 0.68783970
0.45289850 0.43692753 0.81480814
0.55349227 0.70631759 0.99845429
0.47959388 0.27760510 0.20090161
0.68650968 0.54645880 0.23999173
0.35992094 0.75599249 0.53210095
0.27467558 0.56211503 0.19755798
0.18451351 0.36554437 0.92540307
0.27315015 0.30428811 0.40104128
0.29275847 0.09549118 0.13409042
0.23419944 0.79146392 0.77412554
0.00677806 0.97910464 0.09212345
0.97027798 0.88935764 0.66055309
0.75076982 0.41918679 0.96434472
0.00277585 0.58807140 0.21422593
0.77229698 0.68511906 0.64592199
0.61851907 0.00786927 0.75327523
0.50683282 0.58688932 0.87919745
0.59581364 0.40073486 0.23735897
0.24215373 0.48153351 0.04347059
0.27366343 0.18068327 0.28021187
0.79995005 0.22705816 0.30625282
0.95018758 0.24291096 0.31353796
0.88194387 0.18542199 0.44136295
0.77611140 0.99602817 0.58516307
0.62232933 0.18179146 0.71239595
0.77562761 0.14113864 0.64433496
0.38977568 0.32541544 0.96869647
0.47610916 0.12361261 0.82795064
0.52399965 0.14963540 0.98318893
0.38334508 0.13657818 0.44604443
0.37998636 0.04437279 0.57776006
0.49134598 0.15409843 0.56582633
0.85279085 0.45142224 0.84183749
0.07398482 0.55604366 0.72069975
0.02876081 0.46570582 0.83869308
1.01330852 0.18236027 0.69223596
0.10492924 0.21273473 0.82468585
0.04965647 0.33150666 0.73105643
0.33904781 0.48032746 0.55141759
0.48658183 0.48718976 0.52461569
0.39180989 0.58009273 0.44023141
0.35240359 0.89505937 0.36367514
0.31836510 0.79834231 0.23533197
0.42064400 0.75655006 0.35087969
0.30865943 0.85769618 0.06568952
0.16787294 0.80155758 0.09102267
0.19058171 0.90069633 0.97100674
0.25858132 0.91199226 0.55416518
0.13601040 -0.00279917 0.55994847
0.13122961 0.84184295 0.59709844
No title
1
14.535234 -0.295809 -0.468708
-0.298467 13.733476 -0.041840
-0.474442 -0.038414 13.451395
C H O N F
110 60 25 10 30
Direct configuration= 131
0.07233392 0.03646123 0.95261216
0.92639180 0.01410155 0.75685941
0.94967755 0.93601021 0.82415476
0.02052544 0.94890630 0.92209051
0.06410143 0.05641066 0.05502011
0.97378290 0.91651459 0.01449818
0.94776950 -0.01019484 0.65761263
0.98993619 0.86020130 0.75664669
0.96245356 0.98327152 0.18087457
0.94480064 0.07340163 0.22169867
0.88603005 0.08071669 0.29852425
0.92878847 0.89713114 0.22270757
0.86704480 0.90324964 0.29590181
0.84185042 0.99363631 0.32978954
0.70911802 0.05464358 0.39564841
0.70458743 0.11238657 0.48298567
0.64662894 0.19227868 0.48397864
0.64947403 0.06961308 0.31351270
0.58646915 0.14301122 0.31880047
0.58773463 0.20646308 0.40131838
0.87905859 0.18259351 0.34005295
0.75301412 0.08489840 0.56932043
0.84454080 0.47347117 0.09557420
0.85383386 0.57565287 0.14158690
0.91936404 0.60322532 0.05941102
0.89507210 0.50454718 0.00844277
0.76821931 0.40681923 0.06971840
0.81364191 0.50382870 0.92787942
0.91208699 0.57607334 0.23852973
0.01302206 0.59734209 0.11184321
0.67514279 0.39301855 0.90690855
0.59127408 0.34536696 0.94804247
0.54015901 0.27920201 0.87017397
0.66817332 0.41968959 0.80378657
0.60199267 0.37988201 0.73754735
0.53330044 0.31155546 0.76729333
0.38102458 0.26268509 0.68296680
0.34503307 0.20807017 0.59986856
0.25178596 0.21321917 0.56999812
0.32241248 0.30968525 0.74237089
0.23150669 0.31856028 0.70772128
0.19596390 0.27368978 0.61959317
0.51383052 0.18783438 0.89312766
0.40042830 0.13723442 0.54822056
0.75039634 0.83652435 0.72226820
0.66415495 0.84799788 0.78618295
0.60557421 0.84838270 0.68637807
0.68707528 0.82347117 0.62674438
0.80104961 0.74433178 0.73184956
0.69465634 0.72094873 0.59281422
0.65806921 0.95108470 0.82834999
0.59176355 0.95511773 0.66822957
0.80736092 0.59345254 0.63074358
0.89751458 0.57915784 0.66509396
0.92560013 0.48372014 0.68810638
0.75355999 0.51496434 0.58810326
0.78420271 0.42136784 0.60172159
0.86172823 0.40250159 0.66418559
0.86524360 0.26842496 0.78444991
0.94776544 0.24409391 0.83406771
0.94800830 0.20664806 0.93051906
0.78201883 0.23917714 0.82177929
0.78233924 0.19284894 0.91405918
0.86455158 0.18144276 0.97110405
0.00894393 0.49488678 0.74874385
0.02884381 0.24239500 0.77300972
0.55427712 0.44669858 0.96126417
0.47430665 0.44062533 0.12891657
0.54489736 0.52358400 0.13292771
0.58598948 0.53284916 0.02758438
0.49987919 0.48392181 0.88060466
0.54821418 0.62172795 0.96972236
0.50613914 0.36253071 0.18545184
0.61541200 0.48965067 0.21012149
0.47572630 0.63574582 0.79191970
0.47121134 0.58340295 0.70186583
0.42701144 0.61737742 0.61537819
0.44609604 0.73082463 0.79180644
0.40911468 0.76890010 0.70277988
0.39530243 0.71211583 0.61644648
0.27670526 0.72380163 0.48761020
0.26088893 0.74997444 0.38788280
0.17268583 0.73389626 0.34195060
0.20892371 0.67446749 0.53831440
0.12152349 0.65816222 0.49165412
0.10251128 0.69073370 0.39494654
0.41087477 0.54340045 0.53173915
0.33792435 0.79922749 0.33513001
0.20970967 0.39690382 0.19093351
0.29492318 0.34136266 0.22918347
0.28544716 0.27446925 0.13691698
0.19375426 0.32604609 0.10214514
0.24370927 0.49174549 0.14842797
0.20454245 0.38853655 0.01199170
0.27929909 0.27607071 0.31567480
0.28244838 0.17184014 0.17771586
0.25437975 0.56072889 0.97761467
0.25002799 0.65463941 0.01473982
0.24136063 0.73634844 0.95447353
0.26111143 0.54898472 0.87508980
0.25722944 0.63037226 0.81493866
0.24475687 0.72472281 0.85034220
0.25692622 0.88948321 0.78297277
0.21504210 0.95405850 0.71371176
0.21838650 0.05290667 0.73862665
0.31876779 0.92720526 0.85799067
0.32172219 0.02605369 0.88116456
0.26712729 0.08848421 0.82470520
0.22782033 0.82414754 0.01849286
0.18444076 0.92663773 0.60825918
0.12070967 0.07736178 0.90954834
0.89445170 0.08059022 0.77663676
0.89065097 0.90263624 0.86129359
0.06481888 0.88961132 0.90166145
0.97818302 0.13871318 0.19342370
0.94734719 0.82712368 0.19411678
0.83455509 0.83811834 0.32644802
0.64128998 0.22942243 0.55507821
0.65168170 0.02474144 0.24678455
0.53527493 0.15335685 0.25755246
0.53624878 0.26166551 0.40308096
0.00260002 0.86024531 0.60344496
0.73681291 0.51751133 0.28203886
0.79065541 0.61571644 0.14546335
0.90895991 0.66892511 0.01457313
0.95148928 0.46170844 0.98418212
0.60671525 0.30714634 0.01777109
0.71980655 0.47064485 0.77782440
0.59876925 0.40028965 0.65943885
0.22331722 0.17015870 0.50654400
0.34788506 0.34254065 0.81245902
0.18941212 0.35996411 0.75422852
0.12465862 0.28102914 0.59211332
0.05845003 0.58246732 0.26407998
0.79917153 0.89955011 0.72835013
0.65367638 0.79199355 0.84244587
0.54236084 0.80409364 0.67342373
0.69555978 0.86915591 0.56152604
0.94186852 0.64119651 0.69084437
0.68680757 0.52835244 0.55030279
0.74147458 0.35896399 0.57372147
1.01341812 0.19590763 0.97166881
0.71708395 0.24285127 0.77648071
0.71752925 0.16387933 0.94069154
0.86338645 0.14872969 0.04469710
0.62002537 0.08915186 0.74573076
0.43519835 0.36686632 1.00775740
0.40314518 0.44933508 0.10302150
0.52105687 0.59517808 0.15509806
0.66117218 0.54819872 0.03299523
0.49836414 0.51188062 0.69857674
0.45385854 0.77415335 0.85996931
0.39016872 0.84460322 0.69858526
0.15972056 0.75560096 0.26473261
0.22175384 0.65752282 0.61648669
0.06667511 0.62405191 0.53258771
0.03185993 0.68439852 0.36299961
0.64098093 0.35534913 0.27280376
0.15617885 0.40733899 0.24313675
0.35734577 0.38728730 0.24615391
0.33792729 0.27843758 0.08332272
0.13208276 0.27774578 0.09375585
0.24788056 0.66471912 0.09422707
0.26881172 0.47819016 0.84163028
0.26432406 0.62080410 0.73576409
0.18206461 0.10219467 0.68860187
0.35707434 0.87778761 0.90621488
0.36264223 0.05214428 0.94732896
0.26469423 0.16494786 0.84484995
0.27558518 0.12162317 0.32560092
0.09602423 0.12573207 0.10780989
0.91584843 0.84994219 0.02011948
0.94560914 0.03623287 0.57902775
0.03530262 0.79041900 0.78321407
0.77584199 0.98773348 0.39894485
0.72274059 0.34990050 0.12048755
0.77337632 0.57960574 0.90444456
0.88416470 0.56230766 0.32193240
0.08633850 0.59254474 0.07377864
0.47580803 0.28036951 0.69265030
0.85688296 0.72153484 0.79763040
0.64568967 0.67654117 0.52888539
0.68531969 0.97996687 0.91203045
0.57009476 0.98828122 0.58592243
0.87026444 0.30671863 0.68782345
0.45290913 0.43695205 0.81482254
0.55351935 0.70627089 0.99843353
0.47957619 0.27763922 0.20093668
0.68651015 0.54649172 0.24002024
0.35992777 0.75597814 0.53208994
0.27468873 0.56213186 0.19758942
0.18449747 0.36554540 0.92539462
0.27310760 0.30425987 0.40098888
0.29275027 0.09548928 0.13409469
0.23421305 0.79146286 0.77413913
0.00677451 0.97908911 0.09211454
0.97026367 0.88933243 0.66053370
0.75077608 0.41919560 0.96435071
0.00276338 0.58804795 0.21425636
0.77229950 0.68510864 0.64588956
0.61850441 0.00785772 0.75325481
0.50685042 0.58689908 0.87920216
0.59579155 0.40080829 0.23736460
0.24214473 0.48153533 0.04348222
0.27363218 0.18067256 0.28021259
0.79994945 0.22705475 0.30626675
0.95018502 0.24290635 0.31353970
0.88195104 0.18542239 0.44137368
0.77606898 0.99605260 0.58518661
0.62233515 0.18179055 0.71241088
0.77562284 0.14117992 0.64431709
0.38977416 0.32544316 0.96871301
0.47611268 0.12360004 0.82796035
0.52400293 0.14963613 0.98320992
0.38331513 0.13653230 0.44604383
0.38002698 0.04435800 0.57779079
0.49135297 0.15411635 0.56578698
0.85277456 0.45147705 0.84182288
0.07398148 0.55605833 0.72071212
0.02875637 0.46568039 0.83866677
1.01335798 0.18231091 0.69225630
0.10496945 0.21276738 0.82470010
0.04966791 0.33148950 0.73101366
0.33906393 0.48033893 0.55139197
0.48660453 0.48716963 0.52462483
0.39186656 0.58009309 0.44022134
0.35239922 0.89506784 0.36367094
0.31835322 0.79835681 0.23531846
0.42063838 0.75655598 0.35085744
0.30869556 0.85772626 0.06567139
0.16792665 0.80157585 0.09106280
0.19058006 0.90069538 0.97101627
0.25856747 0.91200403 0.55416314
0.13598129 -0.00281480 0.55997807
0.13124146 0.84182452 0.59713471
No title
1
14.535456 -0.295460 -0.468606
-0.298165 13.732984 -0.042238
-0.474389 -0.038814 13.450631
C H O N F
110 60 25 10 30
Direct configuration= 132
0.07227069 0.03639542 0.95254598
0.92635462 0.01403791 0.75678882
0.94965157 0.93591153 0.82417413
0.02051614 0.94884333 0.92208123
0.06404286 0.05633837 0.05502691
0.97377842 0.91645079 0.01450413
0.94769046 -0.01024035 0.65761111
0.98989453 0.86015510 0.75658983
0.96244117 0.98322111 0.18086809
0.94479267 0.07336419 0.22171816
0.88602179 0.08069958 0.29855126
0.92876102 0.89709103 0.22272917
0.86701755 0.90322914 0.29593437
0.84183504 0.99362163 0.32981804
0.70910296 0.05465013 0.39565215
0.70454877 0.11244031 0.48295670
0.64661045 0.19234504 0.48390862
0.64945698 0.06961007 0.31347948
0.58646087 0.14301098 0.31871144
0.58773204 0.20649447 0.40121938
0.87906016 0.18258672 0.34007625
0.75296054 0.08497816 0.56932059
0.84454997 0.47350778 0.09559737
0.85380972 0.57563877 0.14164816
0.91934370 0.60323765 0.05948408
0.89506210 0.50456791 0.00845997
0.76818207 0.40681998 0.06971135
0.81359766 0.50388644 0.92790335
0.91206091 0.57601980 0.23860887
0.01300392 0.59734853 0.11192454
0.67511859 0.39303126 0.90691919
0.59125768 0.34538035 0.94807704
0.54013993 0.27920603 0.87020485
0.66814995 0.41968358 0.80378966
0.60197835 0.37985963 0.73755099
0.53329124 0.31153004 0.76731305
0.38102066 0.26266225 0.68296211
0.34503366 0.20802581 0.59987144
0.25179499 0.21317984 0.56998210
0.32241174 0.30971934 0.74233770
0.23151794 0.31862001 0.70764671
0.19598084 0.27370859 0.61953509
0.51383135 0.18783712 0.89317006
0.40043346 0.13718649 0.54821671
0.75038586 0.83648579 0.72219582
0.66414938 0.84796647 0.78611641
0.60556329 0.84834243 0.68630708
0.68706895 0.82344660 0.62665759
0.80100647 0.74430614 0.73175101
0.69466907 0.72093118 0.59269186
0.65806561 0.95106039 0.82828213
0.59171625 0.95508125 0.66816367
0.80736794 0.59341879 0.63065529
0.89752985 0.57914543 0.66499686
0.92562080 0.48371535 0.68803598
0.75355969 0.51490517 0.58806539
0.78422351 0.42131514 0.60169765
0.86177350 0.40247852 0.66414350
0.86533524 0.26843726 0.78442286
0.94785703 0.24410777 0.83405810
0.94809193 0.20669395 0.93051969
0.78211223 0.23921044 0.82175931
0.78242148 0.19290303 0.91405095
0.86463569 0.18150810 0.97110708
0.00895836 0.49488912 0.74871422
0.02894107 0.24238377 0.77301166
0.55429926 0.44672578 0.96128713
0.47428924 0.44068456 0.12894524
0.54488828 0.52364027 0.13295501
0.58600571 0.53288553 0.02761384
0.49989334 0.48397859 0.88061066
0.54826536 0.62174697 0.96972639
0.50610756 0.36260403 0.18552227
0.61539212 0.48972428 0.21017534
0.47577910 0.63578199 0.79192107
0.47130232 0.58343400 0.70186173
0.42708339 0.61737439 0.61536313
0.44610035 0.73084824 0.79179566
0.40910778 0.76890130 0.70275538
0.39532413 0.71210069 0.61642577
0.27671836 0.72377239 0.48757427
0.26088366 0.74998807 0.38785780
0.17266859 0.73395514 0.34194066
0.20894703 0.67440882 0.53826955
0.12153318 0.65814897 0.49162318
0.10250009 0.69078661 0.39494101
0.41096127 0.54339476 0.53171093
0.33790890 0.79924906 0.33509761
0.20967736 0.39690380 0.19096698
0.29487685 0.34134260 0.22921912
0.28540713 0.27445493 0.13693272
0.19371392 0.32604454 0.10216956
0.24369816 0.49175110 0.14847283
0.20450354 0.38853613 0.01200680
0.27921309 0.27603471 0.31566498
0.28240225 0.17182833 0.17772738
0.25437356 0.56072477 0.97764469
0.25003920 0.65464071 0.01478178
0.24139981 0.73635197 0.95451519
0.26111413 0.54897378 0.87511843
0.25725152 0.63036379 0.81496634
0.24479307 0.72472442 0.85037835
0.25696300 0.88949118 0.78301462
0.21507425 0.95406658 0.71375942
0.21842660 0.05292073 0.73867229
0.31880553 0.92721290 0.85803555
0.32175502 0.02606108 0.88122567
0.26716300 0.08849705 0.82475628
0.22788967 0.82417776 0.01853112
0.18443833 0.92662405 0.60831320
0.12062434 0.07733271 0.90951406
0.89443367 0.08053953 0.77664791
0.89063439 0.90254687 0.86126630
0.06480006 0.88955938 0.90164945
0.97818621 0.13867335 0.19344138
0.94730839 0.82707150 0.19413818
0.83452548 0.83810032 0.32648196
0.64126078 0.22953382 0.55498282
0.65168505 0.02469506 0.24676097
0.53528808 0.15333939 0.25746687
0.53623234 0.26172231 0.40294945
0.00255159 0.86018304 0.60337661
0.73678217 0.51758028 0.28212215
0.79064366 0.61570443 0.14553785
0.90894576 0.66896589 0.01467171
0.95145504 0.46175043 0.98416855
0.60670124 0.30717632 0.01780429
0.71978305 0.47063687 0.77782072
0.59875093 0.40024483 0.65943824
0.22332398 0.17009602 0.50653980
0.34788352 0.34260292 0.81241628
0.18942671 0.36008624 0.75411487
0.12468705 0.28106885 0.59201946
0.05842056 0.58240788 0.26416335
0.79916385 0.89951968 0.72828730
0.65367929 0.79196644 0.84238572
0.54236108 0.80403394 0.67335454
0.69554399 0.86915203 0.56145006
0.94187856 0.64120081 0.69071845
0.68679115 0.52827424 0.55028851
0.74150173 0.35889253 0.57372325
1.01350136 0.19596874 0.97168854
0.71717200 0.24288703 0.77645603
0.71761357 0.16394628 0.94068260
0.86346549 0.14881912 0.04471563
0.61999498 0.08912381 0.74570173
0.43516664 0.36693005 1.00786536
0.40312022 0.44942273 0.10309976
0.52104913 0.59524063 0.15511015
0.66118812 0.54821215 0.03304763
0.49850747 0.51192499 0.69858027
0.45383545 0.77418729 0.85996247
0.39013684 0.84459966 0.69855173
0.15968713 0.75569892 0.26473425
0.22180005 0.65739465 0.61642650
0.06669406 0.62401813 0.53255507
0.03184066 0.68449699 0.36300583
0.64092501 0.35542741 0.27291310
0.15615064 0.40735439 0.24317642
0.35730353 0.38725317 0.24621538
0.33788486 0.27843095 0.08333415
0.13203883 0.27774762 0.09378383
0.24788510 0.66471864 0.09427282
0.26880406 0.47817102 0.84165528
0.26434563 0.62079567 0.73578477
0.18210534 0.10221077 0.68864564
0.35711849 0.87779168 0.90625643
0.36266416 0.05214945 0.94739917
0.26473392 0.16496753 0.84491013
0.27547005 0.12158715 0.32560083
0.09600402 0.12571172 0.10781299
0.91584927 0.84983332 0.02012823
0.94551050 0.03616870 0.57900576
0.03529122 0.79032673 0.78316008
0.77582191 0.98774411 0.39897497
0.72269832 0.34993525 0.12052338
0.77330400 0.57967153 0.90454693
0.88413130 0.56224237 0.32199356
0.08633539 0.59260976 0.07385924
0.47580405 0.28032457 0.69266750
0.85686209 0.72146579 0.79759476
0.64574021 0.67653184 0.52872501
0.68535519 0.97996186 0.91195800
0.57002258 0.98824237 0.58587285
0.87036032 0.30670545 0.68778419
0.45291198 0.43699374 0.81482665
0.55360521 0.70635086 0.99844503
0.47953014 0.27771661 0.20103940
0.68648069 0.54655761 0.24008504
0.35994394 0.75594092 0.53205517
0.27469577 0.56211297 0.19763088
0.18446412 0.36556022 0.92541609
0.27297813 0.30424181 0.40103356
0.29273194 0.09546000 0.13409040
0.23424982 0.79146161 0.77417663
0.00675454 0.97903616 0.09210911
0.97022437 0.88925950 0.66049606
0.75077702 0.41921079 0.96436476
0.00273831 0.58798517 0.21433473
0.77230534 0.68507494 0.64579436
0.61846541 0.00782550 0.75320246
0.50689418 0.58694091 0.87920766
0.59575981 0.40087173 0.23744296
0.24211754 0.48153357 0.04351562
0.27354624 0.18064562 0.28022182
0.79994670 0.22704651 0.30630368
0.95017878 0.24289445 0.31354378
0.88197052 0.18542338 0.44140375
0.77595267 0.99611917 0.58525032
0.62235163 0.18178874 0.71245250
0.77561196 0.14129763 0.64427416
0.38976925 0.32551810 0.96875667
0.47612925 0.12357909 0.82799752
0.52401201 0.14964431 0.98325912
0.38323278 0.13640793 0.44604334
0.38013676 0.04431777 0.57787504
0.49136592 0.15416487 0.56567852
0.85272980 0.45162712 0.84178299
0.07397878 0.55610292 0.72074424
0.02874771 0.46560748 0.83860966
1.01349328 0.18218045 0.69231492
0.10508080 0.21285499 0.82473945
0.04969828 0.33144133 0.73089772
0.33910695 0.48036871 0.55132196
0.48666723 0.48711360 0.52464934
0.39201973 0.58009543 0.44018914
0.35238724 0.89509104 0.36365930
0.31832069 0.79839644 0.23528162
0.42062342 0.75657192 0.35079686
0.30879320 0.85780761 0.06562179
0.16807176 0.80162542 0.09117275
0.19057658 0.90069211 0.97104323
0.25853220 0.91203573 0.55415658
0.13590310 -0.00285697 0.56005909
0.13127716 0.84177573 0.59723425
No title
1
14.535701 -0.294975 -0.468506
-0.297749 13.732124 -0.042830
-0.474360 -0.039409 13.449341
C H O N F
110 60 25 10 30
Direct configuration= 133
0.07217354 0.03635112 0.95260080
0.92628182 0.01394680 0.75682711
0.94962751 0.93582505 0.82411704
0.02045789 0.94871162 0.92203986
0.06401283 0.05628733 0.05494781
0.97375835 0.91632659 0.01448922
0.94759421 -0.01033465 0.65752577
0.98986236 0.86003235 0.75654122
0.96240394 0.98315833 0.18089817
0.94477686 0.07329077 0.22174487
0.88602198 0.08067257 0.29857447
0.92871623 0.89704331 0.22276316
0.86699494 0.90319729 0.29596268
0.84180687 0.99360508 0.32986646
0.70904809 0.05468244 0.39563146
0.70451749 0.11249431 0.48293946
0.64657408 0.19245064 0.48379996
0.64946230 0.06957081 0.31343046
0.58646247 0.14302399 0.31861837
0.58770182 0.20656061 0.40106574
0.87906031 0.18257657 0.34011559
0.75287292 0.08509358 0.56929291
0.84451178 0.47350019 0.09560534
0.85379020 0.57563083 0.14174421
0.91932520 0.60326779 0.05958171
0.89504049 0.50462562 0.00849709
0.76815592 0.40684166 0.06973551
0.81353817 0.50396974 0.92794241
0.91202920 0.57594657 0.23869613
0.01298128 0.59735639 0.11203801
0.67508764 0.39305399 0.90694299
0.59123459 0.34540498 0.94810907
0.54011057 0.27920455 0.87026016
0.66811348 0.41967166 0.80378885
0.60195355 0.37981819 0.73757755
0.53328787 0.31150312 0.76733070
0.38101758 0.26262599 0.68295141
0.34503990 0.20796207 0.59987908
0.25180426 0.21311923 0.56995329
0.32240764 0.30977106 0.74229169
0.23153533 0.31870543 0.70753678
0.19600294 0.27373899 0.61945416
0.51382975 0.18783904 0.89322378
0.40044999 0.13711847 0.54821071
0.75037210 0.83644188 0.72208892
0.66414066 0.84792223 0.78601598
0.60554636 0.84828274 0.68620329
0.68705896 0.82341068 0.62653265
0.80096160 0.74425178 0.73162039
0.69471186 0.72091625 0.59253981
0.65806042 0.95102530 0.82818143
0.59165547 0.95501976 0.66809498
0.80737599 0.59336680 0.63052651
0.89755062 0.57912984 0.66485517
0.92567528 0.48370759 0.68794979
0.75356349 0.51482450 0.58801304
0.78425118 0.42123060 0.60166177
0.86183359 0.40244940 0.66407629
0.86545582 0.26845505 0.78438200
0.94799871 0.24412770 0.83404576
0.94820539 0.20675904 0.93052249
0.78225276 0.23925967 0.82173005
0.78253618 0.19298500 0.91403113
0.86476850 0.18160119 0.97111908
0.00895470 0.49489396 0.74864525
0.02907885 0.24236112 0.77299786
0.55431946 0.44678091 0.96130156
0.47427039 0.44076876 0.12898974
0.54487689 0.52371735 0.13299307
0.58602865 0.53293524 0.02765919
0.49991957 0.48402625 0.88062812
0.54834545 0.62183385 0.96975396
0.50605995 0.36270356 0.18562721
0.61535472 0.48981072 0.21025760
0.47585238 0.63583921 0.79191395
0.47143609 0.58347191 0.70185467
0.42718721 0.61737200 0.61534194
0.44610662 0.73088556 0.79178460
0.40909905 0.76890206 0.70272311
0.39535667 0.71207467 0.61639553
0.27673882 0.72373101 0.48752088
0.26087790 0.75000805 0.38782390
0.17264268 0.73404153 0.34192420
0.20898224 0.67432272 0.53820901
0.12154596 0.65813002 0.49157614
0.10248247 0.69086280 0.39493417
0.41108771 0.54338312 0.53168163
0.33788612 0.79928335 0.33504911
0.20963041 0.39690636 0.19101631
0.29481032 0.34131355 0.22926785
0.28534740 0.27443414 0.13695775
0.19365385 0.32604117 0.10220360
0.24366987 0.49173060 0.14851892
0.20445399 0.38854536 0.01205660
0.27908544 0.27599355 0.31568773
0.28233602 0.17180687 0.17774084
0.25436425 0.56071092 0.97768965
0.25005559 0.65464497 0.01484641
0.24145618 0.73636288 0.95457770
0.26111790 0.54896337 0.87515910
0.25728419 0.63034777 0.81500563
0.24484547 0.72472523 0.85043284
0.25702041 0.88949553 0.78308365
0.21511850 0.95408042 0.71382099
0.21848676 0.05293962 0.73874127
0.31885855 0.92722164 0.85809863
0.32180189 0.02607049 0.88131290
0.26721477 0.08852333 0.82483263
0.22799288 0.82422207 0.01858339
0.18442175 0.92660215 0.60839317
0.12051249 0.07729828 0.90944797
0.89441767 0.08044861 0.77665048
0.89058907 0.90240574 0.86123860
0.06478114 0.88946904 0.90163057
0.97819186 0.13861828 0.19346709
0.94725178 0.82699136 0.19416878
0.83448011 0.83807129 0.32653355
0.64121838 0.22969494 0.55484287
0.65168879 0.02463687 0.24674024
0.53529202 0.15331697 0.25732349
0.53622642 0.26178619 0.40275813
0.00247913 0.86009669 0.60328547
0.73673309 0.51768290 0.28224031
0.79061728 0.61569138 0.14564771
0.90892528 0.66901847 0.01481948
0.95142151 0.46179866 0.98413962
0.60668331 0.30721310 0.01786321
0.71974922 0.47062505 0.77781566
0.59872403 0.40018234 0.65942630
0.22333531 0.17000629 0.50653706
0.34788083 0.34269314 0.81235272
0.18944821 0.36026377 0.75394912
0.12473033 0.28112583 0.59188360
0.05837936 0.58232115 0.26428659
0.79914930 0.89946932 0.72819523
0.65368293 0.79192556 0.84229920
0.54236317 0.80394788 0.67325367
0.69552200 0.86914695 0.56133893
0.94189321 0.64120639 0.69053489
0.68676667 0.52815966 0.55026720
0.74154360 0.35879139 0.57372717
1.01362365 0.19605663 0.97171780
0.71730141 0.24293890 0.77642155
0.71773575 0.16404315 0.94067083
0.86358009 0.14895104 0.04473891
0.61995084 0.08908183 0.74566011
0.43511963 0.36702255 1.00802261
0.40308104 0.44955092 0.10321334
0.52103631 0.59533611 0.15512861
0.66121228 0.54823309 0.03312397
0.49871396 0.51199463 0.69858533
0.45380162 0.77423477 0.85994907
0.39009045 0.84459455 0.69850302
0.15963887 0.75584135 0.26473844
0.22186673 0.65720875 0.61633588
0.06672231 0.62396928 0.53250748
0.03181480 0.68464060 0.36301591
0.64085056 0.35553422 0.27307799
0.15610932 0.40737630 0.24323389
0.35724067 0.38720250 0.24630503
0.33782422 0.27842145 0.08335010
0.13197679 0.27775203 0.09382484
0.24789177 0.66471813 0.09433738
0.26879303 0.47814265 0.84169177
0.26437673 0.62078401 0.73581711
0.18216374 0.10223492 0.68870858
0.35718235 0.87779812 0.90631607
0.36269674 0.05215761 0.94750205
0.26479181 0.16499103 0.84499624
0.27530220 0.12153591 0.32560100
0.09594226 0.12562182 0.10778195
0.91587685 0.84970666 0.02014305
0.94536444 0.03607752 0.57897834
0.03525535 0.79022583 0.78306905
0.77580030 0.98775174 0.39902016
0.72264946 0.34999775 0.12055474
0.77320018 0.57976437 0.90469737
0.88407446 0.56214381 0.32210864
0.08631933 0.59270509 0.07398275
0.47579456 0.28025798 0.69269405
0.85681757 0.72137247 0.79752857
0.64579616 0.67650345 0.52847130
0.68540635 0.97995372 0.91185155
0.56991229 0.98819500 0.58577867
0.87050112 0.30667999 0.68773073
0.45292291 0.43706619 0.81484279
0.55372485 0.70640925 0.99844088
0.47946590 0.27783905 0.20118647
0.68644644 0.54665576 0.24018282
0.35996412 0.75588707 0.53200174
0.27471572 0.56210909 0.19770760
0.18441038 0.36557541 0.92542386
0.27279262 0.30420566 0.40106662
0.29270429 0.09542237 0.13408768
0.23430457 0.79146803 0.77422966
0.00671947 0.97895588 0.09211725
0.97016115 0.88916924 0.66044038
0.75075687 0.41922500 0.96437564
0.00270121 0.58789457 0.21444618
0.77230272 0.68503488 0.64565010
0.61840744 0.00777673 0.75312227
0.50695932 0.58700974 0.87921806
0.59570591 0.40098934 0.23754309
0.24207899 0.48153390 0.04356334
0.27342189 0.18060382 0.28023041
0.79994293 0.22703495 0.30635635
0.95017001 0.24287663 0.31354919
0.88199891 0.18542517 0.44144672
0.77578159 0.99621343 0.58534346
0.62237613 0.18178645 0.71251282
0.77560062 0.14148127 0.64422586
0.38976297 0.32562833 0.96882036
0.47615705 0.12355477 0.82805830
0.52402554 0.14965687 0.98333097
0.38311291 0.13622603 0.44604562
0.38029622 0.04425935 0.57799876
0.49137448 0.15423333 0.56551874
0.85266344 0.45184703 0.84172745
0.07397698 0.55616838 0.72079241
0.02873822 0.46549829 0.83853763
1.01369303 0.18200040 0.69241145
0.10524492 0.21298132 0.82479893
0.04974204 0.33136809 0.73073121
0.33917231 0.48041441 0.55121895
0.48675957 0.48703170 0.52468413
0.39224210 0.58010133 0.44013521
0.35236949 0.89512291 0.36364208
0.31827454 0.79845408 0.23523003
0.42060145 0.75659515 0.35070926
0.30893202 0.85792521 0.06554940
0.16828185 0.80169865 0.09133213
0.19057362 0.90068493 0.97108559
0.25848518 0.91208156 0.55414484
0.13579319 -0.00292127 0.56018046
0.13133444 0.84171022 0.59737936
No title
1
14.535719 -0.294816 -0.468543
-0.297610 13.731863 -0.043029
-0.474412 -0.039611 13.448947
C H O N F
110 60 25 10 30
Direct configuration= 134
0.07215944 0.03632413 0.95254208
0.92626920 0.01390545 0.75681005
0.94960990 0.93578863 0.82411265
0.02044342 0.94869338 0.92204243
0.06398755 0.05627082 0.05498336
0.97375948 0.91630032 0.01449348
0.94756403 -0.01037938 0.65754786
0.98984744 0.86000865 0.75651910
0.96239864 0.98313415 0.18089526
0.94477870 0.07328922 0.22174949
0.88601371 0.08066103 0.29859097
0.92870945 0.89701613 0.22276471
0.86697594 0.90318591 0.29598468
0.84180417 0.99360172 0.32987512
0.70904643 0.05467720 0.39562936
0.70448589 0.11253165 0.48291229
0.64656488 0.19247531 0.48375808
0.64945221 0.06957416 0.31341917
0.58646196 0.14301745 0.31857463
0.58770439 0.20657788 0.40103338
0.87906299 0.18257003 0.34012230
0.75286036 0.08512519 0.56931556
0.84450381 0.47349972 0.09561406
0.85378252 0.57562467 0.14176812
0.91932013 0.60327495 0.05961521
0.89502769 0.50463880 0.00850390
0.76815468 0.40685649 0.06973926
0.81352300 0.50399953 0.92795522
0.91201211 0.57592086 0.23874502
0.01297209 0.59736015 0.11207125
0.67507906 0.39306147 0.90694794
0.59122781 0.34540945 0.94812468
0.54010487 0.27921655 0.87026809
0.66811061 0.41967224 0.80379836
0.60194466 0.37980978 0.73756494
0.53327768 0.31148418 0.76734340
0.38101300 0.26262215 0.68295838
0.34503822 0.20793729 0.59987380
0.25180822 0.21310828 0.56995433
0.32240806 0.30978129 0.74226842
0.23154165 0.31873653 0.70751155
0.19601203 0.27374057 0.61942047
0.51382752 0.18782975 0.89324579
0.40045231 0.13709878 0.54821047
0.75036531 0.83643088 0.72205438
0.66413764 0.84790662 0.78598651
0.60554211 0.84826382 0.68617253
0.68705624 0.82340400 0.62649533
0.80099414 0.74421415 0.73163119
0.69469466 0.72088495 0.59245357
0.65806209 0.95101760 0.82815996
0.59162970 0.95501137 0.66804720
0.80738337 0.59335062 0.63048913
0.89755477 0.57912429 0.66481159
0.92568413 0.48370652 0.68791907
0.75356088 0.51479575 0.58799463
0.78426205 0.42121146 0.60165290
0.86185283 0.40243873 0.66405679
0.86551386 0.26845853 0.78437515
0.94802623 0.24413847 0.83403122
0.94825523 0.20677765 0.93052838
0.78227956 0.23927470 0.82171565
0.78258699 0.19300756 0.91403730
0.86478877 0.18163062 0.97111475
0.00896253 0.49489113 0.74863797
0.02912342 0.24235563 0.77299732
0.55432757 0.44679705 0.96130801
0.47426056 0.44079335 0.12900226
0.54487345 0.52374162 0.13300501
0.58603510 0.53294993 0.02767174
0.49992766 0.48404817 0.88063314
0.54836748 0.62184057 0.96975364
0.50604504 0.36274059 0.18565627
0.61534875 0.48985100 0.21028087
0.47587504 0.63585664 0.79191360
0.47147516 0.58348577 0.70185007
0.42722017 0.61736925 0.61533704
0.44610786 0.73089557 0.79177677
0.40909692 0.76890359 0.70271581
0.39536552 0.71206726 0.61638437
0.27674336 0.72371562 0.48751042
0.26087338 0.75001526 0.38780813
0.17263618 0.73406688 0.34192438
0.20899122 0.67429822 0.53818326
0.12155332 0.65812333 0.49156753
0.10247755 0.69088818 0.39492724
0.41112508 0.54338030 0.53167162
0.33787982 0.79929369 0.33503557
0.20961538 0.39690559 0.19103158
0.29479011 0.34130579 0.22928115
0.28533001 0.27442907 0.13696430
0.19363613 0.32604060 0.10221528
0.24367071 0.49174668 0.14854647
0.20443428 0.38854222 0.01204894
0.27904429 0.27598897 0.31572234
0.28231807 0.17177609 0.17773034
0.25436138 0.56071549 0.97770824
0.25006091 0.65464062 0.01486045
0.24147354 0.73636639 0.95459861
0.26111985 0.54895219 0.87516919
0.25729343 0.63034989 0.81501813
0.24486173 0.72472264 0.85044683
0.25703273 0.88950055 0.78309657
0.21513458 0.95408022 0.71384504
0.21850224 0.05294758 0.73875811
0.31887895 0.92722284 0.85812282
0.32181225 0.02607794 0.88133506
0.26723509 0.08852552 0.82486089
0.22802257 0.82423784 0.01859926
0.18441851 0.92659602 0.60841767
0.12046784 0.07728062 0.90943826
0.89440642 0.08043235 0.77665665
0.89058347 0.90236744 0.86122548
0.06478057 0.88943803 0.90162215
0.97819000 0.13859295 0.19347754
0.94723305 0.82697340 0.19418029
0.83446921 0.83806656 0.32654638
0.64120474 0.22974585 0.55480317
0.65169088 0.02461540 0.24672919
0.53529719 0.15330927 0.25728439
0.53622015 0.26180977 0.40269924
0.00245403 0.86007215 0.60326351
0.73672001 0.51771350 0.28227787
0.79060962 0.61568776 0.14568165
0.90891895 0.66903669 0.01486306
0.95141044 0.46181466 0.98413167
0.60667723 0.30722629 0.01787825
0.71973727 0.47062001 0.77781382
0.59871626 0.40016107 0.65943093
0.22333753 0.16997635 0.50653307
0.34788079 0.34272227 0.81233620
0.18945590 0.36031652 0.75389697
0.12474324 0.28114350 0.59184276
0.05836628 0.58229474 0.26432435
0.79914560 0.89945414 0.72816736
0.65368433 0.79191371 0.84227201
0.54236361 0.80392140 0.67322260
0.69551539 0.86914502 0.56130517
0.94189746 0.64120827 0.69047913
0.68676119 0.52812510 0.55026176
0.74155483 0.35875839 0.57372748
1.01365604 0.19608415 0.97172400
0.71734504 0.24295447 0.77641416
0.71777012 0.16407190 0.94066778
0.86361588 0.14899013 0.04474893
0.61993730 0.08906996 0.74564679
0.43510528 0.36705081 1.00807066
0.40307194 0.44958970 0.10324917
0.52103250 0.59536448 0.15513429
0.66121973 0.54823953 0.03314715
0.49877715 0.51201464 0.69858679
0.45379154 0.77425046 0.85994670
0.39007642 0.84459239 0.69848790
0.15962398 0.75588555 0.26473819
0.22188745 0.65715150 0.61631111
0.06673093 0.62395447 0.53249271
0.03180720 0.68468426 0.36301946
0.64082408 0.35557128 0.27312545
0.15609668 0.40738297 0.24325139
0.35722121 0.38718704 0.24633249
0.33780533 0.27841834 0.08335530
0.13195749 0.27775271 0.09383684
0.24789386 0.66471856 0.09436019
0.26878930 0.47813700 0.84170436
0.26438628 0.62078019 0.73582633
0.18218246 0.10224127 0.68872908
0.35720096 0.87780125 0.90633297
0.36270736 0.05216009 0.94753415
0.26480917 0.16500047 0.84502282
0.27525099 0.12152001 0.32560120
0.09592877 0.12560239 0.10777173
0.91587509 0.84965639 0.02014744
0.94531949 0.03606493 0.57894324
0.03524923 0.79018606 0.78304551
0.77578672 0.98775851 0.39903497
0.72263077 0.35001206 0.12056824
0.77316888 0.57978952 0.90474408
0.88406341 0.56211667 0.32212496
0.08631706 0.59273365 0.07401952
0.47579731 0.28023992 0.69270282
0.85676433 0.72136080 0.79746148
0.64583827 0.67651710 0.52842691
0.68541947 0.97994837 0.91181104
0.56988493 0.98817117 0.58577169
0.87054314 0.30667471 0.68771306
0.45292484 0.43708558 0.81484590
0.55376235 0.70644521 0.99844610
0.47944544 0.27787253 0.20123276
0.68643026 0.54668344 0.24020932
0.35997141 0.75587098 0.53198610
0.27471340 0.56208975 0.19771896
0.18439881 0.36558548 0.92544564
0.27273787 0.30418745 0.40105383
0.29269327 0.09543140 0.13409849
0.23432151 0.79146848 0.77424756
0.00670808 0.97892736 0.09211131
0.97014373 0.88914150 0.66041163
0.75074844 0.41922836 0.96437494
0.00269072 0.58786685 0.21448053
0.77230241 0.68502521 0.64560900
0.61839011 0.00776097 0.75309957
0.50698014 0.58702853 0.87922349
0.59569349 0.40100959 0.23758131
0.24206614 0.48153083 0.04357878
0.27338425 0.18059268 0.28023231
0.79994099 0.22703229 0.30637249
0.95016763 0.24287214 0.31355123
0.88200731 0.18542602 0.44146164
0.77573031 0.99624219 0.58537114
0.62238340 0.18178539 0.71253179
0.77559455 0.14153268 0.64420161
0.38976121 0.32566240 0.96884007
0.47616551 0.12354738 0.82807642
0.52402924 0.14966204 0.98335092
0.38307604 0.13616993 0.44604616
0.38034522 0.04424189 0.57803713
0.49137917 0.15425410 0.56546967
0.85264279 0.45191402 0.84171076
0.07397615 0.55618993 0.72080630
0.02873273 0.46546680 0.83850748
1.01375276 0.18194388 0.69243862
0.10529412 0.21301932 0.82481527
0.04975514 0.33134462 0.73068078
0.33919274 0.48042809 0.55118772
0.48678809 0.48700697 0.52469465
0.39231065 0.58010291 0.44011938
0.35236415 0.89513276 0.36363685
0.31826083 0.79847188 0.23521463
0.42059482 0.75660245 0.35068245
0.30897322 0.85796067 0.06552732
0.16834557 0.80172076 0.09138005
0.19057317 0.90068219 0.97109876
0.25847066 0.91209558 0.55414133
0.13575860 -0.00293986 0.56021661
0.13135158 0.84168970 0.59742349
No title
1
14.536009 -0.294160 -0.468416
-0.297044 13.730713 -0.043795
-0.474370 -0.040380 13.447436
C H O N F
110 60 25 10 30
Direct configuration= 135
0.07205476 0.03621420 0.95244072
0.92619085 0.01375820 0.75677501
0.94954172 0.93562978 0.82407591
0.02037664 0.94857159 0.92201835
0.06389070 0.05616507 0.05499807
0.97372360 0.91613273 0.01450036
0.94742576 -0.01050735 0.65750041
0.98981276 0.85984224 0.75644096
0.96236000 0.98303456 0.18091055
0.94476740 0.07322802 0.22178308
0.88599901 0.08062083 0.29864044
0.92865525 0.89692726 0.22280100
0.86692411 0.90313981 0.29604640
0.84177757 0.99357728 0.32992881
0.70900819 0.05468708 0.39561617
0.70440268 0.11264361 0.48284879
0.64651843 0.19261101 0.48359991
0.64943085 0.06955394 0.31335515
0.58645935 0.14301623 0.31841344
0.58768869 0.20665656 0.40084359
0.87906800 0.18254719 0.34016467
0.75276538 0.08527775 0.56933178
0.84447005 0.47350276 0.09564890
0.85375005 0.57559973 0.14188885
0.91929344 0.60331107 0.05976027
0.89497986 0.50470179 0.00853782
0.76811655 0.40688773 0.06977227
0.81345333 0.50412555 0.92801095
0.91196490 0.57581980 0.23887184
0.01293884 0.59737433 0.11222618
0.67503602 0.39309056 0.90697735
0.59119715 0.34543972 0.94818137
0.54006686 0.27922595 0.87032780
0.66806961 0.41966077 0.80380763
0.60191569 0.37976486 0.73756908
0.53325641 0.31142631 0.76738539
0.38100472 0.26258040 0.68295524
0.34504216 0.20784336 0.59987576
0.25182462 0.21303374 0.56992801
0.32240637 0.30984752 0.74219615
0.23156523 0.31885990 0.70736835
0.19604673 0.27377345 0.61930041
0.51382773 0.18783126 0.89332912
0.40046652 0.13700659 0.54820462
0.75034432 0.83636568 0.72190534
0.66412599 0.84784277 0.78585006
0.60552036 0.84818280 0.68602844
0.68704352 0.82335548 0.62632226
0.80093604 0.74414459 0.73145859
0.69474589 0.72087038 0.59224259
0.65805359 0.95096710 0.82801837
0.59154615 0.95492511 0.66794893
0.80739737 0.59328754 0.63031544
0.89758304 0.57909978 0.66461545
0.92573804 0.48369705 0.68779042
0.75356036 0.51467541 0.58791810
0.78430122 0.42110828 0.60160538
0.86194227 0.40239478 0.66397041
0.86570400 0.26848005 0.78432709
0.94820218 0.24416927 0.83400304
0.94842944 0.20686492 0.93053527
0.78245485 0.23934204 0.82167215
0.78276073 0.19311714 0.91402663
0.86494689 0.18176103 0.97112189
0.00898096 0.49488850 0.74857314
0.02931525 0.24232831 0.77298459
0.55436202 0.44686892 0.96133502
0.47422551 0.44091147 0.12906017
0.54485620 0.52385111 0.13305835
0.58606518 0.53301504 0.02772776
0.49995900 0.48412525 0.88064857
0.54847457 0.62196823 0.96978799
0.50598160 0.36288030 0.18580105
0.61529781 0.48996801 0.21039536
0.47597651 0.63593584 0.79190774
0.47165726 0.58354158 0.70183886
0.42736413 0.61736354 0.61530772
0.44611629 0.73094339 0.79175435
0.40908487 0.76890762 0.70267286
0.39540872 0.71203370 0.61634165
0.27676757 0.72365542 0.48744285
0.26086237 0.75004505 0.38775624
0.17260164 0.73418565 0.34190824
0.20903867 0.67418180 0.53809117
0.12157454 0.65809642 0.49150849
0.10245590 0.69099627 0.39491369
0.41129586 0.54336609 0.53162820
0.33784991 0.79934122 0.33497250
0.20955005 0.39690919 0.19109911
0.29469639 0.34126623 0.22934752
0.28524875 0.27440043 0.13699578
0.19355592 0.32603897 0.10226197
0.24363044 0.49171720 0.14861019
0.20436761 0.38855414 0.01212205
0.27886840 0.27593469 0.31576459
0.28222663 0.17174838 0.17774692
0.25434873 0.56070557 0.97777675
0.25008400 0.65464280 0.01494246
0.24155193 0.73638046 0.95468716
0.26112629 0.54892926 0.87522373
0.25733739 0.63033689 0.81507363
0.24493396 0.72472227 0.85052026
0.25710374 0.88951315 0.78317914
0.21519931 0.95409369 0.71393909
0.21858118 0.05297510 0.73884730
0.31895808 0.92723571 0.85821623
0.32187359 0.02609531 0.88145141
0.26731147 0.08855256 0.82497093
0.22815903 0.82430214 0.01867120
0.18440127 0.92656779 0.60852797
0.12029860 0.07722533 0.90935979
0.89437192 0.08032865 0.77667144
0.89054727 0.90218789 0.86117236
0.06476684 0.88930624 0.90158821
0.97819117 0.13850210 0.19351757
0.94715318 0.82687351 0.19422436
0.83441300 0.83803526 0.32661089
0.64114537 0.22996833 0.55461238
0.65169852 0.02452684 0.24669054
0.53531371 0.15327593 0.25709882
0.53620055 0.26190804 0.40243493
0.00234951 0.85995791 0.60315046
0.73665401 0.51785418 0.28244145
0.79057459 0.61567092 0.14583322
0.90889095 0.66911562 0.01506231
0.95136006 0.46188648 0.98409579
0.60665165 0.30728173 0.01795251
0.71968880 0.47060156 0.77780540
0.59868024 0.40007102 0.65942743
0.22335160 0.16984872 0.50652588
0.34787824 0.34284895 0.81225152
0.18948667 0.36055908 0.75366770
0.12480195 0.28122148 0.59165705
0.05830967 0.58217560 0.26449427
0.79912862 0.89938686 0.72804066
0.65368952 0.79185757 0.84215126
0.54236660 0.80380238 0.67308233
0.69548672 0.86913711 0.56115226
0.94191691 0.64121490 0.69022663
0.68673211 0.52796766 0.55023441
0.74160987 0.35861547 0.57373154
1.01381841 0.19620594 0.97176128
0.71752571 0.24302573 0.77637077
0.71793471 0.16420456 0.94065333
0.86377398 0.14916910 0.04478706
0.61987680 0.08901069 0.74558909
0.43504117 0.36717888 1.00828803
0.40302467 0.44976512 0.10340857
0.52101486 0.59549345 0.15515873
0.66125306 0.54826896 0.03325171
0.49906091 0.51210747 0.69859357
0.45374616 0.77431823 0.85993200
0.39001313 0.84458402 0.69842036
0.15955765 0.75608328 0.26474291
0.22197961 0.65689528 0.61619084
0.06677002 0.62388728 0.53242743
0.03177184 0.68488145 0.36303392
0.64072154 0.35571984 0.27335149
0.15603881 0.40741257 0.24333023
0.35713464 0.38711773 0.24645639
0.33772145 0.27840547 0.08337827
0.13187122 0.27775821 0.09389178
0.24790329 0.66471966 0.09445359
0.26877397 0.47810207 0.84175664
0.26442900 0.62076444 0.73586912
0.18226362 0.10227360 0.68881720
0.35728853 0.87781134 0.90641355
0.36275296 0.05217098 0.94767521
0.26488854 0.16503740 0.84514214
0.27502005 0.12145046 0.32560089
0.09587095 0.12552959 0.10775125
0.91591018 0.84947748 0.02016427
0.94511705 0.03594346 0.57889513
0.03519162 0.79005291 0.78292212
0.77574145 0.98778046 0.39909833
0.72256564 0.35009981 0.12060954
0.77302489 0.57991325 0.90495212
0.88398844 0.56198122 0.32227752
0.08630026 0.59286377 0.07418760
0.47579150 0.28015072 0.69273831
0.85670038 0.72123234 0.79736586
0.64591728 0.67647600 0.52807870
0.68549111 0.97993720 0.91166555
0.56973482 0.98810599 0.58564093
0.87073562 0.30664603 0.68763503
0.45293896 0.43718162 0.81486722
0.55392582 0.70652046 0.99843977
0.47935578 0.27803994 0.20143713
0.68637981 0.54682007 0.24034017
0.36000148 0.75579729 0.53191472
0.27473969 0.56208606 0.19782648
0.18432529 0.36560672 0.92545075
0.27248337 0.30413490 0.40109097
0.29265445 0.09537852 0.13409364
0.23439620 0.79147392 0.77432227
0.00665988 0.97881176 0.09210409
0.97005869 0.88901784 0.66031551
0.75072111 0.41924795 0.96438146
0.00263819 0.58774151 0.21463747
0.77230657 0.68495604 0.64540985
0.61830994 0.00769669 0.75298967
0.50707273 0.58711649 0.87924278
0.59562133 0.40117167 0.23772055
0.24201357 0.48153106 0.04364425
0.27321329 0.18053555 0.28024594
0.79993461 0.22701810 0.30644460
0.95015701 0.24284948 0.31355946
0.88204539 0.18542913 0.44152419
0.77549688 0.99637257 0.58549910
0.62241710 0.18178132 0.71261459
0.77557458 0.14177677 0.64411490
0.38975264 0.32581534 0.96892750
0.47620152 0.12350919 0.82815618
0.52404668 0.14968104 0.98344913
0.38290989 0.13591691 0.44604994
0.38056616 0.04416257 0.57821086
0.49139662 0.15434709 0.56524962
0.85255148 0.45221588 0.84163466
0.07397131 0.55628380 0.72087145
0.02871415 0.46531811 0.83839301
1.01402334 0.18169343 0.69256534
0.10551664 0.21319002 0.82489220
0.04981622 0.33124095 0.73045428
0.33928467 0.48048997 0.55104611
0.48691664 0.48689578 0.52474224
0.39261919 0.58011070 0.44004743
0.35234010 0.89517708 0.36361420
0.31819904 0.79855202 0.23514409
0.42056506 0.75663518 0.35056251
0.30915988 0.85812141 0.06542938
0.16863140 0.80182086 0.09159631
0.19056970 0.90067296 0.97115688
0.25840564 0.91215903 0.55412606
0.13560449 -0.00302521 0.56038137
0.13142907 0.84159754 0.59762220
No title
1
14.535998 -0.294260 -0.468428
-0.297133 13.730912 -0.043732
-0.474375 -0.040316 13.447551
C H O N F
110 60 25 10 30
Direct configuration= 136
0.07205627 0.03622583 0.95248418
0.92619532 0.01378119 0.75677998
0.94955401 0.93564195 0.82408030
0.02038979 0.94857490 0.92201475
0.06390397 0.05617039 0.05496837
0.97374299 0.91617083 0.01449372
0.94744290 -0.01049275 0.65749568
0.98979458 0.85989366 0.75643371
0.96236325 0.98304871 0.18091098
0.94476377 0.07322188 0.22178280
0.88600468 0.08062775 0.29863073
0.92865708 0.89694306 0.22280237
0.86693458 0.90314628 0.29603422
0.84177727 0.99357732 0.32992589
0.70900608 0.05469336 0.39561893
0.70442191 0.11262145 0.48286391
0.64652326 0.19260002 0.48362339
0.64943720 0.06954996 0.31335929
0.58645798 0.14302151 0.31843524
0.58768604 0.20664728 0.40085551
0.87906589 0.18255220 0.34016313
0.75276666 0.08526456 0.56931362
0.84447985 0.47350594 0.09564855
0.85375090 0.57560169 0.14187622
0.91929379 0.60330589 0.05974281
0.89498614 0.50469226 0.00853327
0.76812073 0.40688728 0.06976117
0.81346040 0.50411138 0.92800505
0.91196533 0.57582838 0.23887019
0.01294090 0.59737234 0.11221127
0.67503962 0.39308649 0.90697362
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0.54007051 0.27922202 0.87032518
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No title
1
14.536118 -0.293743 -0.468355
-0.296690 13.729884 -0.044422
-0.474375 -0.041009 13.446034
C H O N F
110 60 25 10 30
Direct configuration= 137
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No title
1
14.536277 -0.293325 -0.468355
-0.296330 13.729211 -0.044950
-0.474423 -0.041541 13.445105
C H O N F
110 60 25 10 30
Direct configuration= 138
0.07190509 0.03608498 0.95239442
0.92606880 0.01356696 0.75674727
0.94946920 0.93542218 0.82399821
0.02028590 0.94835405 0.92195829
0.06378771 0.05603933 0.05496143
0.97370759 0.91594412 0.01448685
0.94723934 -0.01069239 0.65744455
0.98971745 0.85966755 0.75630912
0.96230085 0.98290217 0.18094492
0.94474654 0.07312118 0.22183160
0.88598085 0.08056334 0.29870550
0.92857978 0.89681096 0.22285113
0.86685563 0.90307550 0.29612806
0.84173446 0.99354517 0.33000909
0.70893551 0.05471683 0.39559163
0.70430083 0.11278868 0.48276633
0.64645466 0.19279525 0.48337881
0.64941466 0.06951057 0.31326518
0.58645667 0.14301856 0.31819679
0.58765600 0.20677200 0.40057109
0.87907196 0.18252491 0.34023100
0.75262013 0.08549313 0.56933712
0.84444602 0.47349653 0.09571206
0.85369818 0.57556150 0.14206139
0.91924447 0.60335177 0.05994987
0.89491417 0.50478970 0.00858934
0.76807232 0.40695051 0.06979990
0.81335297 0.50430557 0.92808690
0.91188383 0.57567303 0.23908401
0.01288761 0.59738861 0.11244386
0.67498357 0.39313120 0.90701688
0.59115131 0.34548362 0.94825874
0.54001886 0.27924814 0.87041822
0.66801509 0.41964696 0.80382318
0.60186623 0.37969074 0.73757773
0.53323368 0.31135649 0.76743291
0.38099275 0.26252442 0.68295473
0.34504622 0.20771247 0.59987912
0.25184547 0.21293179 0.56989384
0.32240386 0.30993782 0.74209116
0.23160180 0.31903303 0.70717299
0.19609455 0.27381606 0.61913084
0.51382271 0.18781899 0.89344591
0.40048934 0.13687450 0.54819951
0.75031685 0.83627846 0.72169736
0.66410907 0.84775406 0.78565824
0.60549146 0.84806812 0.68582849
0.68702748 0.82329217 0.62608267
0.80090253 0.74402111 0.73126526
0.69477149 0.72079405 0.59187873
0.65804823 0.95090213 0.82783806
0.59141559 0.95482926 0.66775541
0.80742093 0.59318898 0.63007385
0.89761725 0.57906352 0.66434450
0.92582572 0.48368706 0.68762013
0.75356112 0.51451154 0.58781299
0.78436038 0.42095970 0.60154274
0.86205501 0.40233376 0.66384610
0.86597216 0.26851132 0.78426019
0.94844201 0.24421009 0.83395947
0.94867267 0.20698231 0.93054652
0.78269424 0.23943501 0.82161246
0.78300477 0.19326699 0.91401584
0.86516273 0.18194094 0.97113181
0.00898935 0.49488776 0.74846700
0.02958041 0.24228700 0.77297016
0.55440885 0.44696664 0.96136854
0.47418006 0.44107206 0.12914937
0.54483126 0.52400022 0.13312976
0.58610747 0.53311055 0.02780708
0.50001071 0.48424464 0.88067890
0.54861866 0.62205272 0.96980808
0.50588831 0.36308893 0.18599792
0.61523882 0.49017147 0.21054362
0.47611967 0.63604167 0.79190233
0.47190945 0.58362157 0.70182232
0.42756549 0.61735624 0.61527047
0.44612928 0.73101133 0.79172362
0.40906919 0.76891119 0.70261372
0.39546871 0.71198668 0.61628083
0.27680404 0.72357223 0.48735162
0.26084699 0.75008847 0.38768312
0.17255552 0.73435309 0.34188848
0.20910251 0.67401993 0.53796197
0.12160543 0.65805836 0.49142935
0.10242448 0.69114797 0.39489442
0.41154174 0.54334881 0.53156325
0.33780860 0.79940720 0.33488587
0.20945711 0.39690951 0.19119261
0.29456785 0.34121223 0.22944105
0.28513692 0.27436375 0.13704186
0.19344364 0.32603517 0.10232822
0.24359800 0.49173590 0.14873594
0.20426313 0.38855842 0.01215767
0.27862273 0.27585741 0.31581237
0.28210180 0.17168138 0.17775655
0.25433274 0.56070115 0.97787263
0.25011699 0.65464336 0.01505766
0.24165943 0.73640168 0.95480998
0.26113545 0.54889749 0.87530099
0.25739844 0.63032179 0.81515268
0.24503413 0.72472214 0.85062087
0.25720350 0.88953083 0.78329553
0.21528793 0.95411247 0.71406750
0.21868980 0.05301514 0.73897115
0.31906718 0.92725125 0.85834457
0.32195767 0.02612180 0.88161031
0.26741789 0.08859026 0.82512399
0.22834964 0.82439024 0.01877326
0.18437845 0.92652945 0.60868039
0.12007200 0.07715517 0.90923139
0.89433195 0.08016556 0.77668381
0.89047430 0.90192536 0.86110845
0.06472861 0.88914100 0.90153866
0.97819651 0.13838420 0.19356992
0.94704154 0.82672932 0.19428304
0.83433145 0.83798492 0.32670305
0.64106161 0.23028145 0.55434954
0.65170924 0.02440324 0.24663717
0.53533416 0.15322933 0.25683387
0.53617388 0.26204215 0.40206487
0.00221185 0.85979981 0.60298191
0.73656307 0.51805181 0.28266960
0.79053344 0.61564279 0.14604066
0.90885383 0.66922204 0.01534390
0.95127714 0.46199561 0.98405520
0.60661584 0.30736085 0.01805381
0.71962314 0.47057646 0.77779283
0.59863121 0.39994463 0.65941998
0.22337227 0.16966987 0.50651992
0.34787641 0.34302807 0.81213350
0.18953074 0.36089597 0.75334735
0.12488443 0.28132804 0.59140083
0.05822771 0.58200994 0.26473026
0.79910730 0.89929261 0.72786375
0.65369663 0.79177788 0.84198028
0.54237158 0.80363595 0.67288386
0.69544922 0.86912569 0.56093878
0.94194530 0.64122445 0.68987580
0.68669002 0.52774919 0.55019377
0.74168698 0.35841751 0.57373760
1.01404299 0.19637451 0.97181142
0.71777650 0.24312519 0.77631509
0.71815969 0.16438876 0.94063750
0.86399324 0.14941832 0.04484099
0.61979211 0.08893062 0.74550666
0.43495297 0.36735966 1.00859186
0.40295558 0.45000909 0.10363101
0.52098970 0.59567233 0.15519119
0.66129813 0.54830921 0.03339519
0.49945474 0.51223625 0.69860313
0.45368378 0.77441162 0.85990850
0.38992509 0.84457388 0.69832563
0.15946564 0.75636098 0.26475112
0.22210744 0.65653903 0.61602242
0.06682425 0.62379352 0.53233617
0.03172401 0.68515574 0.36305587
0.64057004 0.35593825 0.27365870
0.15595604 0.40745271 0.24343839
0.35701277 0.38702159 0.24662846
0.33760614 0.27838834 0.08341025
0.13175179 0.27776846 0.09396496
0.24791726 0.66472240 0.09458434
0.26875301 0.47805639 0.84183184
0.26448776 0.62074445 0.73593175
0.18237707 0.10231788 0.68894127
0.35741058 0.87782639 0.90652377
0.36281837 0.05218720 0.94787158
0.26499917 0.16508733 0.84530754
0.27469889 0.12135273 0.32559954
0.09576880 0.12539577 0.10770501
0.91592945 0.84919170 0.02019610
0.94483242 0.03578432 0.57881283
0.03514662 0.78981867 0.78277086
0.77569295 0.98780240 0.39918238
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0.08628041 0.59304485 0.07442094
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0.27297596 0.18045971 0.28026206
0.79992846 0.22699514 0.30654343
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0.88209829 0.18543084 0.44160537
0.77517334 0.99656757 0.58567911
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0.77554981 0.14211760 0.64398752
0.38974255 0.32602843 0.96905028
0.47625458 0.12346040 0.82827402
0.52407095 0.14971207 0.98358666
0.38267601 0.13555776 0.44606145
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0.85243076 0.45263233 0.84152173
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1.01439567 0.18134707 0.69273794
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0.04990503 0.33109685 0.73014284
0.33941306 0.48057396 0.55084590
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0.35230780 0.89524148 0.36358478
0.31811459 0.79866610 0.23504944
0.42052314 0.75668251 0.35039643
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0.16902460 0.80196112 0.09189340
0.19056353 0.90066498 0.97123703
0.25831297 0.91225013 0.55410742
0.13538869 -0.00314345 0.56061439
0.13153991 0.84146780 0.59790097
No title
1
14.536348 -0.293374 -0.468275
-0.296374 13.729277 -0.044899
-0.474346 -0.041487 13.445225
C H O N F
110 60 25 10 30
Direct configuration= 139
0.07189799 0.03608150 0.95240988
0.92607006 0.01357636 0.75674488
0.94946899 0.93541492 0.82401253
0.02029683 0.94836629 0.92196039
0.06378411 0.05602278 0.05493271
0.97369921 0.91593976 0.01449075
0.94724351 -0.01067747 0.65741495
0.98972318 0.85966674 0.75631191
0.96230207 0.98290750 0.18094374
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0.88598704 0.08056969 0.29869849
0.92857351 0.89681986 0.22286036
0.86686483 0.90307899 0.29611747
0.84173289 0.99354051 0.33000969
0.70893571 0.05472042 0.39559585
0.70431615 0.11277213 0.48278124
0.64645451 0.19280015 0.48339469
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0.58765347 0.20676506 0.40056517
0.87907072 0.18252500 0.34023055
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0.76806110 0.40693536 0.06980190
0.81335335 0.50429966 0.92808467
0.91189101 0.57567841 0.23906488
0.01288996 0.59738796 0.11243963
0.67498186 0.39312854 0.90701728
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0.54001563 0.27923395 0.87042064
0.66800687 0.41964228 0.80381223
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0.53323946 0.31136326 0.76743060
0.38099680 0.26251704 0.68294261
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0.32240334 0.30994304 0.74210514
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0.51382729 0.18783536 0.89343998
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0.66411015 0.84775662 0.78566173
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0.80086402 0.74404428 0.73122751
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0.65804600 0.95090078 0.82783523
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0.50719403 0.58723952 0.87925940
0.59552966 0.40136138 0.23792256
0.24194085 0.48152990 0.04373805
0.27298055 0.18046038 0.28026247
0.79992896 0.22699558 0.30654103
0.95014397 0.24281413 0.31356972
0.88209738 0.18543103 0.44160325
0.77518199 0.99655681 0.58567764
0.62246618 0.18177236 0.71272816
0.77555380 0.14211708 0.64399988
0.38974257 0.32602396 0.96904773
0.47625195 0.12345823 0.82826951
0.52407059 0.14970989 0.98358653
0.38268049 0.13556464 0.44606118
0.38086683 0.04405393 0.57845126
0.49141768 0.15447245 0.56494656
0.85243327 0.45262438 0.84152470
0.07396276 0.55641004 0.72096518
0.02869258 0.46510761 0.83824914
1.01438734 0.18135369 0.69273419
0.10581742 0.21341540 0.82499260
0.04990388 0.33109900 0.73014987
0.33941074 0.48057253 0.55084952
0.48709375 0.48674633 0.52480766
0.39304377 0.58012145 0.43995005
0.35230874 0.89524033 0.36358589
0.31811654 0.79866392 0.23505140
0.42052446 0.75668153 0.35040040
0.30941026 0.85834284 0.06530151
0.16901550 0.80195857 0.09188692
0.19056337 0.90066592 0.97123493
0.25831487 0.91224850 0.55410807
0.13539344 -0.00314100 0.56060973
0.13153737 0.84147055 0.59789501
No title
1
14.536535 -0.292922 -0.468186
-0.295990 13.728396 -0.045558
-0.474328 -0.042148 13.443882
C H O N F
110 60 25 10 30
Direct configuration= 140
0.07180795 0.03601343 0.95238939
0.92600374 0.01346670 0.75673360
0.94942725 0.93528033 0.82399530
0.02025991 0.94826416 0.92193603
0.06372543 0.05594138 0.05487579
0.97368680 0.91582991 0.01449142
0.94714332 -0.01079512 0.65735900
0.98967496 0.85956280 0.75624100
0.96227032 0.98283606 0.18095750
0.94472575 0.07305114 0.22186699
0.88597962 0.08054074 0.29873331
0.92852687 0.89675671 0.22289429
0.86682846 0.90304347 0.29616038
0.84170882 0.99351746 0.33005459
0.70889854 0.05473473 0.39558443
0.70426101 0.11284899 0.48273452
0.64641637 0.19291038 0.48327677
0.64940488 0.06948225 0.31320720
0.58645084 0.14302897 0.31808435
0.58763531 0.20682570 0.40040754
0.87907337 0.18250913 0.34026580
0.75252610 0.08561794 0.56930698
0.84443356 0.47351011 0.09573576
0.85367442 0.57554301 0.14215600
0.91922209 0.60337768 0.06006049
0.89489054 0.50483593 0.00862167
0.76802920 0.40695823 0.06981807
0.81329059 0.50439664 0.92812684
0.91184821 0.57559566 0.23918498
0.01286232 0.59739594 0.11255901
0.67494815 0.39315124 0.90703950
0.59113039 0.34551061 0.94829856
0.53998650 0.27924109 0.87047085
0.66797234 0.41963163 0.80381571
0.60185238 0.37965427 0.73760865
0.53322784 0.31132416 0.76745818
0.38099193 0.26248125 0.68293622
0.34505372 0.20765005 0.59989464
0.25185871 0.21286327 0.56986161
0.32240206 0.30999754 0.74205198
0.23161813 0.31911776 0.70705029
0.19611829 0.27385297 0.61905798
0.51382688 0.18783596 0.89350498
0.40050037 0.13680176 0.54819557
0.75030050 0.83622838 0.72158301
0.66410106 0.84770530 0.78555335
0.60547632 0.84800560 0.68571793
0.68702078 0.82325839 0.62595147
0.80086539 0.74396524 0.73114026
0.69479879 0.72076399 0.59169509
0.65804553 0.95086616 0.82773982
0.59134990 0.95477064 0.66766463
0.80742741 0.59312853 0.62993519
0.89764069 0.57905043 0.66419753
0.92586100 0.48367535 0.68752413
0.75356397 0.51443000 0.58775790
0.78438578 0.42087401 0.60150442
0.86212686 0.40230551 0.66378547
0.86608165 0.26852831 0.78422033
0.94859657 0.24422143 0.83395773
0.94878048 0.20704927 0.93054118
0.78285023 0.23948523 0.82159186
0.78310982 0.19335157 0.91399135
0.86531199 0.18203753 0.97114822
0.00900790 0.49488529 0.74841831
0.02972013 0.24226608 0.77295803
0.55443746 0.44701889 0.96139138
0.47415585 0.44116034 0.12919539
0.54481844 0.52408323 0.13316796
0.58613098 0.53316267 0.02785249
0.50003604 0.48431080 0.88069096
0.54869798 0.62211677 0.96982599
0.50583958 0.36319692 0.18610797
0.61520169 0.49026695 0.21062505
0.47619780 0.63609590 0.79189821
0.47204864 0.58366486 0.70181687
0.42767364 0.61735355 0.61524597
0.44613705 0.73105058 0.79171037
0.40905906 0.76891221 0.70257481
0.39550342 0.71196301 0.61625314
0.27682532 0.72353232 0.48729081
0.26084221 0.75011046 0.38765445
0.17252936 0.73444674 0.34187012
0.20913992 0.67392901 0.53790331
0.12161712 0.65804022 0.49137540
0.10240828 0.69122730 0.39489427
0.41167288 0.54333888 0.53152867
0.33778704 0.79944449 0.33483989
0.20940643 0.39691096 0.19124319
0.29449653 0.34118221 0.22949266
0.28507648 0.27434377 0.13706712
0.19338308 0.32603409 0.10236343
0.24357411 0.49173233 0.14879584
0.20420989 0.38856497 0.01218850
0.27849012 0.27581307 0.31582992
0.28203330 0.17165067 0.17776581
0.25432519 0.56068786 0.97791406
0.25013449 0.65465499 0.01512992
0.24171865 0.73641259 0.95487337
0.26113976 0.54889264 0.87535028
0.25743295 0.63030391 0.81519568
0.24508819 0.72472859 0.85068241
0.25726473 0.88953921 0.78336888
0.21533331 0.95412837 0.71413241
0.21875391 0.05303320 0.73904688
0.31911947 0.92726523 0.85840559
0.32201287 0.02612860 0.88170704
0.26746738 0.08861674 0.82519589
0.22844986 0.82443780 0.01882775
0.18436685 0.92650917 0.60876447
0.11994129 0.07710757 0.90917272
0.89429787 0.08009887 0.77669958
0.89044409 0.90179010 0.86106664
0.06470631 0.88904822 0.90151282
0.97820171 0.13832530 0.19359558
0.94698247 0.82664497 0.19431108
0.83428538 0.83795537 0.32675446
0.64101720 0.23044512 0.55419622
0.65171524 0.02433749 0.24661080
0.53534752 0.15320310 0.25669095
0.53615875 0.26211509 0.40186405
0.00213749 0.85971393 0.60289017
0.73651282 0.51815987 0.28279202
0.79050766 0.61562548 0.14615290
0.90883286 0.66927933 0.01549700
0.95123434 0.46205411 0.98402992
0.60659668 0.30740412 0.01810986
0.71959039 0.47056419 0.77778557
0.59860451 0.39987775 0.65940671
0.22338506 0.16957552 0.50652253
0.34787444 0.34312341 0.81206382
0.18955337 0.36108122 0.75317676
0.12492852 0.28138433 0.59126160
0.05818267 0.58192035 0.26485833
0.79909605 0.89924063 0.72776726
0.65370031 0.79173447 0.84188630
0.54237439 0.80354539 0.67277481
0.69543020 0.86911895 0.56082273
0.94195833 0.64122567 0.68968465
0.68666761 0.52762984 0.55017062
0.74173017 0.35831229 0.57374202
1.01417173 0.19646296 0.97184275
0.71790427 0.24318013 0.77628144
0.71828710 0.16449070 0.94062929
0.86411068 0.14955440 0.04486798
0.61974627 0.08888644 0.74546196
0.43490530 0.36745840 1.00875758
0.40291575 0.45014191 0.10375199
0.52097604 0.59576875 0.15520789
0.66132241 0.54833160 0.03347263
0.49966808 0.51230704 0.69860870
0.45365059 0.77446137 0.85989418
0.38987800 0.84456755 0.69827461
0.15941656 0.75651207 0.26475950
0.22217598 0.65634689 0.61592702
0.06685329 0.62374210 0.53228754
0.03169686 0.68530470 0.36306741
0.64049157 0.35605424 0.27382734
0.15591057 0.40747367 0.24349595
0.35694741 0.38697048 0.24672240
0.33754431 0.27837962 0.08342803
0.13168662 0.27777443 0.09400355
0.24792537 0.66472440 0.09465255
0.26874249 0.47802797 0.84187148
0.26451941 0.62073493 0.73596627
0.18243676 0.10234426 0.68900617
0.35747912 0.87783275 0.90658589
0.36285198 0.05219530 0.94797416
0.26505994 0.16511346 0.84539757
0.27452486 0.12129938 0.32559841
0.09572453 0.12535092 0.10770266
0.91594948 0.84904943 0.02021113
0.94468079 0.03569027 0.57879112
0.03511378 0.78969985 0.78268652
0.77566363 0.98781691 0.39923028
0.72240875 0.35027972 0.12071402
0.77271076 0.58018953 0.90540003
0.88383896 0.56169508 0.32255982
0.08626555 0.59314333 0.07454993
0.47577493 0.27995093 0.69281632
0.85651555 0.72097196 0.79710371
0.64615588 0.67644538 0.52741083
0.68563825 0.97990370 0.91132653
0.56943795 0.98793974 0.58541914
0.87114453 0.30658386 0.68748079
0.45296358 0.43737752 0.81489671
0.55428186 0.70679141 0.99846405
0.47916052 0.27838975 0.20188520
0.68625948 0.54710457 0.24061604
0.36006639 0.75563881 0.53176135
0.27476296 0.56201432 0.19801894
0.18418806 0.36567598 0.92554124
0.27192714 0.30402465 0.40119006
0.29256098 0.09530194 0.13410032
0.23455492 0.79148504 0.77448431
0.00655243 0.97856955 0.09210932
0.96987597 0.88873985 0.66013512
0.75069049 0.41929707 0.96441312
0.00252664 0.58747533 0.21496871
0.77230756 0.68483709 0.64499217
0.61813967 0.00754867 0.75275426
0.50726401 0.58731035 0.87926973
0.59547817 0.40146697 0.23803973
0.24189860 0.48152770 0.04379411
0.27284690 0.18041835 0.28026954
0.79992569 0.22698332 0.30659581
0.95013683 0.24279422 0.31357593
0.88212710 0.18543254 0.44164918
0.77500146 0.99666302 0.58577941
0.62249454 0.18176628 0.71279318
0.77554085 0.14231130 0.64392878
0.38973739 0.32614470 0.96911821
0.47628107 0.12342928 0.82833508
0.52408424 0.14972764 0.98366443
0.38254754 0.13536079 0.44606804
0.38103840 0.04399206 0.57859021
0.49142905 0.15454367 0.56477178
0.85236413 0.45286151 0.84146486
0.07395614 0.55648348 0.72101963
0.02867839 0.46498591 0.83816159
1.01459377 0.18115786 0.69283048
0.10598792 0.21354154 0.82504825
0.04995450 0.33101399 0.72997660
0.33948460 0.48062124 0.55073523
0.48719500 0.48666176 0.52484512
0.39328756 0.58012701 0.43989406
0.35229145 0.89527628 0.36357058
0.31806984 0.79872854 0.23500000
0.42050213 0.75670856 0.35030838
0.30955071 0.85846754 0.06523042
0.16923313 0.80203845 0.09205225
0.19056098 0.90066091 0.97128058
0.25826372 0.91230048 0.55409752
0.13527325 -0.00320728 0.56074076
0.13160008 0.84139907 0.59805152
No title
1
14.536595 -0.292720 -0.468157
-0.295814 13.728053 -0.045769
-0.474321 -0.042360 13.443483
C H O N F
110 60 25 10 30
Direct configuration= 141
0.07177887 0.03599015 0.95237035
0.92597963 0.01342924 0.75672396
0.94941722 0.93524591 0.82397773
0.02024218 0.94821483 0.92192517
0.06371593 0.05594641 0.05489991
0.97367086 0.91577650 0.01449054
0.94710435 -0.01082958 0.65736033
0.98967237 0.85950363 0.75622897
0.96225727 0.98280860 0.18096448
0.94472396 0.07303002 0.22187276
0.88597415 0.08052681 0.29874783
0.92851564 0.89673642 0.22289951
0.86681289 0.90302958 0.29617856
0.84170012 0.99351347 0.33007111
0.70887935 0.05474316 0.39557417
0.70424166 0.11287754 0.48272434
0.64640394 0.19294362 0.48322812
0.64940335 0.06947425 0.31319348
0.58645104 0.14302790 0.31804074
0.58762877 0.20684914 0.40035690
0.87907459 0.18250598 0.34027854
0.75249615 0.08566038 0.56930248
0.84442583 0.47351157 0.09574437
0.85366389 0.57553678 0.14219067
0.91921382 0.60338747 0.06009743
0.89488065 0.50485342 0.00863243
0.76802222 0.40697046 0.06982088
0.81326932 0.50443064 0.92814182
0.91183553 0.57556814 0.23921817
0.01285290 0.59739907 0.11260341
0.67493791 0.39316059 0.90704675
0.59112133 0.34551849 0.94831318
0.53997852 0.27924908 0.87048845
0.66796586 0.41963104 0.80382138
0.60183986 0.37963815 0.73760621
0.53322301 0.31131020 0.76746632
0.38098834 0.26247339 0.68294062
0.34505358 0.20762259 0.59989303
0.25186227 0.21284594 0.56985851
0.32240194 0.31001263 0.74202692
0.23162690 0.31915386 0.70701669
0.19612790 0.27385785 0.61902094
0.51382422 0.18782853 0.89352799
0.40050436 0.13677612 0.54819477
0.75029546 0.83621020 0.72154252
0.66409787 0.84768868 0.78551556
0.60547099 0.84798394 0.68567805
0.68701768 0.82324339 0.62590315
0.80085180 0.74394326 0.73109475
0.69482055 0.72076741 0.59164667
0.65804115 0.95085096 0.82769505
0.59133040 0.95474378 0.66764560
0.80743184 0.59311238 0.62988772
0.89764774 0.57904080 0.66414424
0.92587916 0.48367534 0.68749247
0.75356416 0.51439639 0.58773699
0.78439893 0.42084585 0.60149390
0.86214626 0.40229382 0.66375950
0.86614240 0.26853400 0.78420923
0.94863700 0.24423159 0.83394454
0.94883314 0.20707164 0.93054631
0.78288921 0.23950318 0.82157834
0.78316329 0.19337954 0.91399420
0.86534642 0.18207232 0.97114780
0.00901122 0.49488595 0.74839608
0.02977116 0.24225619 0.77295562
0.55444654 0.44703828 0.96139690
0.47414799 0.44119202 0.12921238
0.54481318 0.52411210 0.13318209
0.58613919 0.53318036 0.02786737
0.50004347 0.48432749 0.88069231
0.54872850 0.62217118 0.96984222
0.50582203 0.36323297 0.18614801
0.61518789 0.49029655 0.21065604
0.47622462 0.63612032 0.79189623
0.47209827 0.58367952 0.70181306
0.42771309 0.61735321 0.61523911
0.44613996 0.73106215 0.79170365
0.40905653 0.76891320 0.70256470
0.39551486 0.71195284 0.61623940
0.27683198 0.72351505 0.48727598
0.26083863 0.75011981 0.38763833
0.17252090 0.73447896 0.34186841
0.20915196 0.67389822 0.53787547
0.12162408 0.65803215 0.49136291
0.10240217 0.69125802 0.39488832
0.41172027 0.54333556 0.53151544
0.33777979 0.79945757 0.33482412
0.20938876 0.39691233 0.19126060
0.29447093 0.34117226 0.22951044
0.28505409 0.27433636 0.13707550
0.19336167 0.32603438 0.10237462
0.24355793 0.49171305 0.14880688
0.20419572 0.38857179 0.01222539
0.27844087 0.27580178 0.31585403
0.28200792 0.17164411 0.17776870
0.25432177 0.56068821 0.97793772
0.25014130 0.65465420 0.01515032
0.24173955 0.73641760 0.95489898
0.26114213 0.54888522 0.87536334
0.25744481 0.63030313 0.81521189
0.24510794 0.72472722 0.85070061
0.25728243 0.88954238 0.78338916
0.21535108 0.95413126 0.71415860
0.21877343 0.05304183 0.73906874
0.31914268 0.92726783 0.85843278
0.32202702 0.02613555 0.88173480
0.26749066 0.08862293 0.82522862
0.22848570 0.82445491 0.01884734
0.18436364 0.92650234 0.60879435
0.11989703 0.07709339 0.90914987
0.89428888 0.08006725 0.77670328
0.89042762 0.90173725 0.86105759
0.06469787 0.88901799 0.90150434
0.97820275 0.13830184 0.19360549
0.94696012 0.82661775 0.19432253
0.83426968 0.83794603 0.32677197
0.64100062 0.23050635 0.55414594
0.65171729 0.02431300 0.24659984
0.53535217 0.15319394 0.25663959
0.53615442 0.26213956 0.40179148
0.00211180 0.85968120 0.60285650
0.73649464 0.51819868 0.28283586
0.79049951 0.61561869 0.14619310
0.90882553 0.66929950 0.01555245
0.95122009 0.46207446 0.98402024
0.60658973 0.30741975 0.01812976
0.71957738 0.47055856 0.77778323
0.59859546 0.39985261 0.65940681
0.22338876 0.16953978 0.50652116
0.34787478 0.34315937 0.81204227
0.18956276 0.36114620 0.75311377
0.12494487 0.28140468 0.59121254
0.05816626 0.58188829 0.26490397
0.79909178 0.89922189 0.72773259
0.65370159 0.79171851 0.84185256
0.54237581 0.80351296 0.67273556
0.69542388 0.86911697 0.56078087
0.94196394 0.64122759 0.68961676
0.68665933 0.52758712 0.55016218
0.74174500 0.35827359 0.57374319
1.01421332 0.19649497 0.97185153
0.71795468 0.24319958 0.77627269
0.71832987 0.16452634 0.94062694
0.86415363 0.14960280 0.04487886
0.61972987 0.08886948 0.74544609
0.43488820 0.36749389 1.00881718
0.40290149 0.45018948 0.10379560
0.52097113 0.59580356 0.15521377
0.66133136 0.54834007 0.03350040
0.49974424 0.51233267 0.69861061
0.45363888 0.77447968 0.85988971
0.38986109 0.84456538 0.69825615
0.15939890 0.75656693 0.26476112
0.22220078 0.65627757 0.61589502
0.06686402 0.62372404 0.53226951
0.03168801 0.68535808 0.36307219
0.64046513 0.35609408 0.27388916
0.15589401 0.40748092 0.24351659
0.35692342 0.38695189 0.24675615
0.33752218 0.27837658 0.08343472
0.13166346 0.27777624 0.09401749
0.24792823 0.66472587 0.09467903
0.26873850 0.47802048 0.84188699
0.26453074 0.62073138 0.73597858
0.18245929 0.10235216 0.68903119
0.35750233 0.87783655 0.90660627
0.36286550 0.05219881 0.94801296
0.26508139 0.16512324 0.84542957
0.27446225 0.12128116 0.32559759
0.09569323 0.12530089 0.10767282
0.91596362 0.84900663 0.02021491
0.94462711 0.03566230 0.57876803
0.03508982 0.78967582 0.78264683
0.77565679 0.98781861 0.39924656
0.72238638 0.35029880 0.12072964
0.77267230 0.58022338 0.90545752
0.88381742 0.56165773 0.32260126
0.08626152 0.59317867 0.07459538
0.47577576 0.27992633 0.69282736
0.85649501 0.72093765 0.79707440
0.64617253 0.67642856 0.52730815
0.68565907 0.97990167 0.91128996
0.56939669 0.98792457 0.58537608
0.87119520 0.30657628 0.68746260
0.45297011 0.43740579 0.81490444
0.55432413 0.70679384 0.99845648
0.47913648 0.27843595 0.20194103
0.68624560 0.54714190 0.24065112
0.36007518 0.75561892 0.53174252
0.27477300 0.56202293 0.19805554
0.18416585 0.36567937 0.92552905
0.27185746 0.30400602 0.40118809
0.29254984 0.09528763 0.13409870
0.23457543 0.79148720 0.77450569
0.00654056 0.97854128 0.09210839
0.96985413 0.88870309 0.66010862
0.75068328 0.41930282 0.96441570
0.00251296 0.58744109 0.21501111
0.77230856 0.68481894 0.64493785
0.61811838 0.00753035 0.75272448
0.50728868 0.58733295 0.87927431
0.59545757 0.40151409 0.23807448
0.24188540 0.48153047 0.04380973
0.27280070 0.18040245 0.28027330
0.79992517 0.22697859 0.30661459
0.95013400 0.24278674 0.31357827
0.88213721 0.18543300 0.44166430
0.77493936 0.99669927 0.58581520
0.62250442 0.18176471 0.71281551
0.77553716 0.14238061 0.64390553
0.38973570 0.32618653 0.96914246
0.47629240 0.12342130 0.82835972
0.52408893 0.14973500 0.98369025
0.38250099 0.13528955 0.44607139
0.38109771 0.04397121 0.57863924
0.49143235 0.15456784 0.56471153
0.85233968 0.45294432 0.84144503
0.07395233 0.55650752 0.72103976
0.02867442 0.46494311 0.83813367
1.01466402 0.18109018 0.69286338
0.10604666 0.21358432 0.82506652
0.04997229 0.33098458 0.72991662
0.33951007 0.48063796 0.55069554
0.48723054 0.48663285 0.52485823
0.39337230 0.58012935 0.43987467
0.35228582 0.89528899 0.36356566
0.31805397 0.79875115 0.23498270
0.42049440 0.75671831 0.35027679
0.30959900 0.85851036 0.06520701
0.16930733 0.80206638 0.09210887
0.19056028 0.90065961 0.97129630
0.25824552 0.91231881 0.55409414
0.13523186 -0.00323054 0.56078654
0.13162130 0.84137450 0.59810539
No title
1
14.536806 -0.292280 -0.468076
-0.295436 13.727315 -0.046318
-0.474300 -0.042912 13.442404
C H O N F
110 60 25 10 30
Direct configuration= 142
0.07169714 0.03591948 0.95232640
0.92591572 0.01332794 0.75671523
0.94938294 0.93514319 0.82393851
0.02019939 0.94811074 0.92190808
0.06364614 0.05586178 0.05488053
0.97366514 0.91568048 0.01448763
0.94700952 -0.01092033 0.65731242
0.98962229 0.85941991 0.75616159
0.96222878 0.98273817 0.18097285
0.94471435 0.07297882 0.22189537
0.88596472 0.08049558 0.29878151
0.92847694 0.89667619 0.22292487
0.86677822 0.90299663 0.29621929
0.84167773 0.99349648 0.33011338
0.70884526 0.05475606 0.39556416
0.70418208 0.11295458 0.48267451
0.64637216 0.19303554 0.48311301
0.64939208 0.06945322 0.31314402
0.58645074 0.14302760 0.31792915
0.58761201 0.20690600 0.40021661
0.87907740 0.18249266 0.34031203
0.75242804 0.08576943 0.56931629
0.84440607 0.47351028 0.09577036
0.85363857 0.57551875 0.14227921
0.91919264 0.60341134 0.06019736
0.89484868 0.50490012 0.00865763
0.76799802 0.40699661 0.06983813
0.81321834 0.50452093 0.92818433
0.91179542 0.57549369 0.23932043
0.01282857 0.59740745 0.11271810
0.67490987 0.39318427 0.90706606
0.59109870 0.34554057 0.94835184
0.53995260 0.27925595 0.87053461
0.66793731 0.41962216 0.80382831
0.60181781 0.37960245 0.73760977
0.53321257 0.31127298 0.76749305
0.38098394 0.26244344 0.68293889
0.34505645 0.20755623 0.59989684
0.25187317 0.21279205 0.56984148
0.32240180 0.31006096 0.74197599
0.23164532 0.31924147 0.70691468
0.19615272 0.27388046 0.61893725
0.51382408 0.18782998 0.89358739
0.40051457 0.13670713 0.54819324
0.75028260 0.83616283 0.72143620
0.66408979 0.84764328 0.78541578
0.60545702 0.84792467 0.68557368
0.68701130 0.82320976 0.62577865
0.80080856 0.74389231 0.73096774
0.69484317 0.72073672 0.59146964
0.65803776 0.95081693 0.82760012
0.59126610 0.95469094 0.66754931
0.80744521 0.59306419 0.62975937
0.89766375 0.57902077 0.66400238
0.92592926 0.48367424 0.68741449
0.75356341 0.51430932 0.58768134
0.78442836 0.42077241 0.60146342
0.86220556 0.40226452 0.66369582
0.86627473 0.26855046 0.78417510
0.94876112 0.24425093 0.83392364
0.94895516 0.20713095 0.93055199
0.78301330 0.23955024 0.82155123
0.78328559 0.19345605 0.91398812
0.86545868 0.18216286 0.97115428
0.00901169 0.49487654 0.74833469
0.02990515 0.24223073 0.77294692
0.55447108 0.44709064 0.96141292
0.47412392 0.44127328 0.12925642
0.54480114 0.52418776 0.13321861
0.58616080 0.53322965 0.02790811
0.50007202 0.48438906 0.88070960
0.54880135 0.62220669 0.96984983
0.50577570 0.36333836 0.18624865
0.61515644 0.49039485 0.21073201
0.47629782 0.63617443 0.79189215
0.47222783 0.58372182 0.70180391
0.42781676 0.61734922 0.61521911
0.44614673 0.73109783 0.79168760
0.40904888 0.76891470 0.70253373
0.39554617 0.71192925 0.61620855
0.27685072 0.72347330 0.48722902
0.26083184 0.75014305 0.38760340
0.17249758 0.73456539 0.34185830
0.20918509 0.67381513 0.53781029
0.12163929 0.65801320 0.49132134
0.10238702 0.69133611 0.39488030
0.41184716 0.54332785 0.53148194
0.33775972 0.79949270 0.33478184
0.20934076 0.39691300 0.19130836
0.29440369 0.34114466 0.22956019
0.28499663 0.27431758 0.13709941
0.19330439 0.32603232 0.10240795
0.24354050 0.49172263 0.14887257
0.20414222 0.38857428 0.01223927
0.27831565 0.27575481 0.31585551
0.28194141 0.17162480 0.17778233
0.25431412 0.56068593 0.97798649
0.25015865 0.65465750 0.01521134
0.24179462 0.73642935 0.95496176
0.26114738 0.54887135 0.87540510
0.25747649 0.63029499 0.81525268
0.24515912 0.72472889 0.85075363
0.25733419 0.88955191 0.78344969
0.21539635 0.95414203 0.71422495
0.21882935 0.05306203 0.73913328
0.31919838 0.92727633 0.85849739
0.32207133 0.02614943 0.88181624
0.26754481 0.08864301 0.82530553
0.22858104 0.82450106 0.01890059
0.18435309 0.92648342 0.60887304
0.11978067 0.07705577 0.90908818
0.89426167 0.07999055 0.77671473
0.89039097 0.90160410 0.86102960
0.06468116 0.88893215 0.90147916
0.97820388 0.13823903 0.19363239
0.94690179 0.82654613 0.19435204
0.83422741 0.83791965 0.32681890
0.64095723 0.23066556 0.55400922
0.65172324 0.02424927 0.24657284
0.53536384 0.15316932 0.25650332
0.53614072 0.26220639 0.40160081
0.00204404 0.85959708 0.60276635
0.73644800 0.51830032 0.28295223
0.79047633 0.61560220 0.14629934
0.90880622 0.66935410 0.01569739
0.95118319 0.46212798 0.98399529
0.60657173 0.30746084 0.01818214
0.71954540 0.47054565 0.77777593
0.59857138 0.39978699 0.65940397
0.22339946 0.16944738 0.50652026
0.34787413 0.34325160 0.81198028
0.18958606 0.36131905 0.75295046
0.12498704 0.28145770 0.59108274
0.05812397 0.58180382 0.26502524
0.79908025 0.89917177 0.72764115
0.65370510 0.79167706 0.84176305
0.54237951 0.80342765 0.67263182
0.69540709 0.86911155 0.56067069
0.94197682 0.64122981 0.68943762
0.68663912 0.52747464 0.55014050
0.74178496 0.35817261 0.57374714
1.01432829 0.19657895 0.97187708
0.71808106 0.24325104 0.77624571
0.71844588 0.16462116 0.94062078
0.86426554 0.14973060 0.04490622
0.61968671 0.08882732 0.74540319
0.43484353 0.36758750 1.00897423
0.40286610 0.45031454 0.10391142
0.52095798 0.59589502 0.15522997
0.66135458 0.54836189 0.03357355
0.49994518 0.51239877 0.69861553
0.45360766 0.77452765 0.85987677
0.38981662 0.84455993 0.69820761
0.15935277 0.75671098 0.26476732
0.22226561 0.65609571 0.61580800
0.06689173 0.62367600 0.53222291
0.03166370 0.68549856 0.36308412
0.64038948 0.35620566 0.27404694
0.15585042 0.40750032 0.24357052
0.35685996 0.38690318 0.24684452
0.33746383 0.27836873 0.08345222
0.13160302 0.27778232 0.09405331
0.24793594 0.66472898 0.09474697
0.26872823 0.47799786 0.84192673
0.26456049 0.62072248 0.73601170
0.18251700 0.10237503 0.68909498
0.35756504 0.87784480 0.90666213
0.36289935 0.05220741 0.94811240
0.26513811 0.16514878 0.84551420
0.27429781 0.12123108 0.32559554
0.09565112 0.12525420 0.10766025
0.91597011 0.84885937 0.02022867
0.94448612 0.03557640 0.57873460
0.03506733 0.78954916 0.78256790
0.77562858 0.98783149 0.39929092
0.72233495 0.35035851 0.12076153
0.77256955 0.58031440 0.90560623
0.88376521 0.56156183 0.32269802
0.08624972 0.59327112 0.07471568
0.47577181 0.27985954 0.69285399
0.85644870 0.72084381 0.79700634
0.64624802 0.67641459 0.52708111
0.68570727 0.97989001 0.91117521
0.56929954 0.98786910 0.58530112
0.87132976 0.30655540 0.68741376
0.45297821 0.43747136 0.81491313
0.55444044 0.70689560 0.99846823
0.47907251 0.27854995 0.20208942
0.68620497 0.54723812 0.24074153
0.36009652 0.75556659 0.53169170
0.27477748 0.56199628 0.19811872
0.18412340 0.36570557 0.92556717
0.27167070 0.30397405 0.40123733
0.29251949 0.09525177 0.13409394
0.23462855 0.79149126 0.77456132
0.00650669 0.97846528 0.09211187
0.96979518 0.88860773 0.66004858
0.75066613 0.41931784 0.96442310
0.00247713 0.58735146 0.21512168
0.77231147 0.68477401 0.64479657
0.61806226 0.00748104 0.75264684
0.50735199 0.58739797 0.87928455
0.59540960 0.40161293 0.23817848
0.24184770 0.48152960 0.04385929
0.27267907 0.18036216 0.28028210
0.79992276 0.22696724 0.30666327
0.95012768 0.24276795 0.31358402
0.88216352 0.18543448 0.44170593
0.77477362 0.99680543 0.58590526
0.62253028 0.18175867 0.71287423
0.77552403 0.14255508 0.64383238
0.38973145 0.32629652 0.96920667
0.47631948 0.12339493 0.82842040
0.52410123 0.14975131 0.98376274
0.38237832 0.13510249 0.44607945
0.38125314 0.04391513 0.57876907
0.49144116 0.15463153 0.56455366
0.85227599 0.45316082 0.84139173
0.07395081 0.55658142 0.72109043
0.02866507 0.46482943 0.83806359
1.01484785 0.18091219 0.69295000
0.10620100 0.21369534 0.82511561
0.05001911 0.33090602 0.72975967
0.33957715 0.48068217 0.55059092
0.48732479 0.48655607 0.52489264
0.39359447 0.58013595 0.43982327
0.35227117 0.89532323 0.36355335
0.31801229 0.79881094 0.23493633
0.42047431 0.75674371 0.35019433
0.30972660 0.85862302 0.06514642
0.16950127 0.80213978 0.09225671
0.19055821 0.90065628 0.97133747
0.25819838 0.91236700 0.55408531
0.13512369 -0.00329171 0.56090757
0.13167776 0.84130989 0.59824706
No title
1
14.536904 -0.292015 -0.468013
-0.295211 13.726781 -0.046693
-0.474279 -0.043287 13.441607
C H O N F
110 60 25 10 30
Direct configuration= 143
0.07164442 0.03587098 0.95230456
0.92587655 0.01326790 0.75669327
0.94934813 0.93506546 0.82392929
0.02017232 0.94805526 0.92189367
0.06360472 0.05580993 0.05486200
0.97364516 0.91560042 0.01448996
0.94694737 -0.01098085 0.65729678
0.98960577 0.85934340 0.75612243
0.96220978 0.98269846 0.18098282
0.94470342 0.07294102 0.22191496
0.88596326 0.08048075 0.29879863
0.92844663 0.89663793 0.22294701
0.86675945 0.90297777 0.29624134
0.84166421 0.99348038 0.33013904
0.70882570 0.05476320 0.39555879
0.70415604 0.11299303 0.48265684
0.64634738 0.19310314 0.48304775
0.64938464 0.06943919 0.31311175
0.58644733 0.14303095 0.31785744
0.58760269 0.20693672 0.40012110
0.87907905 0.18248143 0.34033137
0.75236942 0.08584806 0.56929428
0.84439746 0.47351410 0.09578627
0.85362467 0.57550583 0.14233437
0.91917890 0.60342439 0.06026419
0.89483101 0.50492897 0.00867579
0.76797309 0.40700415 0.06985200
0.81318338 0.50458034 0.92820855
0.91176997 0.57544562 0.23938789
0.01281401 0.59741228 0.11278794
0.67488920 0.39319665 0.90707963
0.59108513 0.34555698 0.94837589
0.53993524 0.27925770 0.87056355
0.66791346 0.41961399 0.80382483
0.60180988 0.37958149 0.73762333
0.53320609 0.31125001 0.76751027
0.38098251 0.26241948 0.68293101
0.34506023 0.20751698 0.59990430
0.25188144 0.21275259 0.56982541
0.32240124 0.31009550 0.74194930
0.23165554 0.31929373 0.70684331
0.19616781 0.27390021 0.61889137
0.51382547 0.18783490 0.89362598
0.40051976 0.13666320 0.54819282
0.75027117 0.83613516 0.72136538
0.66408445 0.84761287 0.78535176
0.60544856 0.84788660 0.68550661
0.68700704 0.82319054 0.62569872
0.80082467 0.74383686 0.73093315
0.69484934 0.72070920 0.59134406
0.65803635 0.95079503 0.82754022
0.59122617 0.95465608 0.66749108
0.80744988 0.59302593 0.62967468
0.89768062 0.57901471 0.66391510
0.92594099 0.48366316 0.68735119
0.75356542 0.51426173 0.58764771
0.78444362 0.42071963 0.60144040
0.86225133 0.40224677 0.66366299
0.86634607 0.26856085 0.78415327
0.94884949 0.24425829 0.83391988
0.94902319 0.20716942 0.93054916
0.78310291 0.23958073 0.82153751
0.78335296 0.19350639 0.91397738
0.86554327 0.18222005 0.97116251
0.00903490 0.49487567 0.74831966
0.02998916 0.24221616 0.77293898
0.55448882 0.44712194 0.96142545
0.47410782 0.44132616 0.12928393
0.54479315 0.52423709 0.13324151
0.58617416 0.53325971 0.02793330
0.50008567 0.48442611 0.88071346
0.54884977 0.62226866 0.96986621
0.50574626 0.36340157 0.18631484
0.61513511 0.49045527 0.21078035
0.47634483 0.63620879 0.79188896
0.47231163 0.58374783 0.70180052
0.42788217 0.61734739 0.61520418
0.44615141 0.73112102 0.79167830
0.40904320 0.76891592 0.70251127
0.39556720 0.71191463 0.61619111
0.27686260 0.72344849 0.48719399
0.26082828 0.75015702 0.38758521
0.17248259 0.73462164 0.34184943
0.20920727 0.67376108 0.53777301
0.12164743 0.65800245 0.49129035
0.10237781 0.69138482 0.39487906
0.41192708 0.54332208 0.53146131
0.33774702 0.79951598 0.33475480
0.20930944 0.39691368 0.19133865
0.29436003 0.34112721 0.22958946
0.28496027 0.27430719 0.13711426
0.19326880 0.32603236 0.10242904
0.24352375 0.49171612 0.14890488
0.20411326 0.38858205 0.01227112
0.27823169 0.27573999 0.31590576
0.28190247 0.17158303 0.17777309
0.25430940 0.56068032 0.97801404
0.25016952 0.65466349 0.01525342
0.24183021 0.73643641 0.95500089
0.26115046 0.54886698 0.87543459
0.25749705 0.63028696 0.81527931
0.24519161 0.72473171 0.85079056
0.25736976 0.88955717 0.78349239
0.21542444 0.95415048 0.71426553
0.21886721 0.05307339 0.73917807
0.31923108 0.92728480 0.85853521
0.32210371 0.02615445 0.88187283
0.26757565 0.08865842 0.82535004
0.22864134 0.82453063 0.01893443
0.18434565 0.92647064 0.60892470
0.11970635 0.07703211 0.90904723
0.89424500 0.07993898 0.77672191
0.89037765 0.90152375 0.86100532
0.06467296 0.88887283 0.90146091
0.97820562 0.13820099 0.19364865
0.94686507 0.82649800 0.19436951
0.83420024 0.83790243 0.32684890
0.64093003 0.23076398 0.55391549
0.65172719 0.02420837 0.24655558
0.53537299 0.15315304 0.25641733
0.53613038 0.26225054 0.40147869
0.00199920 0.85954465 0.60271372
0.73641715 0.51836633 0.28302590
0.79045988 0.61559212 0.14636727
0.90879382 0.66939003 0.01578974
0.95115791 0.46216369 0.98397978
0.60656035 0.30748755 0.01821550
0.71952560 0.47053757 0.77777134
0.59855590 0.39974577 0.65939786
0.22340704 0.16938950 0.50652211
0.34787342 0.34330994 0.81193823
0.18960051 0.36143034 0.75284668
0.12501410 0.28149109 0.59099969
0.05809766 0.58174973 0.26510379
0.79907396 0.89913993 0.72758277
0.65370751 0.79165094 0.84170495
0.54238195 0.80337284 0.67256501
0.69539669 0.86910783 0.56060018
0.94198342 0.64123007 0.68932215
0.68662535 0.52740237 0.55012590
0.74181183 0.35810971 0.57375087
1.01440530 0.19663211 0.97189538
0.71815908 0.24328408 0.77622744
0.71852209 0.16468257 0.94061708
0.86433646 0.14981256 0.04492346
0.61965901 0.08880032 0.74537576
0.43481472 0.36764742 1.00907479
0.40284389 0.45039453 0.10398597
0.52094968 0.59595281 0.15523969
0.66136929 0.54837604 0.03362014
0.50007335 0.51244183 0.69861871
0.45358786 0.77455810 0.85986816
0.38978840 0.84455589 0.69817665
0.15932349 0.75680325 0.26477263
0.22230673 0.65597961 0.61575054
0.06690960 0.62364502 0.53219337
0.03164814 0.68558858 0.36309167
0.64034116 0.35627703 0.27414777
0.15582222 0.40751244 0.24360487
0.35681923 0.38687197 0.24690154
0.33742625 0.27836353 0.08346388
0.13156398 0.27778617 0.09407593
0.24794093 0.66473117 0.09478901
0.26872194 0.47798243 0.84195185
0.26457936 0.62071719 0.73603312
0.18255315 0.10239074 0.68913481
0.35760631 0.87784893 0.90669912
0.36292005 0.05221260 0.94817422
0.26517467 0.16516485 0.84556839
0.27419256 0.12119811 0.32559512
0.09562310 0.12522323 0.10765142
0.91598942 0.84878378 0.02023693
0.94439565 0.03552367 0.57870906
0.03504087 0.78948729 0.78251270
0.77560784 0.98784107 0.39932108
0.72230628 0.35040101 0.12077840
0.77250519 0.58037126 0.90570168
0.88373236 0.56150099 0.32275742
0.08624031 0.59333048 0.07479440
0.47576820 0.27981622 0.69287127
0.85638132 0.72079983 0.79691849
0.64630265 0.67641112 0.52694328
0.68573763 0.97988197 0.91110051
0.56923718 0.98783490 0.58524967
0.87141480 0.30654507 0.68737961
0.45298627 0.43751551 0.81492199
0.55451145 0.70692624 0.99846418
0.47903259 0.27862633 0.20218388
0.68618036 0.54729972 0.24080017
0.36011002 0.75553307 0.53165982
0.27478444 0.56198989 0.19816689
0.18409204 0.36571710 0.92557139
0.27155442 0.30394004 0.40122622
0.29249616 0.09525452 0.13410554
0.23466215 0.79149477 0.77459564
0.00648456 0.97841341 0.09210824
0.96975751 0.88855032 0.66000387
0.75066006 0.41932992 0.96443006
0.00245126 0.58729395 0.21519317
0.77231141 0.68475133 0.64470802
0.61802549 0.00744920 0.75259448
0.50739286 0.58743807 0.87929195
0.59537938 0.40167821 0.23824412
0.24182432 0.48153080 0.04389256
0.27260126 0.18033767 0.28028429
0.79992149 0.22696034 0.30669405
0.95012408 0.24275557 0.31358779
0.88218025 0.18543559 0.44173381
0.77467040 0.99685972 0.58596724
0.62254738 0.18175397 0.71291124
0.77552114 0.14267711 0.64379982
0.38972928 0.32636785 0.96924873
0.47633649 0.12337713 0.82845896
0.52410885 0.14976180 0.98380953
0.38229980 0.13498149 0.44608517
0.38135299 0.04387922 0.57885366
0.49144675 0.15467158 0.56445273
0.85223552 0.45329958 0.84135798
0.07394277 0.55662284 0.72112526
0.02865493 0.46476034 0.83800193
1.01496488 0.18079873 0.69300579
0.10629939 0.21376517 0.82514645
0.05004918 0.33085375 0.72965989
0.33962106 0.48071112 0.55052411
0.48738534 0.48650765 0.52491427
0.39373782 0.58014071 0.43979086
0.35226189 0.89534512 0.36354583
0.31798620 0.79884965 0.23490773
0.42046182 0.75675991 0.35014259
0.30980668 0.85869501 0.06510801
0.16962416 0.80218671 0.09234974
0.19055748 0.90065415 0.97136388
0.25816896 0.91239804 0.55407936
0.13505397 -0.00333024 0.56098534
0.13171446 0.84126950 0.59833741
No title
1
14.537057 -0.291621 -0.467912
-0.294871 13.726115 -0.047172
-0.474231 -0.043767 13.440692
C H O N F
110 60 25 10 30
Direct configuration= 144
0.07157931 0.03581519 0.95227865
0.92582487 0.01318504 0.75666290
0.94930797 0.93496736 0.82390913
0.02013116 0.94796145 0.92186278
0.06356776 0.05577665 0.05486277
0.97363113 0.91550792 0.01448673
0.94686199 -0.01105642 0.65728006
0.98957907 0.85924632 0.75606958
0.96218230 0.98264072 0.18099964
0.94469300 0.07289257 0.22193618
0.88595583 0.08045606 0.29882682
0.92841251 0.89659156 0.22296806
0.86672819 0.90294697 0.29627726
0.84164558 0.99346523 0.33017442
0.70879164 0.05477633 0.39554480
0.70411143 0.11305363 0.48262287
0.64631634 0.19318542 0.48295026
0.64937839 0.06941982 0.31307382
0.58644543 0.14303088 0.31775956
0.58758800 0.20698482 0.40000005
0.87908181 0.18246950 0.34035881
0.75230466 0.08594587 0.56929039
0.84438415 0.47351799 0.09580717
0.85360337 0.57548933 0.14240958
0.91916071 0.60344439 0.06035159
0.89480880 0.50496690 0.00870106
0.76795260 0.40702866 0.06985935
0.81313675 0.50465623 0.92824202
0.91174000 0.57538290 0.23946640
0.01278987 0.59741809 0.11288487
0.67486309 0.39321518 0.90709660
0.59106686 0.34557737 0.94840916
0.53991447 0.27926741 0.87060284
0.66789261 0.41960938 0.80383007
0.60178876 0.37954743 0.73762913
0.53319752 0.31121960 0.76753064
0.38097762 0.26239576 0.68293238
0.34506227 0.20745909 0.59990693
0.25189146 0.21270760 0.56981294
0.32240069 0.31013478 0.74190117
0.23167284 0.31937010 0.70675959
0.19618879 0.27391746 0.61881767
0.51382362 0.18783050 0.89367832
0.40052765 0.13660385 0.54819280
0.75025987 0.83609210 0.72127319
0.66407835 0.84757360 0.78526484
0.60543678 0.84783641 0.68541567
0.68700188 0.82315921 0.62559016
0.80077118 0.74380148 0.73080665
0.69488843 0.72070354 0.59122024
0.65802979 0.95076160 0.82744757
0.59117702 0.95460372 0.66742678
0.80745827 0.59298704 0.62956621
0.89769775 0.57899681 0.66379607
0.92597410 0.48365707 0.68727538
0.75356712 0.51418864 0.58760066
0.78447022 0.42065548 0.60141420
0.86230056 0.40222027 0.66361094
0.86646391 0.26857393 0.78412719
0.94895274 0.24427466 0.83390118
0.94913038 0.20721859 0.93055409
0.78320428 0.23962144 0.82151293
0.78345993 0.19357166 0.91397483
0.86563647 0.18229695 0.97116655
0.00904800 0.49487833 0.74827860
0.03010177 0.24219400 0.77293094
0.55451187 0.44716511 0.96144049
0.47408931 0.44139634 0.12932202
0.54478191 0.52430279 0.13327155
0.58619289 0.53330110 0.02796778
0.50010658 0.48447701 0.88072239
0.54891320 0.62233153 0.96988277
0.50570749 0.36348838 0.18640277
0.61510515 0.49052984 0.21084684
0.47640730 0.63625736 0.79188640
0.47242308 0.58378229 0.70179309
0.42797068 0.61734563 0.61518677
0.44615783 0.73114990 0.79166379
0.40903667 0.76891841 0.70248480
0.39559433 0.71189328 0.61616404
0.27687821 0.72341241 0.48715524
0.26082157 0.75017751 0.38755412
0.17246334 0.73469568 0.34184226
0.20923530 0.67369055 0.53771595
0.12166121 0.65798609 0.49125661
0.10236447 0.69145261 0.39487076
0.41203408 0.54331471 0.53143287
0.33773079 0.79954731 0.33472043
0.20926828 0.39691540 0.19137884
0.29430138 0.34110258 0.22963150
0.28491076 0.27429060 0.13713505
0.19322106 0.32603254 0.10245676
0.24349993 0.49170490 0.14894933
0.20407292 0.38858979 0.01230803
0.27812398 0.27569979 0.31591057
0.28184340 0.17158263 0.17779150
0.25430273 0.56067878 0.97805963
0.25018443 0.65466607 0.01530492
0.24187781 0.73644797 0.95505713
0.26115552 0.54885530 0.87546918
0.25752403 0.63028167 0.81531634
0.24523534 0.72473215 0.85083563
0.25741281 0.88956544 0.78354279
0.21546374 0.95415829 0.71432300
0.21891396 0.05309107 0.73923211
0.31928038 0.92729325 0.85859247
0.32214104 0.02616669 0.88194150
0.26762348 0.08867537 0.82541783
0.22872146 0.82456990 0.01897861
0.18433604 0.92645457 0.60899313
0.11960623 0.07700003 0.90899226
0.89422486 0.07986567 0.77672886
0.89035391 0.90141259 0.86097484
0.06465807 0.88879857 0.90143854
0.97820794 0.13814932 0.19367053
0.94681552 0.82643307 0.19439322
0.83416503 0.83788149 0.32688790
0.64089271 0.23089880 0.55379533
0.65173238 0.02415324 0.24653178
0.53538393 0.15313164 0.25630062
0.53611880 0.26230657 0.40131458
0.00194027 0.85947495 0.60264202
0.73637582 0.51845475 0.28312455
0.79043931 0.61557737 0.14645765
0.90877744 0.66943616 0.01591485
0.95112370 0.46221173 0.98395900
0.60654484 0.30752355 0.01825952
0.71949750 0.47052522 0.77776552
0.59853576 0.39968974 0.65939305
0.22341615 0.16930983 0.50652204
0.34787400 0.34339038 0.81188636
0.18962122 0.36157766 0.75270587
0.12505064 0.28153582 0.59088960
0.05806121 0.58167747 0.26520797
0.79906579 0.89909785 0.72750413
0.65371036 0.79161522 0.84162738
0.54238542 0.80329934 0.67247519
0.69538359 0.86910342 0.56050547
0.94199571 0.64123415 0.68916898
0.68660689 0.52730583 0.55010636
0.74184594 0.35802254 0.57375470
1.01450277 0.19670353 0.97191652
0.71826826 0.24332806 0.77620651
0.71862033 0.16476360 0.94061295
0.86443231 0.14992152 0.04494858
0.61962203 0.08876268 0.74533906
0.43477679 0.36772835 1.00921018
0.40281251 0.45050176 0.10408564
0.52093857 0.59603008 0.15525253
0.66138857 0.54839504 0.03368227
0.50024475 0.51249967 0.69862302
0.45356151 0.77459952 0.85985719
0.38975064 0.84455068 0.69813497
0.15928422 0.75692745 0.26477846
0.22236220 0.65582373 0.61567628
0.06693382 0.62360396 0.53215309
0.03162828 0.68570911 0.36310245
0.64027907 0.35637013 0.27428460
0.15578382 0.40752859 0.24365081
0.35676456 0.38683036 0.24697773
0.33737656 0.27835737 0.08347940
0.13151196 0.27779138 0.09410577
0.24794762 0.66473481 0.09484777
0.26871337 0.47796448 0.84198705
0.26460468 0.62071004 0.73606145
0.18260254 0.10241021 0.68918973
0.35766014 0.87785618 0.90674657
0.36294949 0.05222018 0.94825905
0.26522325 0.16518737 0.84564064
0.27405162 0.12115551 0.32559305
0.09556991 0.12515019 0.10761572
0.91600320 0.84866835 0.02024983
0.94427447 0.03545176 0.57867653
0.03500720 0.78940035 0.78243957
0.77558637 0.98784926 0.39935934
0.72225822 0.35044533 0.12081177
0.77241892 0.58045043 0.90582798
0.88368463 0.56141791 0.32284688
0.08623166 0.59340978 0.07489759
0.47576686 0.27975947 0.69289501
0.85635586 0.72071209 0.79687711
0.64634966 0.67638220 0.52672308
0.68578173 0.97987461 0.91101012
0.56915058 0.98779374 0.58516836
0.87152856 0.30652914 0.68733705
0.45299606 0.43757312 0.81493170
0.55460682 0.70698441 0.99846438
0.47897856 0.27872658 0.20231092
0.68614819 0.54738343 0.24087847
0.36012876 0.75548883 0.53161743
0.27479424 0.56198366 0.19823257
0.18405181 0.36573507 0.92558317
0.27139447 0.30391126 0.40126387
0.29247135 0.09521052 0.13409335
0.23470759 0.79149932 0.77464318
0.00645280 0.97834362 0.09210780
0.96970716 0.88847217 0.65994958
0.75064922 0.41934526 0.96443799
0.00241835 0.58721692 0.21529039
0.77231376 0.68470916 0.64458378
0.61797641 0.00740702 0.75252464
0.50744660 0.58749236 0.87930010
0.59533711 0.40177440 0.23832727
0.24179338 0.48153340 0.04393379
0.27249651 0.18030192 0.28029250
0.79992036 0.22695044 0.30673511
0.95011910 0.24273832 0.31359298
0.88220236 0.18543631 0.44176938
0.77452849 0.99694328 0.58604762
0.62257014 0.18174875 0.71296076
0.77551430 0.14283390 0.64374552
0.38972635 0.32646347 0.96930455
0.47636112 0.12335645 0.82851340
0.52411909 0.14977721 0.98387171
0.38219469 0.13481899 0.44609417
0.38148635 0.04383155 0.57896804
0.49145358 0.15472443 0.56431778
0.85218202 0.45348534 0.84131390
0.07393325 0.55667737 0.72117247
0.02864482 0.46466409 0.83793208
1.01512033 0.18064758 0.69307966
0.10643162 0.21385744 0.82518672
0.05008908 0.33078429 0.72952627
0.33968045 0.48074992 0.55043452
0.48746728 0.48644291 0.52494286
0.39393071 0.58014702 0.43974777
0.35224964 0.89537494 0.36353629
0.31795156 0.79890144 0.23486896
0.42044497 0.75678195 0.35007390
0.30991364 0.85879119 0.06505793
0.16978705 0.80224891 0.09247318
0.19055711 0.90065183 0.97139916
0.25812931 0.91243983 0.55407173
0.13496079 -0.00338192 0.56108964
0.13176321 0.84121489 0.59845782
No title
1
14.537152 -0.291380 -0.467877
-0.294661 13.725772 -0.047441
-0.474227 -0.044040 13.440088
C H O N F
110 60 25 10 30
Direct configuration= 145
0.07154347 0.03579296 0.95227232
0.92579520 0.01313508 0.75666864
0.94929697 0.93491870 0.82388903
0.02011261 0.94791221 0.92184942
0.06353436 0.05572200 0.05481888
0.97363252 0.91546828 0.01448422
0.94681860 -0.01110121 0.65724370
0.98954779 0.85921483 0.75603574
0.96216913 0.98260587 0.18100253
0.94468956 0.07287230 0.22194615
0.88594933 0.08043981 0.29884502
0.92839465 0.89656152 0.22297876
0.86671044 0.90293150 0.29629762
0.84163550 0.99345836 0.33019424
0.70877570 0.05478206 0.39553993
0.70408090 0.11309234 0.48259993
0.64630207 0.19322536 0.48289243
0.64937216 0.06941084 0.31305116
0.58644620 0.14302928 0.31770611
0.58758056 0.20701120 0.39993509
0.87908338 0.18246362 0.34037488
0.75227688 0.08599691 0.56930073
0.84437549 0.47352343 0.09581445
0.85359134 0.57548340 0.14245205
0.91915137 0.60345648 0.06039858
0.89480044 0.50499008 0.00871675
0.76793353 0.40703221 0.06986682
0.81310890 0.50469637 0.92825954
0.91171975 0.57534613 0.23952139
0.01277976 0.59742138 0.11293818
0.67484984 0.39322759 0.90710483
0.59105641 0.34558711 0.94842759
0.53990229 0.27927042 0.87062484
0.66788034 0.41960478 0.80383601
0.60177776 0.37953051 0.73762743
0.53319271 0.31120164 0.76754390
0.38097585 0.26238235 0.68293249
0.34506366 0.20742736 0.59990869
0.25189647 0.21268300 0.56980628
0.32240126 0.31015762 0.74187690
0.23168148 0.31941155 0.70671206
0.19620096 0.27392702 0.61877781
0.51382390 0.18783203 0.89370698
0.40053246 0.13657048 0.54819353
0.75025376 0.83607213 0.72122174
0.66407440 0.84755114 0.78521682
0.60543053 0.84780783 0.68536587
0.68699915 0.82314468 0.62553088
0.80077200 0.74376666 0.73076933
0.69488549 0.72067452 0.59111689
0.65803066 0.95074768 0.82740874
0.59114429 0.95458287 0.66737020
0.80746583 0.59296358 0.62950753
0.89770437 0.57898611 0.66373056
0.92600087 0.48365704 0.68723756
0.75356723 0.51414757 0.58757401
0.78448528 0.42062104 0.60139972
0.86232470 0.40220400 0.66358070
0.86652791 0.26858101 0.78411211
0.94900939 0.24428403 0.83389023
0.94918933 0.20724560 0.93055827
0.78326058 0.23964375 0.82150014
0.78351908 0.19360754 0.91397360
0.86568720 0.18233918 0.97116904
0.00904128 0.49487791 0.74824775
0.03016395 0.24218051 0.77292694
0.55452465 0.44718990 0.96144860
0.47407762 0.44143451 0.12934155
0.54477684 0.52433828 0.13328789
0.58620327 0.53332557 0.02798802
0.50011970 0.48450783 0.88072957
0.54894623 0.62233704 0.96988302
0.50568621 0.36353893 0.18644978
0.61509260 0.49058183 0.21088150
0.47644162 0.63628259 0.79188408
0.47248315 0.58380309 0.70178812
0.42802006 0.61734339 0.61517816
0.44616114 0.73116688 0.79165577
0.40903359 0.76891872 0.70247056
0.39560902 0.71188262 0.61614908
0.27688716 0.72339285 0.48713407
0.26081852 0.75018900 0.38753757
0.17245243 0.73473639 0.34183820
0.20925065 0.67365181 0.53768483
0.12166865 0.65797722 0.49123754
0.10235760 0.69148977 0.39486692
0.41209464 0.54331140 0.53141693
0.33772187 0.79956445 0.33470149
0.20924517 0.39691531 0.19140163
0.29426991 0.34109022 0.22965490
0.28488397 0.27428270 0.13714659
0.19319379 0.32603135 0.10247282
0.24349490 0.49171785 0.14898569
0.20404655 0.38858977 0.01230565
0.27806383 0.27568118 0.31592154
0.28181373 0.17155742 0.17778892
0.25429935 0.56067947 0.97808337
0.25019260 0.65466745 0.01533368
0.24190423 0.73645401 0.95508723
0.26115830 0.54884851 0.87548943
0.25753893 0.63027882 0.81533556
0.24525923 0.72473351 0.85086094
0.25743696 0.88957068 0.78357110
0.21548531 0.95416298 0.71435469
0.21894000 0.05310090 0.73926228
0.31930738 0.92729690 0.85862355
0.32216135 0.02617430 0.88197884
0.26764967 0.08868442 0.82545468
0.22876550 0.82459194 0.01900343
0.18433061 0.92644597 0.60903005
0.11954568 0.07697659 0.90896819
0.89421177 0.07982995 0.77673266
0.89033292 0.90134775 0.86096077
0.06464889 0.88875836 0.90142823
0.97820758 0.13811828 0.19368353
0.94678762 0.82640009 0.19440705
0.83414523 0.83786900 0.32690966
0.64087157 0.23097411 0.55373106
0.65173545 0.02412302 0.24651919
0.53538992 0.15311976 0.25623605
0.53611245 0.26233702 0.40122397
0.00190843 0.85943731 0.60260042
0.73635411 0.51850296 0.28317955
0.79042803 0.61556847 0.14650750
0.90876831 0.66946112 0.01598396
0.95110670 0.46223690 0.98394598
0.60653656 0.30754340 0.01828391
0.71948310 0.47051929 0.77776163
0.59852481 0.39965815 0.65939292
0.22342122 0.16926590 0.50652231
0.34787402 0.34343433 0.81185686
0.18963258 0.36165874 0.75262885
0.12507041 0.28156019 0.59082919
0.05804077 0.58163782 0.26526546
0.79906078 0.89907350 0.72746078
0.65371205 0.79159562 0.84158441
0.54238740 0.80325886 0.67242541
0.69537658 0.86910095 0.56045337
0.94200314 0.64123710 0.68908501
0.68659722 0.52725311 0.55009579
0.74186451 0.35797437 0.57375670
1.01455563 0.19674237 0.97192734
0.71832776 0.24335225 0.77619499
0.71867416 0.16480813 0.94061101
0.86448492 0.14998144 0.04496200
0.61960166 0.08874305 0.74531820
0.43475627 0.36777328 1.00928505
0.40279579 0.45056072 0.10414095
0.52093230 0.59607281 0.15525988
0.66139922 0.54840560 0.03371634
0.50033916 0.51253072 0.69862529
0.45354701 0.77462224 0.85985073
0.38972980 0.84454835 0.69811194
0.15926280 0.75699590 0.26478186
0.22239267 0.65573810 0.61563544
0.06694694 0.62358133 0.53213098
0.03161710 0.68577541 0.36310836
0.64024257 0.35642423 0.27435782
0.15576259 0.40753744 0.24367584
0.35673403 0.38680730 0.24701950
0.33734944 0.27835390 0.08348789
0.13148394 0.27779489 0.09412188
0.24795137 0.66473685 0.09488043
0.26870870 0.47795468 0.84200656
0.26461855 0.62070632 0.73607770
0.18262960 0.10242085 0.68921995
0.35768971 0.87786033 0.90677253
0.36296585 0.05222449 0.94830577
0.26524991 0.16519987 0.84568030
0.27397428 0.12113134 0.32559199
0.09555356 0.12513957 0.10761978
0.91600301 0.84859584 0.02025756
0.94420787 0.03541064 0.57866583
0.03500143 0.78933289 0.78240530
0.77557383 0.98785431 0.39937985
0.72223634 0.35047399 0.12082552
0.77237252 0.58049418 0.90589818
0.88366077 0.56137362 0.32288753
0.08622439 0.59345326 0.07495548
0.47576553 0.27972790 0.69290749
0.85631585 0.72067495 0.79682367
0.64639731 0.67638722 0.52663171
0.68580219 0.97986651 0.91094940
0.56910816 0.98776351 0.58514077
0.87159138 0.30651887 0.68731496
0.45300026 0.43760370 0.81493534
0.55466028 0.70704134 0.99847275
0.47894860 0.27878036 0.20238169
0.68612715 0.54742776 0.24091950
0.36013890 0.75546459 0.53159390
0.27479246 0.56196476 0.19825834
0.18403409 0.36574991 0.92560870
0.27130646 0.30389331 0.40127797
0.29245447 0.09520772 0.13409842
0.23473262 0.79150109 0.77466976
0.00643456 0.97830590 0.09211028
0.96967957 0.88842971 0.65992578
0.75064170 0.41935405 0.96444240
0.00240189 0.58717463 0.21534161
0.77231374 0.68469207 0.64451821
0.61794988 0.00738248 0.75248808
0.50747596 0.58752324 0.87930458
0.59531579 0.40181607 0.23837835
0.24177542 0.48153252 0.04395789
0.27243880 0.18028335 0.28029578
0.79991978 0.22694484 0.30675761
0.95011670 0.24272881 0.31359583
0.88221435 0.18543638 0.44178832
0.77444890 0.99699320 0.58609078
0.62258250 0.18174510 0.71298819
0.77550887 0.14291623 0.64370996
0.38972443 0.32651595 0.96933544
0.47637425 0.12334389 0.82854269
0.52412469 0.14978533 0.98390675
0.38213663 0.13472904 0.44609921
0.38155948 0.04380531 0.57903148
0.49145689 0.15475336 0.56424362
0.85215302 0.45358779 0.84129095
0.07393198 0.55670973 0.72119739
0.02864055 0.46460999 0.83789790
1.01520523 0.18056443 0.69312023
0.10650392 0.21390704 0.82520861
0.05011098 0.33074673 0.72945246
0.33971330 0.48077102 0.55038513
0.48751250 0.48640734 0.52495846
0.39403699 0.58015038 0.43972375
0.35224304 0.89539197 0.36353147
0.31793269 0.79893031 0.23484756
0.42043563 0.75679433 0.35003655
0.30997255 0.85884416 0.06503112
0.16987580 0.80228285 0.09254033
0.19055736 0.90065077 0.97141871
0.25810732 0.91246298 0.55406802
0.13490985 -0.00341043 0.56114720
0.13179008 0.84118472 0.59852391
No title
1
14.537352 -0.290923 -0.467767
-0.294273 13.724895 -0.048099
-0.474185 -0.044698 13.438886
C H O N F
110 60 25 10 30
Direct configuration= 146
0.07145088 0.03570448 0.95220639
0.92572491 0.01301775 0.75666991
0.94926073 0.93479760 0.82384789
0.02007094 0.94781441 0.92183089
0.06346831 0.05565043 0.05481674
0.97360073 0.91533413 0.01448622
0.94671585 -0.01121710 0.65718696
0.98950906 0.85908871 0.75597665
0.96213745 0.98253319 0.18101219
0.94467448 0.07281118 0.22197602
0.88594161 0.08040886 0.29888079
0.92834556 0.89649159 0.22301247
0.86667522 0.90289770 0.29633823
0.84161042 0.99343408 0.33024077
0.70874294 0.05479229 0.39553511
0.70401875 0.11317294 0.48254204
0.64626443 0.19333127 0.48277146
0.64935935 0.06938281 0.31298798
0.58644566 0.14303127 0.31758459
0.58755907 0.20707252 0.39977084
0.87908668 0.18244591 0.34041118
0.75220127 0.08612072 0.56931555
0.84434857 0.47351301 0.09584550
0.85356315 0.57546171 0.14254938
0.91912876 0.60348387 0.06051213
0.89475859 0.50504387 0.00874409
0.76791766 0.40707245 0.06988693
0.81305650 0.50479956 0.92830838
0.91167657 0.57526334 0.23963094
0.01275260 0.59743036 0.11306612
0.67482050 0.39325509 0.90712792
0.59103221 0.34561377 0.94847002
0.53987307 0.27927536 0.87067770
0.66784161 0.41958964 0.80383581
0.60176129 0.37949343 0.73764171
0.53318230 0.31115971 0.76757384
0.38097396 0.26234399 0.68292346
0.34506935 0.20735640 0.59991962
0.25190995 0.21261709 0.56978224
0.32240134 0.31021727 0.74182745
0.23170132 0.31950506 0.70659138
0.19622774 0.27395750 0.61869291
0.51382543 0.18783836 0.89377475
0.40054262 0.13649063 0.54819460
0.75023873 0.83602079 0.72109882
0.66406550 0.84749891 0.78510249
0.60541584 0.84774098 0.68524553
0.68699229 0.82310597 0.62538811
0.80074621 0.74369819 0.73065090
0.69491486 0.72064642 0.59092413
0.65802478 0.95070586 0.82729324
0.59107800 0.95451777 0.66727511
0.80747990 0.59290501 0.62936452
0.89772400 0.57897020 0.66357459
0.92605282 0.48364994 0.68714645
0.75356820 0.51405689 0.58751135
0.78451418 0.42053477 0.60136173
0.86239474 0.40217172 0.66351543
0.86665794 0.26859854 0.78407308
0.94915677 0.24429938 0.83387668
0.94931411 0.20731131 0.93055932
0.78341029 0.23969705 0.82147550
0.78364216 0.19369375 0.91396192
0.86582597 0.18243854 0.97118299
0.00903375 0.49486892 0.74818168
0.03031167 0.24215008 0.77291598
0.55455263 0.44725045 0.96146350
0.47405133 0.44152521 0.12939023
0.54476280 0.52442277 0.13332776
0.58622702 0.53337890 0.02803170
0.50015086 0.48457014 0.88074622
0.54902865 0.62242855 0.96990735
0.50563525 0.36365451 0.18656308
0.61505527 0.49068623 0.21096609
0.47652236 0.63634455 0.79187700
0.47262825 0.58384906 0.70178048
0.42813492 0.61734064 0.61515309
0.44616995 0.73120707 0.79163968
0.40902517 0.76892028 0.70243305
0.39564511 0.71185750 0.61611648
0.27690829 0.72334904 0.48707779
0.26081286 0.75021537 0.38750382
0.17242639 0.73483466 0.34182481
0.20928882 0.67355857 0.53761759
0.12168397 0.65795732 0.49118684
0.10234157 0.69157599 0.39486286
0.41223813 0.54330290 0.53137992
0.33770026 0.79960661 0.33465571
0.20919075 0.39691751 0.19145492
0.29419395 0.34106010 0.22970935
0.28481958 0.27426278 0.13717256
0.19313090 0.32603158 0.10250850
0.24346462 0.49170607 0.14904518
0.20399584 0.38860190 0.01235795
0.27792025 0.27563933 0.31596216
0.28174052 0.17151922 0.17779229
0.25429137 0.56067300 0.97813637
0.25021171 0.65467724 0.01540653
0.24196756 0.73646778 0.95515709
0.26116454 0.54883949 0.87554004
0.25757473 0.63026761 0.81538192
0.24531582 0.72473911 0.85092384
0.25749820 0.88958070 0.78364438
0.21553463 0.95417815 0.71442708
0.21900489 0.05312150 0.73933832
0.31936754 0.92730944 0.85869224
0.32221553 0.02618647 0.88207382
0.26770646 0.08871083 0.82553532
0.22886928 0.82464497 0.01906250
0.18431878 0.92642476 0.60911907
0.11941218 0.07693201 0.90890279
0.89417778 0.07974909 0.77674440
0.89028988 0.90119798 0.86092585
0.06463203 0.88865880 0.90139914
0.97821010 0.13804998 0.19371155
0.94672224 0.82631914 0.19443787
0.83409699 0.83783764 0.32696227
0.64082216 0.23115013 0.55357373
0.65174280 0.02405198 0.24649038
0.53540267 0.15309135 0.25608051
0.53609632 0.26241031 0.40100934
0.00183102 0.85934839 0.60250749
0.73630080 0.51861842 0.28330834
0.79040084 0.61554977 0.14662522
0.90874707 0.66952246 0.01614666
0.95106794 0.46229622 0.98391699
0.60651712 0.30758990 0.01834258
0.71944950 0.47050535 0.77775256
0.59849869 0.39958470 0.65938538
0.22343426 0.16916344 0.50652582
0.34787372 0.34353771 0.81178471
0.18965817 0.36185247 0.75244811
0.12511734 0.28161725 0.59068584
0.05799305 0.58154353 0.26540199
0.79904924 0.89901616 0.72735780
0.65371589 0.79154845 0.84148241
0.54239263 0.80316310 0.67230686
0.69536058 0.86909491 0.56032914
0.94201704 0.64123893 0.68888490
0.68657617 0.52712685 0.55007100
0.74191046 0.35786305 0.57376286
1.01468734 0.19683335 0.97195749
0.71846332 0.24340995 0.77616476
0.71880476 0.16491477 0.94060651
0.86460875 0.15012343 0.04499304
0.61955344 0.08869372 0.74526937
0.43470732 0.36787984 1.00946276
0.40275665 0.45070043 0.10427247
0.52091753 0.59617360 0.15527628
0.66142496 0.54843136 0.03379712
0.50056220 0.51260551 0.69863068
0.45351311 0.77467568 0.85983528
0.38968075 0.84454221 0.69805761
0.15921225 0.75715826 0.26479110
0.22246462 0.65553558 0.61553701
0.06697787 0.62352744 0.53207924
0.03159034 0.68593276 0.36312200
0.64015988 0.35654846 0.27453429
0.15571177 0.40755803 0.24373527
0.35666230 0.38675308 0.24711917
0.33728540 0.27834594 0.08350844
0.13141684 0.27780216 0.09416011
0.24796029 0.66474210 0.09495601
0.26869817 0.47792929 0.84205182
0.26465136 0.62069799 0.73611553
0.18269269 0.10244746 0.68929018
0.35776151 0.87786853 0.90683609
0.36300350 0.05223447 0.94841437
0.26531331 0.16522831 0.84577431
0.27379070 0.12107448 0.32558999
0.09549720 0.12507419 0.10759347
0.91602976 0.84845608 0.02027191
0.94404921 0.03532356 0.57861983
0.03495824 0.78921619 0.78230736
0.77553886 0.98787182 0.39942934
0.72217784 0.35053693 0.12086080
0.77225948 0.58059564 0.90606431
0.88359968 0.56126542 0.32299927
0.08621206 0.59355584 0.07509089
0.47576028 0.27965221 0.69293705
0.85624482 0.72057656 0.79672519
0.64647669 0.67636793 0.52637062
0.68585760 0.97985404 0.91082577
0.56899988 0.98770552 0.58504302
0.87174073 0.30649413 0.68726050
0.45301256 0.43767944 0.81494633
0.55478161 0.70710723 0.99847020
0.47887888 0.27891277 0.20254937
0.68608358 0.54753601 0.24101970
0.36016250 0.75540715 0.53153831
0.27480335 0.56195483 0.19834349
0.18398116 0.36577249 0.92561816
0.27109767 0.30384693 0.40129831
0.29241741 0.09518200 0.13409965
0.23479150 0.79150660 0.77473006
0.00639734 0.97821570 0.09209872
0.96961576 0.88832859 0.65985155
0.75061924 0.41937059 0.96444835
0.00235980 0.58707391 0.21546735
0.77231661 0.68464399 0.64436021
0.61788571 0.00732754 0.75239749
0.50754681 0.58759476 0.87931664
0.59526306 0.40193380 0.23849106
0.24173529 0.48153621 0.04401446
0.27230173 0.18023901 0.28030398
0.79991749 0.22693285 0.30681034
0.95011174 0.24270667 0.31360246
0.88224284 0.18543738 0.44183542
0.77426249 0.99711567 0.58619208
0.62261212 0.18173660 0.71305227
0.77549812 0.14311088 0.64362553
0.38972020 0.32664078 0.96940868
0.47640532 0.12331343 0.82861170
0.52413783 0.14980530 0.98398958
0.38199862 0.13451428 0.44611208
0.38173344 0.04374410 0.57918204
0.49146504 0.15482116 0.56406854
0.85208389 0.45382898 0.84123449
0.07393271 0.55679432 0.72125500
0.02862965 0.46447976 0.83781872
1.01540527 0.18036671 0.69321565
0.10667173 0.21402372 0.82525897
0.05016303 0.33065630 0.72927867
0.33979022 0.48081958 0.55026855
0.48761811 0.48632463 0.52499532
0.39428903 0.58015862 0.43966650
0.35222728 0.89543095 0.36352036
0.31788858 0.79899897 0.23479835
0.42041447 0.75682323 0.34994919
0.31010837 0.85896807 0.06496756
0.17008378 0.80236236 0.09269953
0.19055751 0.90064956 0.97146412
0.25805604 0.91251775 0.55405894
0.13478841 -0.00347675 0.56128289
0.13185414 0.84111429 0.59868013
No title
1
14.537528 -0.290437 -0.467632
-0.293854 13.724066 -0.048697
-0.474121 -0.045298 13.437594
C H O N F
110 60 25 10 30
Direct configuration= 147
0.07135670 0.03563005 0.95218602
0.92565562 0.01290972 0.75662781
0.94920478 0.93465784 0.82383462
0.02002702 0.94769626 0.92180309
0.06340759 0.05558038 0.05478286
0.97359171 0.91522690 0.01447925
0.94660828 -0.01132823 0.65716589
0.98947355 0.85896530 0.75590673
0.96210065 0.98245582 0.18102964
0.94466036 0.07274405 0.22200251
0.88593371 0.08037626 0.29891673
0.92830271 0.89643575 0.22303785
0.86663399 0.90285615 0.29638509
0.84158662 0.99341436 0.33028675
0.70869086 0.05481156 0.39550398
0.70398538 0.11323793 0.48253723
0.64621705 0.19344456 0.48264213
0.64935548 0.06935977 0.31295088
0.58643931 0.14303121 0.31745004
0.58754618 0.20712863 0.39961510
0.87908916 0.18243072 0.34044480
0.75208257 0.08626448 0.56924059
0.84433974 0.47352566 0.09587682
0.85353802 0.57543731 0.14264791
0.91910284 0.60350713 0.06062872
0.89472965 0.50509100 0.00877379
0.76786374 0.40707467 0.06991464
0.81299628 0.50490540 0.92834866
0.91163143 0.57517869 0.23974549
0.01272869 0.59743832 0.11319002
0.67478031 0.39327527 0.90714985
0.59100887 0.34564324 0.94851279
0.53984746 0.27929065 0.87072792
0.66781824 0.41958699 0.80383916
0.60173314 0.37944691 0.73764960
0.53317042 0.31112017 0.76760102
0.38096661 0.26231479 0.68292764
0.34507159 0.20727970 0.59992315
0.25192314 0.21255892 0.56976827
0.32240203 0.31026800 0.74176184
0.23172422 0.31960657 0.70648428
0.19625570 0.27397887 0.61859578
0.51382289 0.18783132 0.89384491
0.40055177 0.13641355 0.54819662
0.75022168 0.83596676 0.72097407
0.66405687 0.84744533 0.78498758
0.60540221 0.84767437 0.68512486
0.68698646 0.82306911 0.62524607
0.80072528 0.74362511 0.73053621
0.69494682 0.72061615 0.59073120
0.65802218 0.95066683 0.82718742
0.59100988 0.95445476 0.66717495
0.80748816 0.59284616 0.62921849
0.89775312 0.57895393 0.66342083
0.92606788 0.48363389 0.68703089
0.75357283 0.51396576 0.58745017
0.78454737 0.42044878 0.60132645
0.86246690 0.40214106 0.66345237
0.86681498 0.26861372 0.78404167
0.94928787 0.24431888 0.83385325
0.94945363 0.20737613 0.93056507
0.78353739 0.23974950 0.82144443
0.78378396 0.19377878 0.91396248
0.86594503 0.18253963 0.97118926
0.00908641 0.49487243 0.74816482
0.03045726 0.24212390 0.77290313
0.55458534 0.44730519 0.96148474
0.47402522 0.44161773 0.12943813
0.54474889 0.52450782 0.13336629
0.58625093 0.53343407 0.02807559
0.50017419 0.48463639 0.88074999
0.54910896 0.62249779 0.96992389
0.50558486 0.36376539 0.18668006
0.61501691 0.49078657 0.21105123
0.47660437 0.63640614 0.79187508
0.47277261 0.58389408 0.70176846
0.42825119 0.61733923 0.61512996
0.44617822 0.73124607 0.79161894
0.40901726 0.76892441 0.70239929
0.39568105 0.71183005 0.61608107
0.27692824 0.72330253 0.48702739
0.26080341 0.75024287 0.38746400
0.17240241 0.73493231 0.34181745
0.20932546 0.67346666 0.53754360
0.12170255 0.65793584 0.49114348
0.10232435 0.69166491 0.39485231
0.41237792 0.54329370 0.53134226
0.33768003 0.79964749 0.33461230
0.20913602 0.39691871 0.19150809
0.29411625 0.34102839 0.22976294
0.28475572 0.27424268 0.13719940
0.19306852 0.32603236 0.10254556
0.24343835 0.49170513 0.14911087
0.20393963 0.38860930 0.01238489
0.27777593 0.27559814 0.31600177
0.28166580 0.17149242 0.17780133
0.25428318 0.56067474 0.97819596
0.25023150 0.65468079 0.01547405
0.24203073 0.73648467 0.95523085
0.26117174 0.54882483 0.87558641
0.25761023 0.63026270 0.81543188
0.24537342 0.72473880 0.85098324
0.25755384 0.88959133 0.78370924
0.21558650 0.95418725 0.71450346
0.21906575 0.05314633 0.73940859
0.31943290 0.92732146 0.85876715
0.32226411 0.02620325 0.88216180
0.26776998 0.08873211 0.82562410
0.22897115 0.82469521 0.01912008
0.18430785 0.92640537 0.60920870
0.11928333 0.07689012 0.90883006
0.89414398 0.07966393 0.77675922
0.89026375 0.90105652 0.86088426
0.06461124 0.88856335 0.90136993
0.97821268 0.13798294 0.19373972
0.94665694 0.82623349 0.19446768
0.83405062 0.83781016 0.32701286
0.64077325 0.23132425 0.55341341
0.65174987 0.02397618 0.24645418
0.53542095 0.15306224 0.25593037
0.53607759 0.26248584 0.40079318
0.00175528 0.85925617 0.60241251
0.73624591 0.51873525 0.28343573
0.79037258 0.61553064 0.14674299
0.90872597 0.66958466 0.01630971
0.95102202 0.46236136 0.98389084
0.60649790 0.30763798 0.01840100
0.71941183 0.47048723 0.77774540
0.59847326 0.39951086 0.65937877
0.22344607 0.16905819 0.50652666
0.34787542 0.34364468 0.81171815
0.18968567 0.36204471 0.75226397
0.12516488 0.28167454 0.59054332
0.05794589 0.58144874 0.26553998
0.79903920 0.89896012 0.72725446
0.65371992 0.79150155 0.84137881
0.54239737 0.80306660 0.67218716
0.69534499 0.86908858 0.56020377
0.94203025 0.64124092 0.68868400
0.68655292 0.52700088 0.55004437
0.74195535 0.35775021 0.57376838
1.01481404 0.19692470 0.97198434
0.71860557 0.24346759 0.77614011
0.71893131 0.16502063 0.94060348
0.86473356 0.15026474 0.04502712
0.61950459 0.08864483 0.74522037
0.43465747 0.36798635 1.00964067
0.40271681 0.45084056 0.10440484
0.52090265 0.59627388 0.15529232
0.66145047 0.54845711 0.03387771
0.50078537 0.51268117 0.69863648
0.45347946 0.77473025 0.85982104
0.38963196 0.84453483 0.69800296
0.15916140 0.75732176 0.26479978
0.22253696 0.65533199 0.61544021
0.06700933 0.62347365 0.53202673
0.03156478 0.68609029 0.36313684
0.64007809 0.35667246 0.27471130
0.15566038 0.40757857 0.24379457
0.35659080 0.38669933 0.24721966
0.33722128 0.27833819 0.08352945
0.13134933 0.27780977 0.09419766
0.24796928 0.66474831 0.09503423
0.26868728 0.47790714 0.84209925
0.26468419 0.62068941 0.73615297
0.18275745 0.10247227 0.68936273
0.35783247 0.87787822 0.90689805
0.36304256 0.05224507 0.94852442
0.26537667 0.16525839 0.84586841
0.27360653 0.12101824 0.32558761
0.09543628 0.12500069 0.10756335
0.91603934 0.84829511 0.02028803
0.94388997 0.03523736 0.57856755
0.03491393 0.78909843 0.78221054
0.77551314 0.98787966 0.39948128
0.72213403 0.35061749 0.12088307
0.77214864 0.58069503 0.90623378
0.88354053 0.56115764 0.32310394
0.08619691 0.59365912 0.07522955
0.47576108 0.27957672 0.69296891
0.85616896 0.72048021 0.79662179
0.64655684 0.67634953 0.52610846
0.68591073 0.97983760 0.91069221
0.56889415 0.98764544 0.58494978
0.87188725 0.30647446 0.68720354
0.45302954 0.43775689 0.81496175
0.55490451 0.70719454 0.99847473
0.47880855 0.27904899 0.20271703
0.68604204 0.54764426 0.24112211
0.36018766 0.75535051 0.53148297
0.27480963 0.56193637 0.19842363
0.18393365 0.36580077 0.92565066
0.27088624 0.30380023 0.40131913
0.29238061 0.09514739 0.13409592
0.23485046 0.79151352 0.77479118
0.00635813 0.97812699 0.09210050
0.96955146 0.88822688 0.65977605
0.75061267 0.41939554 0.96446103
0.00231506 0.58697336 0.21559192
0.77231889 0.68459726 0.64420137
0.61782103 0.00726993 0.75230516
0.50761755 0.58766652 0.87932758
0.59520880 0.40205627 0.23860211
0.24169425 0.48153779 0.04407187
0.27216441 0.18019273 0.28031121
0.79991722 0.22691950 0.30686359
0.95010636 0.24268294 0.31361013
0.88227145 0.18543855 0.44188236
0.77408699 0.99720201 0.58630479
0.62264325 0.18172709 0.71311623
0.77550032 0.14333360 0.64357843
0.38971607 0.32676675 0.96948260
0.47643809 0.12328479 0.82868322
0.52415036 0.14982809 0.98406926
0.38185934 0.13429646 0.44612734
0.38190844 0.04368210 0.57933422
0.49147352 0.15488743 0.56389331
0.85201461 0.45407263 0.84117836
0.07390979 0.55686102 0.72132011
0.02860911 0.46435612 0.83770422
1.01560490 0.18016621 0.69331094
0.10684084 0.21413900 0.82530739
0.05021463 0.33056293 0.72910613
0.33986841 0.48086842 0.55015097
0.48772442 0.48624269 0.52503239
0.39454269 0.58016730 0.43960973
0.35221158 0.89547035 0.36350933
0.31784493 0.79906877 0.23475102
0.42039317 0.75685285 0.34986185
0.31024115 0.85909226 0.06490514
0.17029150 0.80244367 0.09285918
0.19055750 0.90064957 0.97150976
0.25800483 0.91257313 0.55404962
0.13466646 -0.00354270 0.56141917
0.13191902 0.84104431 0.59883824
No title
1
14.537543 -0.290494 -0.467639
-0.293902 13.724238 -0.048604
-0.474116 -0.045205 13.437888
C H O N F
110 60 25 10 30
Direct configuration= 148
0.07137874 0.03565391 0.95219359
0.92566653 0.01292600 0.75663399
0.94921577 0.93468455 0.82383185
0.02002824 0.94770208 0.92180091
0.06341872 0.05559364 0.05478550
0.97359998 0.91525038 0.01447886
0.94662275 -0.01129808 0.65715878
0.98946549 0.85900531 0.75590805
0.96210658 0.98246546 0.18102627
0.94466552 0.07275979 0.22199532
0.88593210 0.08037851 0.29891352
0.92831160 0.89644243 0.22303037
0.86663825 0.90286158 0.29638024
0.84159055 0.99341928 0.33027959
0.70870287 0.05480684 0.39551607
0.70396757 0.11324320 0.48250492
0.64623055 0.19341883 0.48265899
0.64935252 0.06936391 0.31295116
0.58644401 0.14302763 0.31747196
0.58754575 0.20712381 0.39964164
0.87908992 0.18243373 0.34044088
0.75212815 0.08622960 0.56930545
0.84434037 0.47352356 0.09587016
0.85354002 0.57544258 0.14263325
0.91910757 0.60350417 0.06060913
0.89473766 0.50508395 0.00877222
0.76788642 0.40709120 0.06989448
0.81300451 0.50488397 0.92834343
0.91164061 0.57519222 0.23972267
0.01272645 0.59743671 0.11317367
0.67478989 0.39327535 0.90714534
0.59101208 0.34563689 0.94850757
0.53985100 0.27928790 0.87072039
0.66782396 0.41958740 0.80384477
0.60173447 0.37945328 0.73764096
0.53317292 0.31112563 0.76759746
0.38096777 0.26232129 0.68292989
0.34507024 0.20729039 0.59992085
0.25192055 0.21257034 0.56977358
0.32240230 0.31025919 0.74177002
0.23172132 0.31959226 0.70650352
0.19625214 0.27397319 0.61860808
0.51382286 0.18783259 0.89383230
0.40055116 0.13642477 0.54819690
0.75022760 0.83597155 0.72099553
0.66405905 0.84745433 0.78500481
0.60540403 0.84768480 0.68514357
0.68698840 0.82307266 0.62526797
0.80068204 0.74366088 0.73050429
0.69495141 0.72062992 0.59077458
0.65801955 0.95066997 0.82719540
0.59102092 0.95446448 0.66719023
0.80748999 0.59286424 0.62924421
0.89774241 0.57894718 0.66344218
0.92608588 0.48364583 0.68706099
0.75357083 0.51397255 0.58745795
0.78454595 0.42046683 0.60133501
0.86244683 0.40214161 0.66345583
0.86679662 0.26861144 0.78404676
0.94926319 0.24431832 0.83385137
0.94943785 0.20736468 0.93056867
0.78351267 0.23974133 0.82144823
0.78376700 0.19376531 0.91396606
0.86592011 0.18252440 0.97118624
0.00905650 0.49487190 0.74814280
0.03043292 0.24212530 0.77290511
0.55458005 0.44729747 0.96148075
0.47403045 0.44160206 0.12943151
0.54475106 0.52449442 0.13335987
0.58624765 0.53342651 0.02806934
0.50017503 0.48463173 0.88075550
0.54909488 0.62246278 0.96991395
0.50559265 0.36375446 0.18665991
0.61502490 0.49077585 0.21103763
0.47659162 0.63639672 0.79187539
0.47274960 0.58388822 0.70176974
0.42823371 0.61733905 0.61513459
0.44617710 0.73123931 0.79162161
0.40901890 0.76892349 0.70240543
0.39567522 0.71183430 0.61608552
0.27692538 0.72330888 0.48703818
0.26080456 0.75023938 0.38746813
0.17240592 0.73491691 0.34182003
0.20931910 0.67348137 0.53755249
0.12170066 0.65793863 0.49115265
0.10232692 0.69165195 0.39485218
0.41235594 0.54329575 0.53134796
0.33768358 0.79964103 0.33462038
0.20914477 0.39691854 0.19149959
0.29412828 0.34103275 0.22975674
0.28476539 0.27424485 0.13719623
0.19307796 0.32603192 0.10253938
0.24344463 0.49171107 0.14910572
0.20394687 0.38860644 0.01237522
0.27780141 0.27558973 0.31594771
0.28167434 0.17152030 0.17781453
0.25428446 0.56067661 0.97818965
0.25022866 0.65467884 0.01546213
0.24202071 0.73648229 0.95522035
0.26117092 0.54882488 0.87557829
0.25760475 0.63026503 0.81542382
0.24536455 0.72473878 0.85097270
0.25754403 0.88959071 0.78369716
0.21557906 0.95418504 0.71449279
0.21905535 0.05314271 0.73939616
0.31942431 0.92731796 0.85875731
0.32225485 0.02620277 0.88214599
0.26776217 0.08872760 0.82561285
0.22895410 0.82468776 0.01911093
0.18430931 0.92640939 0.60919431
0.11930065 0.07689386 0.90884302
0.89415136 0.07967157 0.77675499
0.89026532 0.90107661 0.86089261
0.06461359 0.88858015 0.90137570
0.97821111 0.13799083 0.19373627
0.94666647 0.82624821 0.19446357
0.83405828 0.83781505 0.32700446
0.64077991 0.23129949 0.55344127
0.65174912 0.02398882 0.24646160
0.53541681 0.15306687 0.25595178
0.53608224 0.26247190 0.40082626
0.00176866 0.85926978 0.60242410
0.73625527 0.51871677 0.28341682
0.79037806 0.61553252 0.14672457
0.90872932 0.66957384 0.01628565
0.95102835 0.46235172 0.98389493
0.60650047 0.30763112 0.01839100
0.71941845 0.47049065 0.77774584
0.59847749 0.39952143 0.65938232
0.22344388 0.16907363 0.50652588
0.34787547 0.34362855 0.81172891
0.18968193 0.36201458 0.75229194
0.12515755 0.28166552 0.59056573
0.05795205 0.58146344 0.26551809
0.79904064 0.89896882 0.72726985
0.65371911 0.79150835 0.84139465
0.54239685 0.80308154 0.67220526
0.69534805 0.86908996 0.56022277
0.94203108 0.64124359 0.68871636
0.68655676 0.52702069 0.55004844
0.74194728 0.35776584 0.57376684
1.01479188 0.19691054 0.97197851
0.71858470 0.24345851 0.77614506
0.71891044 0.16500392 0.94060462
0.86471463 0.15024253 0.04502273
0.61951225 0.08865180 0.74522747
0.43466523 0.36797018 1.00961344
0.40272220 0.45081899 0.10438457
0.52090496 0.59625824 0.15528987
0.66144628 0.54845318 0.03386502
0.50075086 0.51266915 0.69863540
0.45348476 0.77472200 0.85982316
0.38963954 0.84453622 0.69801126
0.15916931 0.75729681 0.26479848
0.22252595 0.65536328 0.61545599
0.06700445 0.62348197 0.53203461
0.03156900 0.68606586 0.36313485
0.64009024 0.35665436 0.27468366
0.15566783 0.40757536 0.24378534
0.35660136 0.38670759 0.24720398
0.33723145 0.27833980 0.08352629
0.13135996 0.27780885 0.09419154
0.24796794 0.66474767 0.09502304
0.26868896 0.47791179 0.84209268
0.26467913 0.62069093 0.73614769
0.18274766 0.10246804 0.68935199
0.35782108 0.87787757 0.90688762
0.36303707 0.05224364 0.94850780
0.26536687 0.16525401 0.84585384
0.27363493 0.12102737 0.32558693
0.09544376 0.12500864 0.10756512
0.91603270 0.84831384 0.02028568
0.94391636 0.03524117 0.57859006
0.03493217 0.78909815 0.78223191
0.77551708 0.98787897 0.39947111
0.72212777 0.35058823 0.12089424
0.77216462 0.58068430 0.90620634
0.88354770 0.56117334 0.32309212
0.08620381 0.59364290 0.07520614
0.47576111 0.27958802 0.69296403
0.85622063 0.72047705 0.79668500
0.64653781 0.67634575 0.52613898
0.68590467 0.97984201 0.91071897
0.56891065 0.98765468 0.58496378
0.87186474 0.30647744 0.68721503
0.45302339 0.43774148 0.81495430
0.55488693 0.70720258 0.99848134
0.47881836 0.27902303 0.20269191
0.68604627 0.54762700 0.24110484
0.36018382 0.75535940 0.53149136
0.27480595 0.56193426 0.19840782
0.18394240 0.36579841 0.92565112
0.27091517 0.30382015 0.40135677
0.29238872 0.09513290 0.13408460
0.23484126 0.79151149 0.77478269
0.00636212 0.97814085 0.09210499
0.96956129 0.88824114 0.65979553
0.75061115 0.41939038 0.96445880
0.00232402 0.58698931 0.21557284
0.77232019 0.68459690 0.64422246
0.61783116 0.00727837 0.75232095
0.50760605 0.58765598 0.87932447
0.59521810 0.40203290 0.23858648
0.24170049 0.48153776 0.04406137
0.27218581 0.18019925 0.28031292
0.79991712 0.22692145 0.30685486
0.95010722 0.24268642 0.31360891
0.88226674 0.18543821 0.44187326
0.77410963 0.99720538 0.58628139
0.62263807 0.18172900 0.71310658
0.77549256 0.14328656 0.64356409
0.38971659 0.32674746 0.96947089
0.47643359 0.12328966 0.82867298
0.52414845 0.14982465 0.98405821
0.38188070 0.13432951 0.44612559
0.38188149 0.04369183 0.57931154
0.49147150 0.15487651 0.56392054
0.85202601 0.45403565 0.84118725
0.07391650 0.55685264 0.72131079
0.02861659 0.46437045 0.83773699
1.01557353 0.18019787 0.69329686
0.10681516 0.21412083 0.82529888
0.05020693 0.33057828 0.72913265
0.33985640 0.48086078 0.55016891
0.48770863 0.48625545 0.52502675
0.39450362 0.58016635 0.43961851
0.35221417 0.89546456 0.36351140
0.31785205 0.79905829 0.23475823
0.42039655 0.75684846 0.34987569
0.31021989 0.85907301 0.06491606
0.17025859 0.80243175 0.09283434
0.19055770 0.90064946 0.97150288
0.25801261 0.91256498 0.55405112
0.13468596 -0.00353296 0.56139880
0.13190918 0.84105514 0.59881434
No title
1
14.537668 -0.290040 -0.467546
-0.293511 13.723416 -0.049184
-0.474088 -0.045787 13.436640
C H O N F
110 60 25 10 30
Direct configuration= 149
0.07130118 0.03559024 0.95215992
0.92560333 0.01282720 0.75661129
0.94917465 0.93457472 0.82380102
0.01998348 0.94759842 0.92177369
0.06335642 0.05551753 0.05475539
0.97357528 0.91513285 0.01447830
0.94652526 -0.01138482 0.65712440
0.98942847 0.85889655 0.75584713
0.96207659 0.98239807 0.18103723
0.94465320 0.07270646 0.22201977
0.88592479 0.08034914 0.29894507
0.92826844 0.89638141 0.22305762
0.86660568 0.90282999 0.29641749
0.84156910 0.99339856 0.33032070
0.70866891 0.05481976 0.39550703
0.70391251 0.11331515 0.48246159
0.64619683 0.19351323 0.48254546
0.64934052 0.06934078 0.31289939
0.58644339 0.14302799 0.31735965
0.58752847 0.20717539 0.39949618
0.87909343 0.18241877 0.34047268
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No title
1
14.537858 -0.289695 -0.467421
-0.293216 13.722818 -0.049622
-0.474014 -0.046226 13.435842
C H O N F
110 60 25 10 30
Direct configuration= 150
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0.35219021 0.89552964 0.36349710
0.31778481 0.79917138 0.23468189
0.42036336 0.75689620 0.34973937
0.31043285 0.85927224 0.06482357
0.17058535 0.80256441 0.09308685
0.19055902 0.90064799 0.97157615
0.25792940 0.91265610 0.55403699
0.13449358 -0.00363921 0.56161885
0.13201352 0.84094453 0.59906741
No title
1
14.537883 -0.289552 -0.467420
-0.293089 13.722640 -0.049762
-0.474029 -0.046368 13.435473
C H O N F
110 60 25 10 30
Direct configuration= 151
0.07120706 0.03549917 0.95210509
0.92553644 0.01271593 0.75660178
0.94913153 0.93445557 0.82376489
0.01993796 0.94750255 0.92174729
0.06329144 0.05544659 0.05474671
0.97356480 0.91502454 0.01447213
0.94642505 -0.01149415 0.65708600
0.98938707 0.85878107 0.75578307
0.96204399 0.98232545 0.18105003
0.94463861 0.07264559 0.22204714
0.88591628 0.08031824 0.29897960
0.92822307 0.89631918 0.22308473
0.86656767 0.90279247 0.29645979
0.84154605 0.99337830 0.33036533
0.70862783 0.05483341 0.39548711
0.70386914 0.11338175 0.48243798
0.64615492 0.19362025 0.48242078
0.64933322 0.06931544 0.31285275
0.58643990 0.14302822 0.31723450
0.58751146 0.20722976 0.39934060
0.87909657 0.18240100 0.34050597
0.75196317 0.08647469 0.56926893
0.84430159 0.47352976 0.09591511
0.85349024 0.57540571 0.14281661
0.91906641 0.60355339 0.06082256
0.89468384 0.50518334 0.00883455
0.76782025 0.40712661 0.06993166
0.81289233 0.50507329 0.92842646
0.91155866 0.57503399 0.23993719
0.01267989 0.59745224 0.11340840
0.67472696 0.39332523 0.90718596
0.59096782 0.34568674 0.94858603
0.53979874 0.27930478 0.87081652
0.66776416 0.41956680 0.80384973
0.60169579 0.37937645 0.73766015
0.53315319 0.31104885 0.76765175
0.38096098 0.26225738 0.68292435
0.34507827 0.20715396 0.59993726
0.25194502 0.21245317 0.56973938
0.32240431 0.31036530 0.74166657
0.23176148 0.31977246 0.70628983
0.19630356 0.27402251 0.61844337
0.51382320 0.18783586 0.89396135
0.40056862 0.13627395 0.54820393
0.75020075 0.83587555 0.72076406
0.66404332 0.84735402 0.78478791
0.60537880 0.84755874 0.68491740
0.68697937 0.82300474 0.62500160
0.80065951 0.74351715 0.73030693
0.69499511 0.72056022 0.59039100
0.65801379 0.95059432 0.82699380
0.59089392 0.95434865 0.66699354
0.80751506 0.59275242 0.62897639
0.89778531 0.57891442 0.66315547
0.92616243 0.48362425 0.68687547
0.75357642 0.51380339 0.58734126
0.78460459 0.42030536 0.60126540
0.86257437 0.40207961 0.66333618
0.86705733 0.26864281 0.78398248
0.94952246 0.24434885 0.83381762
0.94968012 0.20748382 0.93057514
0.78377314 0.23984026 0.82140097
0.78400955 0.19392639 0.91395746
0.86616134 0.18271132 0.97120912
0.00907365 0.49486640 0.74805068
0.03070359 0.24206705 0.77288089
0.55463781 0.44740624 0.96151237
0.47398198 0.44177192 0.12951911
0.54472628 0.52465243 0.13343126
0.58629212 0.53352939 0.02815182
0.50022872 0.48475517 0.88077521
0.54924501 0.62260226 0.96994931
0.50549874 0.36396782 0.18687529
0.61495666 0.49097303 0.21119378
0.47674250 0.63651153 0.79186392
0.47301759 0.58397468 0.70175138
0.42844816 0.61733452 0.61509021
0.44619368 0.73131346 0.79158754
0.40900446 0.76892763 0.70233802
0.39574308 0.71178679 0.61602187
0.27696422 0.72322564 0.48693889
0.26079156 0.75029084 0.38740247
0.17235881 0.73510143 0.34180207
0.20938867 0.67330885 0.53742157
0.12173166 0.65790062 0.49106457
0.10229685 0.69181495 0.39484146
0.41262264 0.54328112 0.53127796
0.33764542 0.79972058 0.33453989
0.20904110 0.39692135 0.19159887
0.29398438 0.34097666 0.22985671
0.28464619 0.27420961 0.13724564
0.19296087 0.32603287 0.10260641
0.24339466 0.49170948 0.14922873
0.20384608 0.38862530 0.01243900
0.27752903 0.27551549 0.31603101
0.28153794 0.17144409 0.17781656
0.25427038 0.56067414 0.97829462
0.25026565 0.65469425 0.01559538
0.24213689 0.73651130 0.95535375
0.26118372 0.54880542 0.87567229
0.25767216 0.63025026 0.81551473
0.24547009 0.72474643 0.85108784
0.25765401 0.88961038 0.78382728
0.21567313 0.95420938 0.71463171
0.21917346 0.05318399 0.73953433
0.31954023 0.92734006 0.85888872
0.32235235 0.02622955 0.88231603
0.26787368 0.08877293 0.82576924
0.22914218 0.82478637 0.01922164
0.18428717 0.92637267 0.60936253
0.11905688 0.07681373 0.90871112
0.89409414 0.07949867 0.77677266
0.89019408 0.90079906 0.86082265
0.06458264 0.88839537 0.90132145
0.97821495 0.13786288 0.19378847
0.94654326 0.82609440 0.19451808
0.83397000 0.83775957 0.32709928
0.64068662 0.23162477 0.55314234
0.65176354 0.02385286 0.24640424
0.53544790 0.15301241 0.25566533
0.53605184 0.26260537 0.40042256
0.00162801 0.85910343 0.60225063
0.73615587 0.51893367 0.28365633
0.79032564 0.61549408 0.14694400
0.90868985 0.66968679 0.01659171
0.95095280 0.46246623 0.98383961
0.60646455 0.30772096 0.01850008
0.71935477 0.47046131 0.77772897
0.59843050 0.39938231 0.65936953
0.22346732 0.16887954 0.50653389
0.34787740 0.34382551 0.81159725
0.18973205 0.36237474 0.75195196
0.12524642 0.28177028 0.59030131
0.05786083 0.58128717 0.26577391
0.79902294 0.89886210 0.72707576
0.65372636 0.79141951 0.84119967
0.54240753 0.80290191 0.67197958
0.69532210 0.86907817 0.55998826
0.94205813 0.64124844 0.68834282
0.68651706 0.52678587 0.54999891
0.74203167 0.35755678 0.57377830
1.01503175 0.19707797 0.97203024
0.71884085 0.24356587 0.77609695
0.71914927 0.16520260 0.94060187
0.86494588 0.15050559 0.04508529
0.61942120 0.08855875 0.74513400
0.43457225 0.36817015 1.00994628
0.40264793 0.45108014 0.10463374
0.52087677 0.59644506 0.15531885
0.66149314 0.54850304 0.03401374
0.50116498 0.51280969 0.69864470
0.45342282 0.77482213 0.85979367
0.38954888 0.84452375 0.69790931
0.15907553 0.75760277 0.26481839
0.22265998 0.65498452 0.61527261
0.06706236 0.62338098 0.53193746
0.03152083 0.68635905 0.36316287
0.63993711 0.35688834 0.27501250
0.15557002 0.40761252 0.24389479
0.35646467 0.38660618 0.24739153
0.33711274 0.27832600 0.08356655
0.13123533 0.27782437 0.09425973
0.24798503 0.66476085 0.09516684
0.26866952 0.47786964 0.84218165
0.26474005 0.62067691 0.73622037
0.18286657 0.10251577 0.68948595
0.35795499 0.87789547 0.90700407
0.36310908 0.05226335 0.94870912
0.26548546 0.16530842 0.84602899
0.27329156 0.12092196 0.32558126
0.09533840 0.12489441 0.10752039
0.91606561 0.84803177 0.02031372
0.94362435 0.03507118 0.57851149
0.03485717 0.78886874 0.78205545
0.77545861 0.98790248 0.39956539
0.72203091 0.35071327 0.12095134
0.77195884 0.58087370 0.90652021
0.88343346 0.56097082 0.32328905
0.08617618 0.59383288 0.07546487
0.47575699 0.27944232 0.69302362
0.85606368 0.72029982 0.79647550
0.64670255 0.67632243 0.52566686
0.68600328 0.97980938 0.91047119
0.56871899 0.98754233 0.58479153
0.87213492 0.30643480 0.68711585
0.45305073 0.43788379 0.81497547
0.55511452 0.70735594 0.99848829
0.47868804 0.27927073 0.20300245
0.68596546 0.54783058 0.24129029
0.36022903 0.75525376 0.53138846
0.27481461 0.56189984 0.19855778
0.18385261 0.36585093 0.92570072
0.27051962 0.30372993 0.40138737
0.29231555 0.09509250 0.13408938
0.23495081 0.79152293 0.77489836
0.00628816 0.97797611 0.09209512
0.96944249 0.88805384 0.65966617
0.75058066 0.41943118 0.96447593
0.00224497 0.58680359 0.21580410
0.77232437 0.68451170 0.64392690
0.61770948 0.00717095 0.75215115
0.50773840 0.58779045 0.87934352
0.59511988 0.40225053 0.23879612
0.24162419 0.48154370 0.04416864
0.27193273 0.18011735 0.28032629
0.79991567 0.22689707 0.30695063
0.95009880 0.24264200 0.31362230
0.88231806 0.18543958 0.44195886
0.77377113 0.99740864 0.58647851
0.62269603 0.18170914 0.71322437
0.77548069 0.14367530 0.64342914
0.38970954 0.32698370 0.96960932
0.47649453 0.12323412 0.82880539
0.52417172 0.14986748 0.98421392
0.38162238 0.13392002 0.44615607
0.38220688 0.04357524 0.57960115
0.49148476 0.15499683 0.56359433
0.85189838 0.45449092 0.84108690
0.07389892 0.55699684 0.72143154
0.02858941 0.46412703 0.83756103
1.01593990 0.17982906 0.69347371
0.10712844 0.21433234 0.82538437
0.05030401 0.33040519 0.72881051
0.34000532 0.48095431 0.54994772
0.48791163 0.48610253 0.52509698
0.39497587 0.58018558 0.43951267
0.35218622 0.89554051 0.36349491
0.31777418 0.79919015 0.23467032
0.42035758 0.75690444 0.34971700
0.31046634 0.85930491 0.06480855
0.17063761 0.80258646 0.09312774
0.19055915 0.90064852 0.97158798
0.25791589 0.91267110 0.55403469
0.13446164 -0.00365654 0.56165525
0.13203084 0.84092625 0.59910942
No title
1
14.538033 -0.289037 -0.467246
-0.292646 13.721686 -0.050420
-0.473929 -0.047027 13.434190
C H O N F
110 60 25 10 30
Direct configuration= 152
0.07112340 0.03544984 0.95209787
0.92546965 0.01260471 0.75656337
0.94908016 0.93431621 0.82374865
0.01988988 0.94736689 0.92170629
0.06323174 0.05536691 0.05467900
0.97353266 0.91489055 0.01446730
0.94631727 -0.01159496 0.65704920
0.98934480 0.85866334 0.75571283
0.96200646 0.98224503 0.18106621
0.94462729 0.07258274 0.22207031
0.88590593 0.08028314 0.29901786
0.92817865 0.89625649 0.22310856
0.86652642 0.90275335 0.29650601
0.84152090 0.99335575 0.33041297
0.70858923 0.05484516 0.39547925
0.70379179 0.11347464 0.48235713
0.64611977 0.19372083 0.48229251
0.64932265 0.06928793 0.31279366
0.58644110 0.14302322 0.31710535
0.58749013 0.20729349 0.39917935
0.87910002 0.18238591 0.34054344
0.75189743 0.08660144 0.56930303
0.84428663 0.47354322 0.09594454
0.85346252 0.57538248 0.14291649
0.91904213 0.60357958 0.06094040
0.89465679 0.50523166 0.00886489
0.76778736 0.40715164 0.06993941
0.81283234 0.50517570 0.92847188
0.91151384 0.57494828 0.24004967
0.01265067 0.59746148 0.11353873
0.67469090 0.39335211 0.90720605
0.59094363 0.34571460 0.94863018
0.53976996 0.27931161 0.87086996
0.66773524 0.41955788 0.80385466
0.60167109 0.37933208 0.73766462
0.53314401 0.31100747 0.76768234
0.38095720 0.26222382 0.68292343
0.34508277 0.20707828 0.59994565
0.25195799 0.21239100 0.56972387
0.32240655 0.31042177 0.74160870
0.23178285 0.31987152 0.70617559
0.19633247 0.27404635 0.61835280
0.51382365 0.18783940 0.89403070
0.40057862 0.13619118 0.54820950
0.75018602 0.83582111 0.72063807
0.66403522 0.84729907 0.78466950
0.60536581 0.84749067 0.68479224
0.68697524 0.82296673 0.62485567
0.80063409 0.74344517 0.73018488
0.69502625 0.72052832 0.59019178
0.65800515 0.95054949 0.82686968
0.59082908 0.95428374 0.66689608
0.80753043 0.59269800 0.62883183
0.89780512 0.57888607 0.66299704
0.92620661 0.48362162 0.68677736
0.75358054 0.51370446 0.58727709
0.78464108 0.42022351 0.60123217
0.86263619 0.40204117 0.66326640
0.86720531 0.26865865 0.78394968
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0.78390660 0.23989356 0.82137576
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0.86628712 0.18281296 0.97121979
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0.25426284 0.56067365 0.97835719
0.25028602 0.65470250 0.01566665
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0.21572455 0.95422113 0.71470912
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1.01515814 0.19716727 0.97205567
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0.61937192 0.08850721 0.74508264
0.43452275 0.36827999 1.01012797
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0.50138890 0.51288582 0.69864959
0.45339000 0.77487666 0.85977828
0.38950000 0.84451707 0.69785378
0.15902505 0.75776981 0.26482985
0.22273286 0.65477882 0.61517405
0.06709389 0.62332615 0.53188486
0.03149539 0.68651771 0.36317877
0.63985463 0.35701578 0.27519040
0.15551612 0.40763210 0.24395373
0.35639065 0.38655168 0.24749403
0.33704931 0.27831893 0.08358839
0.13116799 0.27783334 0.09429611
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0.26477300 0.62066978 0.73626056
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0.35802755 0.87790584 0.90706668
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0.94346918 0.03497644 0.57847510
0.03481386 0.78874770 0.78196222
0.77542931 0.98791562 0.39961209
0.72197156 0.35077023 0.12099048
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0.88337029 0.56086015 0.32339702
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0.68606062 0.97979426 0.91034822
0.56861504 0.98748495 0.58468872
0.87227805 0.30641432 0.68706408
0.45306776 0.43796171 0.81498748
0.55523607 0.70741656 0.99848607
0.47861862 0.27940312 0.20316927
0.68591880 0.54793764 0.24138934
0.36025345 0.75519752 0.53133348
0.27482394 0.56189512 0.19864791
0.18379792 0.36587259 0.92569645
0.27030505 0.30368061 0.40140413
0.29227442 0.09507619 0.13409456
0.23500896 0.79152920 0.77495968
0.00624433 0.97788445 0.09209709
0.96937948 0.88795263 0.65959723
0.75056657 0.41945416 0.96448688
0.00220139 0.58670186 0.21593358
0.77232778 0.68446089 0.64376440
0.61764280 0.00711022 0.75205794
0.50781129 0.58786351 0.87935534
0.59506789 0.40236661 0.23890973
0.24158442 0.48155085 0.04422476
0.27179642 0.18007266 0.28033397
0.79991626 0.22688314 0.30700086
0.95009493 0.24261689 0.31362985
0.88234536 0.18543974 0.44200214
0.77358535 0.99753252 0.58658287
0.62272668 0.18169804 0.71328784
0.77546805 0.14387090 0.64333267
0.38970549 0.32711067 0.96968389
0.47652791 0.12320460 0.82887728
0.52418410 0.14989167 0.98429867
0.38148340 0.13369803 0.44617571
0.38238051 0.04351397 0.57975851
0.49149024 0.15505948 0.56341976
0.85183064 0.45473529 0.84103270
0.07388234 0.55707189 0.72149969
0.02857548 0.46399199 0.83747517
1.01613343 0.17963182 0.69356782
0.10729563 0.21444355 0.82542826
0.05035681 0.33030991 0.72863902
0.34008532 0.48100274 0.54982844
0.48801860 0.48602372 0.52513567
0.39523023 0.58019587 0.43945758
0.35217124 0.89558094 0.36348703
0.31773431 0.79926151 0.23462579
0.42033647 0.75693504 0.34963361
0.31059275 0.85942836 0.06475184
0.17083440 0.80266953 0.09328238
0.19056002 0.90065045 0.97163302
0.25786475 0.91272826 0.55402616
0.13433989 -0.00372161 0.56179348
0.13209565 0.84085758 0.59926788
No title
1
14.538131 -0.288896 -0.467204
-0.292528 13.721428 -0.050648
-0.473912 -0.047255 13.433753
C H O N F
110 60 25 10 30
Direct configuration= 153
0.07108743 0.03540998 0.95205800
0.92544223 0.01256319 0.75657179
0.94907155 0.93427711 0.82372822
0.01987376 0.94734088 0.92170387
0.06320852 0.05535173 0.05469785
0.97353033 0.91485112 0.01446890
0.94628129 -0.01163814 0.65702661
0.98933147 0.85861378 0.75569431
0.96199751 0.98222340 0.18106512
0.94461846 0.07256103 0.22208516
0.88590588 0.08027249 0.29902750
0.92815565 0.89622529 0.22312578
0.86651732 0.90274355 0.29651609
0.84151275 0.99334483 0.33042864
0.70857708 0.05484814 0.39547336
0.70378248 0.11349599 0.48235719
0.64610180 0.19376490 0.48224737
0.64931781 0.06927661 0.31276927
0.58643981 0.14302641 0.31706182
0.58748317 0.20731113 0.39911519
0.87910195 0.18237742 0.34055444
0.75185550 0.08664794 0.56927514
0.84427696 0.47353850 0.09595319
0.85345103 0.57537585 0.14295265
0.91903431 0.60358930 0.06098078
0.89464351 0.50525308 0.00887863
0.76778026 0.40716521 0.06994636
0.81281232 0.50521234 0.92848864
0.91149937 0.57491801 0.24008742
0.01264490 0.59746417 0.11358432
0.67468238 0.39336436 0.90721491
0.59093432 0.34572376 0.94864542
0.53975946 0.27931366 0.87088951
0.66771544 0.41954782 0.80385148
0.60166990 0.37932037 0.73767479
0.53314065 0.31099176 0.76769338
0.38095832 0.26220687 0.68291636
0.34508549 0.20705470 0.59995336
0.25196392 0.21236346 0.56971301
0.32240630 0.31044719 0.74159534
0.23179045 0.31990336 0.70612790
0.19634143 0.27406056 0.61832700
0.51382415 0.18784252 0.89405478
0.40058161 0.13616124 0.54821082
0.75018186 0.83580180 0.72059273
0.66403190 0.84727962 0.78462611
0.60536100 0.84746621 0.68474725
0.68697425 0.82295179 0.62480285
0.80061982 0.74342207 0.73013535
0.69504279 0.72052238 0.59012717
0.65800599 0.95053500 0.82683575
0.59080442 0.95425937 0.66685699
0.80753241 0.59267400 0.62877644
0.89781492 0.57888322 0.66294106
0.92622915 0.48361574 0.68674756
0.75358249 0.51367707 0.58725469
0.78464844 0.42018571 0.60121562
0.86266413 0.40203012 0.66324540
0.86724187 0.26866492 0.78393596
0.94971894 0.24436908 0.83379641
0.94985542 0.20757083 0.93058012
0.78396914 0.23991361 0.82137093
0.78418261 0.19404587 0.91394937
0.86634611 0.18284895 0.97122958
0.00908278 0.49486140 0.74797011
0.03089846 0.24202315 0.77286198
0.55468221 0.44748641 0.96153581
0.47394663 0.44189793 0.12958393
0.54470692 0.52476922 0.13348368
0.58632472 0.53360559 0.02821076
0.50027053 0.48484816 0.88079085
0.54935540 0.62271498 0.96997769
0.50543039 0.36412465 0.18703239
0.61490654 0.49111755 0.21130883
0.47685394 0.63659661 0.79185482
0.47321601 0.58403938 0.70173962
0.42860638 0.61733159 0.61505667
0.44620655 0.73136808 0.79156278
0.40899435 0.76893068 0.70228657
0.39579318 0.71175273 0.61597542
0.27699334 0.72316565 0.48686385
0.26078322 0.75033005 0.38735656
0.17232363 0.73524025 0.34178803
0.20944077 0.67318123 0.53732717
0.12175379 0.65787314 0.49099771
0.10227571 0.69193487 0.39483593
0.41282021 0.54327146 0.53122623
0.33761859 0.79978026 0.33448374
0.20896356 0.39692387 0.19167153
0.29387648 0.34093517 0.22993160
0.28455752 0.27418324 0.13728208
0.19287453 0.32603481 0.10265512
0.24335301 0.49170039 0.14931563
0.20377442 0.38864154 0.01249648
0.27732932 0.27545493 0.31607452
0.28143600 0.17140299 0.17782626
0.25426082 0.56067060 0.97837282
0.25029331 0.65470920 0.01569668
0.24222300 0.73653317 0.95545355
0.26119378 0.54879406 0.87574444
0.25772219 0.63023855 0.81558178
0.24554745 0.72475577 0.85117567
0.25773717 0.88962527 0.78392613
0.21574152 0.95422910 0.71473413
0.21926197 0.05321388 0.73963856
0.31962560 0.92735742 0.85898429
0.32242705 0.02624834 0.88244328
0.26795484 0.08880796 0.82588316
0.22927805 0.82485982 0.01930356
0.18427207 0.92634719 0.60948701
0.11886787 0.07674418 0.90862224
0.89404770 0.07937699 0.77678791
0.89014201 0.90059440 0.86076838
0.06455548 0.88826226 0.90128383
0.97821765 0.13776756 0.19382622
0.94645148 0.82598165 0.19455704
0.83390422 0.83771695 0.32716921
0.64061668 0.23186725 0.55292383
0.65177532 0.02375220 0.24636304
0.53546836 0.15297201 0.25544868
0.53602840 0.26270300 0.40012346
0.00152578 0.85898151 0.60212265
0.73608199 0.51909474 0.28383173
0.79028763 0.61546535 0.14710607
0.90866134 0.66977138 0.01681784
0.95089592 0.46255273 0.98379965
0.60643812 0.30778809 0.01857971
0.71931101 0.47044105 0.77771489
0.59839674 0.39927845 0.65935943
0.22348503 0.16873581 0.50654263
0.34787958 0.34397155 0.81149884
0.18976914 0.36264081 0.75170221
0.12531159 0.28184631 0.59010739
0.05779412 0.58115699 0.26596413
0.79901111 0.89878295 0.72693146
0.65373176 0.79135243 0.84105368
0.54241710 0.80276869 0.67181028
0.69530551 0.86906981 0.55981438
0.94207888 0.64125131 0.68806818
0.68648937 0.52661294 0.54996147
0.74209473 0.35740334 0.57378762
1.01520846 0.19719848 0.97206797
0.71902694 0.24364528 0.77606283
0.71932599 0.16534983 0.94060223
0.86511634 0.15069900 0.04513274
0.61935390 0.08848840 0.74506403
0.43450408 0.36831906 1.01019307
0.40259312 0.45127310 0.10481968
0.52085583 0.59658249 0.15533930
0.66152752 0.54854115 0.03412269
0.50146961 0.51291303 0.69865113
0.45337810 0.77489583 0.85977155
0.38948235 0.84451530 0.69783385
0.15900708 0.75783019 0.26483503
0.22275884 0.65470498 0.61513663
0.06710508 0.62330609 0.53186624
0.03148569 0.68657492 0.36318418
0.63982570 0.35706083 0.27525511
0.15549624 0.40763918 0.24397502
0.35636310 0.38653168 0.24753088
0.33702618 0.27831670 0.08359673
0.13114342 0.27783601 0.09430866
0.24799805 0.66477224 0.09527399
0.26865591 0.47783869 0.84224854
0.26478489 0.62066762 0.73627535
0.18295334 0.10255180 0.68958433
0.35805484 0.87790845 0.90709049
0.36316306 0.05227809 0.94885622
0.26557356 0.16534868 0.84615838
0.27303874 0.12084428 0.32557629
0.09525094 0.12479342 0.10747401
0.91609771 0.84783205 0.02033126
0.94341174 0.03494517 0.57845703
0.03479643 0.78870616 0.78192574
0.77541521 0.98792164 0.39963280
0.72195147 0.35079222 0.12100247
0.77180658 0.58101674 0.90674926
0.88334553 0.56081943 0.32343939
0.08615901 0.59397122 0.07565538
0.47575345 0.27933247 0.69306716
0.85596734 0.72015942 0.79634428
0.64681451 0.67629330 0.52530456
0.68607850 0.97978595 0.91029428
0.56857838 0.98746354 0.58465300
0.87233024 0.30640558 0.68704501
0.45307139 0.43798806 0.81498827
0.55528125 0.70745859 0.99849185
0.47859357 0.27945203 0.20322963
0.68590577 0.54797983 0.24142667
0.36026197 0.75517667 0.53131363
0.27482217 0.56188258 0.19867320
0.18378527 0.36588863 0.92572588
0.27022551 0.30366682 0.40142329
0.29226234 0.09505151 0.13408537
0.23502996 0.79153076 0.77498182
0.00623088 0.97784906 0.09208510
0.96935686 0.88791645 0.65957024
0.75055823 0.41946080 0.96448988
0.00218530 0.58666537 0.21597843
0.77232960 0.68444279 0.64370526
0.61761869 0.00709074 0.75202443
0.50783674 0.58789001 0.87935732
0.59504871 0.40241301 0.23894889
0.24156911 0.48155116 0.04424771
0.27174711 0.18005713 0.28033683
0.79991558 0.22687900 0.30701883
0.95009396 0.24260810 0.31363265
0.88235507 0.18544042 0.44201983
0.77351915 0.99757302 0.58662345
0.62273834 0.18169295 0.71331066
0.77546868 0.14395334 0.64331226
0.38970503 0.32715812 0.96971182
0.47654018 0.12319333 0.82890312
0.52418861 0.14990027 0.98433036
0.38143259 0.13361675 0.44618310
0.38244347 0.04349148 0.57981610
0.49149241 0.15508217 0.56335678
0.85180609 0.45482440 0.84101227
0.07388336 0.55710514 0.72152342
0.02857159 0.46394332 0.83744562
1.01620329 0.17956067 0.69360227
0.10735482 0.21448315 0.82544316
0.05037663 0.33027572 0.72857606
0.34011510 0.48102082 0.54978490
0.48805903 0.48599434 0.52514921
0.39532292 0.58019986 0.43943649
0.35216604 0.89559631 0.36348470
0.31772018 0.79928770 0.23460911
0.42032955 0.75694576 0.34960387
0.31063938 0.85947361 0.06473296
0.17090513 0.80269917 0.09333759
0.19056152 0.90064990 0.97164989
0.25784603 0.91274933 0.55402336
0.13429626 -0.00374567 0.56184494
0.13211960 0.84083304 0.59932526
No title
1
14.538303 -0.288530 -0.467076
-0.292215 13.720776 -0.051125
-0.473839 -0.047732 13.432860
C H O N F
110 60 25 10 30
Direct configuration= 154
0.07100229 0.03533190 0.95201411
0.92538266 0.01246580 0.75658724
0.94904256 0.93417954 0.82369225
0.01984635 0.94727146 0.92169389
0.06314486 0.05527628 0.05466704
0.97351500 0.91475361 0.01446868
0.94620398 -0.01174182 0.65696933
0.98929370 0.85852177 0.75564094
0.96196821 0.98215846 0.18107306
0.94460916 0.07251101 0.22210349
0.88589664 0.08024376 0.29905928
0.92812092 0.89617522 0.22314354
0.86648223 0.90270899 0.29655450
0.84149505 0.99332967 0.33046395
0.70854131 0.05485923 0.39545342
0.70374235 0.11355604 0.48233113
0.64606602 0.19385475 0.48213924
0.64931096 0.06925661 0.31272992
0.58643677 0.14302422 0.31695192
0.58746848 0.20735807 0.39898371
0.87910567 0.18236168 0.34058100
0.75177895 0.08675877 0.56925411
0.84425834 0.47352879 0.09597785
0.85342872 0.57535711 0.14303208
0.91901638 0.60361009 0.06107356
0.89461148 0.50529815 0.00890378
0.76775578 0.40718551 0.06997223
0.81276849 0.50530176 0.92852644
0.91146130 0.57484864 0.24018109
0.01261668 0.59747045 0.11369115
0.67465556 0.39338617 0.90723401
0.59091528 0.34574730 0.94867933
0.53973849 0.27932583 0.87093060
0.66769754 0.41954417 0.80385628
0.60164872 0.37928315 0.73767719
0.53313073 0.31095628 0.76771699
0.38095337 0.26218473 0.68292275
0.34508734 0.20699173 0.59995689
0.25197380 0.21231640 0.56970486
0.32240831 0.31048932 0.74154169
0.23181077 0.31998660 0.70604221
0.19636466 0.27407527 0.61824829
0.51382281 0.18783916 0.89411332
0.40058815 0.13609474 0.54821640
0.75017153 0.83575736 0.72049149
0.66402499 0.84723645 0.78452987
0.60535067 0.84741147 0.68464618
0.68697232 0.82292044 0.62468474
0.80058502 0.74337200 0.73002137
0.69507005 0.72049825 0.58996771
0.65799831 0.95049541 0.82673216
0.59075144 0.95420545 0.66677533
0.80754527 0.59262729 0.62865750
0.89783358 0.57886946 0.66281379
0.92626074 0.48360424 0.68666831
0.75358396 0.51359851 0.58720111
0.78467514 0.42011894 0.60118604
0.86272031 0.40200580 0.66319420
0.86736786 0.26867747 0.78391172
0.94982205 0.24438468 0.83377580
0.94996954 0.20762174 0.93058695
0.78407175 0.23995693 0.82134934
0.78429948 0.19411499 0.91395450
0.86643872 0.18293067 0.97123633
0.00909190 0.49485289 0.74793579
0.03101559 0.24199605 0.77285153
0.55470715 0.44753597 0.96154625
0.47392600 0.44197071 0.12962437
0.54469580 0.52483765 0.13351401
0.58634419 0.53364970 0.02824569
0.50029482 0.48489893 0.88079798
0.54942174 0.62278626 0.96999709
0.50538925 0.36422070 0.18712402
0.61487714 0.49120542 0.21137561
0.47691983 0.63664953 0.79185024
0.47333371 0.58407667 0.70172967
0.42870038 0.61733109 0.61503875
0.44621408 0.73139950 0.79154606
0.40898900 0.76893380 0.70225894
0.39582284 0.71173047 0.61594590
0.27700971 0.72312792 0.48682530
0.26077620 0.75035459 0.38732533
0.17230420 0.73532208 0.34178459
0.20947061 0.67310742 0.53726531
0.12176950 0.65785553 0.49096382
0.10226232 0.69200797 0.39482781
0.41293597 0.54326575 0.53119670
0.33760309 0.79981588 0.33445109
0.20891763 0.39692596 0.19171415
0.29381258 0.34091143 0.22997552
0.28450475 0.27416878 0.13730339
0.19282338 0.32603619 0.10268154
0.24332402 0.49168609 0.14936045
0.20373758 0.38865709 0.01255709
0.27720973 0.27542114 0.31610392
0.28137646 0.17137120 0.17782708
0.25425501 0.56067423 0.97842586
0.25031062 0.65471390 0.01575315
0.24227326 0.73654855 0.95551446
0.26120060 0.54878331 0.87578362
0.25775088 0.63023747 0.81562439
0.24559415 0.72475610 0.85122432
0.25778222 0.88963416 0.78397827
0.21578381 0.95423842 0.71479761
0.21931135 0.05323416 0.73969596
0.31968009 0.92736608 0.85904500
0.32246712 0.02626317 0.88251307
0.26800772 0.08882592 0.82595629
0.22935514 0.82490320 0.01935120
0.18426261 0.92633225 0.60956045
0.11875984 0.07670666 0.90856766
0.89401345 0.07931539 0.77680071
0.89010566 0.90047236 0.86074185
0.06454302 0.88817965 0.90125932
0.97821840 0.13771026 0.19384872
0.94639654 0.82591388 0.19457947
0.83386623 0.83769379 0.32720918
0.64057520 0.23200984 0.55279250
0.65178244 0.02368975 0.24633445
0.53548361 0.15294728 0.25532265
0.53601376 0.26276063 0.39994498
0.00146562 0.85890788 0.60204511
0.73603956 0.51918984 0.28393677
0.79026474 0.61544857 0.14720211
0.90864470 0.66982088 0.01695288
0.95086290 0.46260351 0.98377663
0.60642290 0.30782806 0.01862775
0.71928184 0.47042558 0.77770755
0.59837726 0.39921622 0.65935450
0.22349472 0.16864837 0.50654626
0.34788211 0.34406060 0.81144355
0.18979261 0.36279708 0.75155194
0.12535080 0.28189131 0.58999326
0.05775352 0.58107960 0.26607744
0.79900289 0.89873378 0.72684541
0.65373476 0.79131202 0.84096623
0.54242268 0.80268910 0.67170847
0.69529669 0.86906494 0.55971003
0.94208959 0.64125105 0.68790432
0.68647394 0.52651010 0.54993913
0.74213083 0.35731047 0.57379262
1.01531064 0.19726935 0.97208859
0.71914073 0.24369230 0.77604614
0.71942815 0.16543666 0.94060387
0.86521803 0.15081325 0.04516207
0.61931355 0.08844546 0.74502206
0.43446338 0.36840800 1.01034011
0.40256058 0.45138783 0.10493063
0.52084302 0.59666460 0.15535125
0.66154796 0.54856441 0.03418694
0.50164957 0.51297534 0.69865492
0.45335189 0.77494007 0.85975870
0.38944317 0.84450989 0.69778887
0.15896639 0.75796661 0.26484382
0.22281763 0.65453862 0.61505718
0.06713081 0.62326191 0.53182303
0.03146579 0.68670278 0.36319761
0.63975910 0.35716459 0.27539802
0.15545121 0.40765482 0.24402281
0.35630206 0.38648746 0.24761374
0.33697470 0.27831141 0.08361512
0.13108842 0.27784271 0.09433718
0.24800583 0.66478030 0.09533987
0.26864780 0.47782283 0.84228967
0.26481152 0.62066216 0.73630753
0.18300592 0.10257173 0.68964457
0.35811335 0.87791727 0.90714041
0.36319690 0.05228754 0.94894526
0.26562569 0.16537336 0.84623512
0.27288874 0.12079861 0.32557254
0.09520829 0.12475322 0.10745985
0.91610911 0.84770570 0.02034146
0.94328367 0.03487569 0.57841612
0.03476646 0.78859824 0.78185011
0.77539077 0.98793018 0.39967576
0.72191425 0.35085251 0.12102029
0.77171752 0.58109654 0.90688739
0.88329327 0.56072997 0.32352555
0.08615289 0.59405236 0.07576769
0.47575465 0.27926798 0.69309475
0.85591996 0.72007131 0.79627736
0.64688250 0.67627627 0.52509113
0.68612611 0.97977485 0.91019607
0.56849548 0.98741606 0.58456878
0.87244576 0.30638490 0.68700420
0.45308666 0.43805276 0.81499852
0.55537917 0.70751733 0.99849353
0.47853725 0.27955872 0.20336581
0.68586938 0.54807155 0.24150594
0.36028213 0.75513122 0.53126896
0.27482908 0.56188038 0.19874811
0.18374108 0.36590598 0.92571917
0.27004918 0.30362741 0.40144350
0.29222938 0.09503372 0.13408629
0.23507809 0.79153788 0.77503423
0.00619990 0.97777619 0.09207726
0.96930608 0.88783539 0.65951035
0.75054377 0.41947828 0.96449428
0.00215217 0.58658364 0.21608087
0.77233402 0.68440195 0.64357312
0.61756517 0.00704395 0.75195010
0.50789480 0.58794806 0.87936434
0.59500630 0.40250542 0.23904055
0.24153657 0.48155589 0.04429258
0.27163646 0.18001985 0.28034297
0.79991583 0.22686837 0.30705910
0.95009155 0.24258790 0.31363888
0.88237665 0.18544117 0.44205739
0.77337195 0.99766415 0.58671255
0.62276456 0.18168345 0.71336240
0.77546532 0.14412765 0.64325091
0.38970310 0.32726410 0.96977413
0.47656891 0.12317014 0.82896259
0.52419861 0.14992119 0.98439941
0.38131848 0.13343418 0.44619954
0.38258369 0.04344080 0.57994590
0.49149710 0.15513235 0.56321558
0.85175033 0.45502416 0.84096637
0.07387606 0.55717288 0.72157960
0.02855934 0.46383775 0.83736673
1.01635827 0.17940044 0.69367741
0.10749035 0.21456963 0.82547763
0.05041989 0.33019696 0.72843594
0.34018252 0.48106231 0.54968692
0.48815001 0.48592828 0.52517969
0.39553047 0.58020840 0.43938961
0.35215471 0.89563107 0.36347992
0.31768868 0.79934639 0.23457177
0.42031309 0.75697058 0.34953708
0.31074297 0.85957487 0.06469158
0.17106192 0.80276579 0.09346035
0.19056323 0.90065118 0.97168676
0.25780304 0.91279704 0.55401744
0.13419879 -0.00379942 0.56196035
0.13217303 0.84077777 0.59945357
No title
1
14.538354 -0.288247 -0.467031
-0.291972 13.720243 -0.051528
-0.473835 -0.048136 13.432008
C H O N F
110 60 25 10 30
Direct configuration= 155
0.07095272 0.03529206 0.95199265
0.92534000 0.01239303 0.75655911
0.94900444 0.93409351 0.82367797
0.01981512 0.94718018 0.92167346
0.06310230 0.05523680 0.05466198
0.97350613 0.91468389 0.01446171
0.94613756 -0.01180147 0.65694208
0.98926137 0.85846201 0.75558943
0.96194509 0.98210673 0.18108122
0.94460304 0.07247142 0.22211556
0.88588997 0.08022109 0.29908241
0.92809508 0.89613913 0.22315512
0.86645541 0.90268333 0.29658392
0.84147858 0.99331627 0.33049434
0.70851460 0.05487019 0.39544735
0.70369138 0.11361471 0.48228424
0.64604611 0.19391377 0.48205395
0.64930384 0.06924182 0.31269784
0.58643739 0.14301958 0.31686794
0.58745675 0.20739558 0.39888455
0.87910802 0.18235281 0.34060489
0.75173724 0.08684183 0.56927428
0.84425247 0.47352886 0.09600322
0.85341173 0.57533934 0.14309281
0.91899958 0.60362470 0.06114674
0.89458877 0.50532653 0.00891881
0.76774313 0.40721074 0.06997560
0.81273600 0.50536817 0.92855785
0.91142903 0.57479473 0.24025490
0.01260712 0.59747403 0.11376816
0.67463465 0.39340260 0.90724657
0.59090111 0.34576618 0.94870672
0.53972072 0.27932979 0.87096348
0.66768202 0.41953998 0.80386130
0.60163244 0.37925436 0.73767801
0.53312537 0.31093083 0.76773603
0.38095060 0.26216448 0.68292312
0.34508953 0.20694514 0.59996215
0.25198173 0.21227873 0.56969740
0.32241045 0.31052398 0.74150486
0.23182401 0.32004812 0.70597154
0.19638362 0.27408894 0.61819232
0.51382354 0.18784240 0.89415765
0.40059392 0.13604265 0.54822112
0.75016064 0.83572459 0.72041139
0.66401907 0.84720119 0.78445524
0.60534338 0.84736825 0.68456828
0.68697075 0.82290034 0.62459400
0.80059808 0.74331114 0.72997644
0.69507047 0.72045747 0.58981485
0.65800159 0.95047718 0.82667967
0.59070393 0.95417546 0.66668729
0.80756089 0.59259135 0.62856758
0.89784245 0.57884792 0.66271372
0.92628798 0.48360587 0.68660933
0.75358476 0.51353387 0.58715956
0.78470145 0.42007202 0.60116865
0.86275560 0.40198184 0.66314983
0.86746382 0.26868760 0.78389212
0.94990322 0.24439602 0.83375891
0.95005768 0.20765941 0.93059344
0.78415006 0.23998921 0.82133429
0.78438715 0.19416871 0.91395698
0.86651151 0.18299323 0.97124175
0.00910385 0.49485338 0.74789925
0.03110551 0.24197529 0.77284365
0.55472718 0.44757390 0.96155560
0.47391011 0.44202643 0.12965629
0.54468640 0.52489016 0.13353731
0.58635881 0.53368491 0.02827170
0.50031666 0.48494578 0.88080718
0.54946869 0.62279656 0.96999602
0.50535691 0.36429568 0.18719388
0.61485840 0.49127841 0.21142762
0.47697171 0.63668585 0.79184785
0.47342273 0.58410821 0.70172129
0.42877341 0.61732904 0.61502564
0.44621932 0.73142518 0.79153187
0.40898494 0.76893541 0.70223733
0.39584552 0.71171486 0.61592403
0.27702338 0.72310007 0.48679441
0.26077103 0.75037359 0.38730206
0.17228940 0.73538554 0.34178082
0.20949293 0.67305023 0.53721948
0.12178127 0.65784284 0.49093609
0.10225250 0.69206368 0.39482353
0.41302817 0.54326181 0.53117154
0.33759167 0.79984371 0.33442534
0.20888137 0.39692505 0.19174811
0.29376279 0.34089179 0.23000944
0.28446467 0.27415821 0.13732157
0.19278327 0.32603568 0.10270619
0.24331992 0.49171811 0.14942260
0.20369328 0.38865307 0.01252389
0.27711765 0.27539284 0.31611985
0.28133058 0.17134400 0.17782771
0.25425110 0.56067862 0.97846235
0.25032365 0.65471839 0.01579719
0.24231151 0.73655985 0.95556127
0.26120558 0.54877546 0.87581584
0.25777344 0.63023486 0.81565524
0.24562988 0.72475889 0.85126361
0.25781828 0.88964324 0.78401978
0.21581594 0.95424459 0.71484601
0.21935018 0.05325020 0.73974137
0.31972137 0.92737257 0.85909053
0.32249859 0.02627472 0.88256752
0.26804770 0.08883904 0.82601137
0.22941845 0.82493574 0.01938989
0.18425638 0.92632137 0.60961844
0.11867980 0.07668052 0.90851887
0.89398835 0.07926237 0.77681131
0.89009080 0.90038473 0.86071915
0.06452721 0.88812526 0.90123896
0.97821875 0.13766608 0.19386635
0.94635399 0.82586115 0.19459652
0.83383681 0.83767578 0.32723995
0.64054214 0.23212089 0.55269197
0.65178801 0.02364267 0.24631401
0.53549451 0.15292833 0.25522429
0.53600332 0.26280352 0.39980689
0.00142070 0.85884966 0.60198343
0.73600570 0.51926420 0.28401649
0.79024765 0.61543544 0.14727558
0.90863228 0.66985896 0.01705679
0.95083276 0.46264659 0.98376168
0.60641058 0.30785968 0.01866316
0.71926036 0.47041445 0.77770128
0.59836255 0.39916782 0.65935216
0.22350254 0.16858150 0.50655018
0.34788357 0.34412848 0.81139895
0.18981082 0.36291744 0.75143664
0.12538075 0.28192574 0.58990542
0.05772269 0.58102000 0.26616442
0.79899736 0.89869672 0.72677925
0.65373725 0.79128175 0.84089780
0.54242712 0.80262779 0.67162968
0.69529014 0.86906098 0.55963033
0.94210012 0.64125439 0.68778020
0.68646144 0.52643155 0.54992133
0.74215758 0.35723713 0.57379584
1.01538869 0.19732428 0.97210369
0.71922855 0.24372830 0.77603409
0.71950703 0.16550373 0.94060536
0.86529607 0.15090108 0.04518476
0.61928266 0.08841491 0.74498923
0.43443314 0.36847758 1.01045418
0.40253612 0.45147601 0.10501658
0.52083343 0.59672684 0.15536027
0.66156342 0.54858207 0.03423621
0.50178813 0.51302270 0.69865787
0.45333162 0.77497410 0.85974834
0.38941313 0.84450560 0.69775413
0.15893546 0.75807165 0.26485204
0.22286265 0.65441072 0.61499479
0.06715067 0.62322774 0.53178983
0.03145052 0.68680113 0.36320803
0.63970731 0.35724522 0.27550736
0.15541692 0.40766686 0.24405882
0.35625528 0.38645394 0.24767740
0.33693512 0.27830765 0.08362920
0.13104673 0.27784852 0.09435805
0.24801200 0.66478631 0.09539052
0.26864143 0.47781105 0.84232201
0.26483180 0.62065838 0.73633425
0.18304640 0.10258720 0.68969099
0.35815829 0.87792430 0.90717858
0.36322254 0.05229452 0.94901268
0.26566581 0.16539249 0.84629424
0.27277329 0.12076284 0.32556967
0.09516664 0.12470225 0.10743304
0.91611591 0.84760642 0.02034960
0.94318635 0.03481158 0.57839699
0.03474784 0.78850915 0.78179536
0.77537524 0.98793646 0.39970391
0.72187436 0.35088651 0.12104654
0.77164684 0.58116232 0.90699224
0.88325446 0.56066171 0.32358877
0.08613744 0.59411467 0.07585942
0.47575394 0.27921800 0.69311586
0.85584857 0.72001933 0.79618430
0.64695285 0.67628016 0.52495181
0.68615429 0.97975675 0.91009495
0.56843802 0.98736997 0.58452523
0.87253519 0.30637143 0.68697302
0.45309546 0.43809858 0.81500168
0.55545619 0.70760077 0.99850755
0.47849373 0.27964036 0.20347142
0.68583981 0.54813913 0.24156622
0.36029747 0.75509585 0.53123473
0.27481835 0.56184345 0.19878134
0.18372289 0.36593700 0.92578374
0.26991275 0.30359838 0.40146348
0.29220340 0.09502300 0.13408830
0.23511497 0.79154193 0.77507516
0.00617329 0.97772408 0.09208843
0.96926744 0.88776889 0.65946599
0.75053618 0.41949194 0.96449994
0.00212469 0.58652132 0.21615947
0.77233521 0.68437705 0.64347410
0.61752404 0.00700222 0.75189265
0.50793951 0.58799639 0.87937078
0.59497432 0.40257406 0.23911113
0.24150945 0.48155493 0.04433149
0.27155148 0.17999288 0.28034681
0.79991742 0.22685895 0.30709022
0.95008911 0.24257101 0.31364349
0.88239288 0.18544100 0.44208316
0.77325825 0.99773952 0.58677807
0.62278473 0.18167532 0.71340271
0.77545850 0.14425463 0.64319117
0.38970101 0.32734570 0.96982189
0.47659133 0.12315215 0.82900884
0.52420615 0.14993681 0.98445331
0.38123035 0.13329301 0.44621307
0.38269099 0.04340167 0.58004671
0.49149870 0.15517075 0.56310631
0.85170746 0.45517822 0.84092997
0.07386471 0.55722136 0.72162529
0.02855123 0.46375288 0.83731426
1.01647697 0.17927704 0.69373543
0.10759358 0.21463445 0.82550284
0.05045313 0.33013465 0.72832929
0.34023472 0.48109447 0.54961121
0.48821981 0.48587834 0.52520337
0.39569102 0.58021441 0.43935510
0.35214616 0.89565743 0.36347624
0.31766503 0.79939184 0.23454446
0.42029916 0.75699074 0.34948561
0.31082070 0.85965243 0.06465966
0.17118212 0.80281716 0.09355449
0.19056400 0.90065306 0.97171469
0.25776943 0.91283417 0.55401329
0.13412347 -0.00384039 0.56204976
0.13221352 0.84073439 0.59955229
No title
1
14.538467 -0.288012 -0.466892
-0.291773 13.719793 -0.051850
-0.473736 -0.048457 13.431451
C H O N F
110 60 25 10 30
Direct configuration= 156
0.07091621 0.03526567 0.95197841
0.92530479 0.01234314 0.75652035
0.94897461 0.93402641 0.82366789
0.01978592 0.94710609 0.92165253
0.06307131 0.05520739 0.05465547
0.97348256 0.91460739 0.01446221
0.94607811 -0.01184449 0.65695087
0.98925407 0.85838268 0.75556055
0.96192781 0.98207332 0.18108857
0.94459304 0.07243788 0.22213154
0.88588954 0.08020570 0.29909556
0.92806585 0.89610061 0.22317417
0.86644174 0.90266971 0.29659911
0.84146495 0.99329978 0.33051863
0.70850031 0.05487597 0.39545144
0.70365391 0.11365726 0.48224556
0.64602958 0.19396531 0.48199330
0.64929580 0.06922477 0.31265945
0.58643893 0.14302089 0.31680902
0.58744416 0.20742327 0.39879607
0.87910974 0.18234407 0.34062311
0.75170369 0.08690293 0.56928880
0.84425026 0.47353536 0.09601968
0.85339752 0.57532684 0.14314337
0.91898661 0.60363577 0.06120501
0.89457594 0.50535142 0.00893568
0.76772530 0.40722234 0.06997696
0.81270624 0.50541805 0.92858062
0.91140963 0.57475330 0.24030267
0.01258993 0.59747661 0.11383467
0.67462077 0.39341730 0.90725713
0.59088867 0.34578084 0.94872804
0.53970564 0.27932957 0.87099152
0.66765668 0.41952755 0.80385825
0.60162930 0.37923671 0.73769015
0.53312263 0.31091110 0.76775237
0.38095249 0.26214079 0.68291301
0.34509375 0.20691231 0.59997328
0.25198929 0.21224109 0.56968328
0.32241082 0.31055880 0.74148651
0.23183339 0.32009155 0.70590513
0.19639662 0.27410801 0.61815767
0.51382569 0.18785039 0.89419171
0.40059774 0.13600010 0.54822407
0.75015414 0.83569387 0.72034885
0.66401511 0.84717471 0.78439487
0.60533676 0.84733530 0.68450399
0.68696896 0.82287800 0.62451921
0.80056118 0.74328668 0.72988951
0.69510746 0.72046532 0.58974589
0.65799359 0.95045038 0.82660653
0.59067813 0.95413342 0.66665792
0.80756266 0.59256486 0.62849232
0.89785688 0.57883463 0.66263590
0.92631316 0.48360298 0.68656420
0.75358954 0.51349074 0.58712913
0.78471456 0.42002344 0.60114872
0.86278960 0.40196212 0.66311965
0.86751551 0.26869674 0.78387250
0.94998510 0.24439887 0.83375864
0.95011159 0.20769078 0.93059124
0.78423331 0.24001594 0.82132882
0.78443736 0.19421361 0.91394711
0.86659266 0.18304268 0.97125441
0.00910714 0.49485462 0.74786607
0.03117451 0.24195821 0.77283540
0.55474429 0.44760249 0.96156449
0.47389611 0.44207440 0.12967970
0.54467902 0.52493334 0.13355665
0.58637005 0.53371194 0.02829175
0.50033075 0.48497829 0.88080906
0.54951061 0.62287128 0.97001645
0.50533250 0.36434789 0.18725399
0.61483868 0.49132581 0.21147032
0.47701219 0.63671763 0.79184269
0.47349606 0.58413188 0.70171997
0.42883054 0.61732862 0.61501126
0.44622491 0.73144504 0.79152438
0.40898069 0.76893580 0.70221608
0.39586444 0.71170337 0.61590916
0.27703452 0.72308034 0.48676315
0.26077011 0.75038820 0.38728947
0.17227560 0.73543757 0.34177319
0.20951322 0.67300298 0.53718934
0.12178720 0.65783404 0.49090737
0.10224582 0.69210655 0.39482590
0.41310282 0.54325847 0.53115210
0.33758191 0.79986663 0.33440474
0.20885303 0.39692739 0.19177375
0.29372227 0.34087614 0.23003725
0.28443150 0.27414835 0.13733500
0.19275223 0.32603761 0.10272198
0.24329336 0.49168959 0.14943868
0.20367487 0.38866757 0.01258260
0.27704382 0.27537013 0.31613597
0.28129204 0.17134192 0.17783742
0.25424772 0.56067197 0.97848873
0.25033379 0.65472921 0.01583747
0.24234255 0.73656687 0.95559655
0.26120889 0.54877665 0.87584526
0.25779221 0.63022705 0.81567913
0.24565831 0.72476561 0.85129946
0.25785222 0.88964807 0.78406071
0.21583936 0.95425499 0.71488135
0.21938498 0.05325873 0.73978299
0.31975023 0.92738136 0.85912168
0.32252998 0.02627803 0.88261809
0.26807367 0.08885506 0.82604849
0.22946867 0.82496230 0.01942071
0.18425163 0.92631178 0.60966615
0.11861370 0.07665748 0.90848147
0.89397332 0.07920845 0.77681647
0.89007784 0.90031238 0.86070116
0.06451610 0.88807917 0.90122252
0.97822002 0.13763201 0.19387950
0.94631986 0.82582054 0.19460990
0.83381165 0.83765799 0.32726596
0.64051601 0.23220845 0.55260839
0.65179272 0.02360757 0.24630199
0.53550146 0.15291312 0.25514244
0.53599539 0.26283749 0.39969624
0.00138494 0.85880246 0.60193575
0.73597744 0.51932473 0.28407926
0.79023442 0.61542371 0.14733405
0.90862226 0.66988919 0.01714065
0.95080899 0.46268074 0.98374891
0.60640086 0.30788545 0.01869168
0.71924698 0.47040879 0.77769497
0.59835042 0.39912934 0.65934696
0.22350987 0.16852981 0.50655636
0.34788412 0.34418129 0.81135943
0.18982420 0.36301557 0.75134604
0.12540490 0.28195275 0.58983466
0.05769788 0.58097213 0.26623425
0.79899345 0.89866775 0.72672592
0.65373884 0.79125662 0.84084304
0.54243122 0.80257869 0.67156618
0.69528562 0.86905827 0.55956606
0.94210733 0.64125485 0.68767972
0.68645062 0.52636764 0.54990614
0.74218221 0.35718263 0.57380059
1.01545670 0.19736733 0.97211916
0.71929268 0.24375736 0.77602102
0.71957385 0.16555873 0.94060645
0.86535755 0.15097209 0.04520124
0.61925801 0.08838735 0.74496353
0.43440904 0.36853380 1.01054616
0.40251646 0.45154656 0.10508566
0.52082585 0.59677647 0.15536677
0.66157593 0.54859655 0.03427561
0.50189880 0.51306118 0.69866003
0.45331567 0.77500064 0.85973917
0.38938919 0.84450235 0.69772645
0.15891102 0.75815573 0.26486043
0.22289847 0.65430857 0.61494282
0.06716644 0.62319996 0.53176377
0.03143749 0.68687999 0.36321579
0.63966805 0.35730741 0.27559652
0.15538907 0.40767607 0.24408771
0.35621788 0.38642696 0.24772874
0.33690353 0.27830497 0.08364097
0.13101277 0.27785299 0.09437520
0.24801698 0.66479117 0.09542833
0.26863692 0.47779932 0.84234671
0.26484795 0.62065591 0.73635601
0.18307751 0.10260152 0.68972639
0.35819580 0.87792853 0.90721084
0.36324195 0.05229976 0.94906469
0.26569849 0.16540626 0.84634167
0.27268065 0.12073462 0.32556751
0.09513254 0.12466079 0.10741085
0.91613755 0.84754683 0.02035386
0.94310925 0.03476372 0.57837151
0.03471527 0.78846519 0.78174151
0.77535763 0.98794580 0.39972701
0.72184382 0.35091518 0.12106691
0.77159080 0.58121773 0.90707638
0.88321962 0.56060535 0.32364934
0.08613328 0.59416416 0.07592890
0.47574965 0.27917654 0.69313151
0.85583136 0.71995952 0.79615745
0.64697620 0.67625131 0.52479471
0.68618592 0.97975178 0.91004003
0.56838231 0.98734801 0.58445486
0.87260728 0.30636249 0.68694671
0.45310438 0.43813738 0.81500633
0.55551332 0.70760875 0.99849942
0.47845966 0.27971000 0.20355534
0.68582033 0.54819471 0.24161648
0.36030982 0.75506711 0.53120778
0.27482896 0.56185787 0.19883778
0.18369195 0.36594328 0.92576157
0.26980344 0.30357380 0.40147526
0.29218443 0.09499793 0.13408060
0.23514371 0.79154532 0.77510554
0.00615225 0.97767943 0.09208787
0.96923826 0.88771500 0.65942634
0.75053110 0.41950363 0.96450675
0.00210083 0.58647113 0.21622387
0.77234004 0.68434619 0.64339080
0.61749024 0.00697402 0.75184448
0.50797615 0.58803199 0.87937672
0.59494762 0.40264075 0.23916284
0.24149095 0.48156277 0.04435931
0.27148316 0.17997044 0.28035049
0.79991813 0.22685167 0.30711483
0.95008782 0.24255752 0.31364702
0.88240577 0.18544095 0.44210483
0.77316579 0.99780615 0.58682928
0.62280082 0.18166950 0.71343423
0.77545308 0.14435708 0.64314325
0.38969919 0.32741109 0.96985956
0.47660873 0.12313652 0.82904512
0.52421238 0.14994889 0.98449753
0.38115981 0.13317937 0.44622431
0.38277719 0.04337065 0.58012824
0.49150033 0.15520093 0.56301928
0.85167363 0.45530187 0.84090073
0.07385662 0.55726017 0.72166240
0.02854562 0.46368399 0.83727417
1.01657176 0.17917903 0.69378182
0.10767485 0.21468593 0.82552274
0.05048045 0.33008526 0.72824433
0.34027567 0.48111915 0.54955093
0.48827492 0.48583979 0.52522230
0.39581959 0.58021953 0.43932741
0.35213957 0.89567810 0.36347362
0.31764641 0.79942843 0.23452288
0.42028882 0.75700673 0.34944497
0.31088108 0.85971394 0.06463433
0.17127746 0.80285837 0.09362990
0.19056491 0.90065465 0.97173708
0.25774328 0.91286399 0.55400961
0.13406261 -0.00387215 0.56212130
0.13224594 0.84069984 0.59963087
No title
1
14.538624 -0.287717 -0.466823
-0.291518 13.719366 -0.052210
-0.473711 -0.048819 13.430663
C H O N F
110 60 25 10 30
Direct configuration= 157
0.07084992 0.03519663 0.95193877
0.92525445 0.01227612 0.75652505
0.94895621 0.93395694 0.82363189
0.01975328 0.94705968 0.92164007
0.06302230 0.05514892 0.05464054
0.97349890 0.91456094 0.01446019
0.94601204 -0.01191180 0.65691428
0.98921592 0.85831774 0.75551215
0.96190840 0.98202987 0.18109386
0.94457948 0.07240249 0.22215534
0.88588563 0.08018417 0.29911621
0.92802977 0.89605021 0.22319763
0.86641956 0.90264617 0.29662280
0.84145253 0.99328692 0.33054457
0.70847159 0.05488210 0.39542695
0.70364965 0.11368792 0.48226664
0.64599167 0.19404347 0.48190783
0.64929417 0.06920574 0.31263013
0.58643515 0.14302370 0.31672680
0.58743528 0.20745414 0.39868999
0.87911291 0.18232900 0.34064101
0.75161878 0.08698879 0.56921472
0.84423786 0.47353360 0.09603128
0.85337855 0.57531699 0.14320845
0.91897359 0.60365249 0.06127654
0.89455919 0.50539074 0.00896260
0.76769522 0.40722516 0.06999634
0.81266555 0.50548408 0.92860601
0.91138176 0.57469879 0.24037849
0.01257077 0.59747991 0.11391688
0.67460213 0.39343626 0.90727138
0.59087297 0.34579677 0.94875480
0.53969129 0.27934404 0.87102411
0.66763568 0.41951896 0.80385895
0.60161872 0.37921026 0.73769829
0.53311462 0.31088315 0.76777006
0.38095014 0.26212106 0.68291468
0.34509536 0.20686420 0.59997818
0.25199890 0.21220103 0.56967466
0.32241066 0.31059439 0.74144777
0.23185075 0.32015433 0.70583551
0.19641226 0.27412232 0.61810000
0.51382399 0.18784424 0.89423830
0.40060176 0.13594730 0.54822855
0.75014771 0.83565939 0.72026973
0.66400953 0.84714022 0.78431761
0.60532824 0.84729199 0.68442363
0.68696832 0.82285304 0.62442692
0.80052813 0.74325084 0.72979405
0.69512741 0.72044199 0.58961779
0.65799321 0.95042102 0.82654057
0.59063340 0.95409375 0.66658021
0.80756541 0.59252185 0.62839511
0.89787614 0.57883255 0.66253864
0.92634268 0.48358702 0.68650607
0.75359334 0.51344259 0.58708972
0.78472899 0.41995785 0.60112128
0.86283730 0.40194487 0.66308433
0.86760107 0.26870618 0.78385412
0.95007243 0.24440716 0.83375030
0.95019168 0.20773051 0.93059079
0.78432373 0.24005062 0.82131429
0.78451771 0.19426778 0.91394699
0.86667623 0.18310565 0.97126359
0.00910425 0.49484422 0.74784032
0.03126381 0.24193438 0.77282525
0.55476519 0.44763998 0.96157407
0.47387906 0.44213272 0.12970933
0.54467230 0.52498713 0.13358021
0.58638520 0.53374965 0.02832045
0.50035288 0.48502652 0.88081840
0.54955888 0.62288271 0.97001862
0.50530293 0.36442303 0.18732709
0.61481029 0.49138899 0.21152018
0.47706407 0.63675701 0.79183892
0.47358753 0.58416199 0.70171386
0.42890466 0.61732776 0.61499596
0.44623164 0.73147069 0.79151304
0.40897622 0.76893771 0.70219276
0.39588752 0.71168698 0.61588702
0.27704775 0.72305294 0.48672961
0.26076609 0.75040759 0.38726847
0.17226070 0.73550233 0.34176955
0.20953712 0.67294483 0.53714427
0.12179832 0.65782143 0.49087777
0.10223600 0.69216310 0.39482284
0.41319381 0.54325478 0.53112965
0.33756954 0.79989480 0.33438073
0.20881615 0.39692814 0.19180741
0.29367264 0.34085843 0.23007317
0.28439096 0.27413605 0.13735165
0.19271205 0.32603843 0.10274488
0.24328000 0.49170119 0.14948890
0.20363704 0.38867056 0.01258271
0.27695127 0.27533535 0.31613893
0.28124268 0.17133741 0.17785005
0.25424382 0.56067477 0.97852487
0.25034701 0.65473472 0.01588560
0.24238224 0.73657754 0.95564252
0.26121370 0.54877190 0.87587934
0.25781513 0.63022383 0.81571393
0.24569454 0.72477042 0.85133959
0.25789056 0.88965548 0.78410600
0.21587151 0.95426435 0.71493031
0.21942568 0.05327250 0.73983102
0.31979074 0.92738944 0.85916575
0.32256468 0.02628779 0.88267635
0.26811186 0.08887105 0.82610185
0.22952559 0.82499913 0.01945734
0.18424245 0.92630060 0.60972372
0.11853044 0.07662941 0.90843704
0.89395611 0.07913928 0.77681859
0.89004467 0.90021317 0.86068179
0.06451230 0.88800838 0.90120121
0.97822120 0.13758735 0.19389607
0.94627663 0.82576951 0.19462697
0.83378134 0.83763785 0.32729739
0.64048459 0.23231716 0.55250173
0.65179871 0.02355944 0.24628132
0.53551393 0.15289322 0.25504294
0.53598327 0.26288242 0.39955629
0.00134095 0.85874522 0.60187329
0.73594322 0.51940073 0.28415960
0.79021769 0.61540789 0.14740825
0.90860945 0.66992621 0.01724755
0.95078498 0.46271951 0.98372908
0.60638901 0.30791805 0.01872851
0.71922731 0.47039877 0.77768824
0.59833551 0.39908042 0.65934191
0.22351803 0.16846223 0.50656169
0.34788638 0.34425083 0.81131485
0.18984226 0.36313799 0.75122956
0.12543624 0.28198700 0.58974641
0.05766541 0.58091176 0.26632228
0.79898840 0.89862949 0.72665854
0.65374083 0.79122490 0.84077361
0.54243634 0.80251667 0.67148543
0.69528002 0.86905492 0.55948411
0.94211364 0.64125119 0.68755081
0.68643902 0.52628658 0.54988771
0.74221376 0.35711477 0.57380697
1.01553929 0.19742173 0.97213668
0.71937776 0.24379411 0.77600805
0.71965463 0.16562713 0.94060890
0.86543589 0.15106142 0.04522353
0.61922617 0.08835361 0.74493056
0.43437764 0.36860400 1.01066172
0.40249079 0.45163608 0.10517348
0.52081562 0.59684031 0.15537574
0.66159115 0.54861471 0.03432502
0.50203868 0.51310986 0.69866282
0.45329543 0.77503468 0.85972756
0.38935887 0.84449848 0.69769136
0.15887986 0.75826285 0.26486930
0.22294414 0.65417882 0.61487977
0.06718620 0.62316494 0.53173033
0.03142203 0.68697955 0.36322650
0.63961653 0.35738844 0.27570732
0.15535378 0.40768787 0.24412393
0.35616931 0.38639233 0.24779333
0.33686348 0.27830181 0.08365608
0.13097009 0.27785867 0.09439609
0.24802344 0.66479769 0.09547841
0.26863097 0.47778617 0.84237928
0.26486871 0.62065235 0.73638140
0.18311778 0.10261815 0.68977269
0.35824220 0.87793506 0.90725012
0.36326788 0.05230689 0.94913221
0.26573960 0.16542501 0.84640171
0.27256366 0.12069886 0.32556426
0.09509900 0.12463158 0.10740011
0.91612385 0.84742478 0.02036555
0.94300902 0.03470219 0.57834904
0.03469729 0.78837456 0.78168547
0.77533361 0.98795506 0.39976461
0.72181631 0.35096417 0.12107926
0.77152324 0.58128377 0.90718521
0.88317854 0.56053604 0.32371489
0.08612545 0.59422686 0.07601818
0.47575151 0.27912605 0.69315394
0.85579933 0.71988724 0.79611191
0.64703258 0.67624033 0.52463177
0.68621903 0.97973922 0.90994959
0.56832271 0.98730666 0.58439899
0.87269738 0.30634734 0.68691482
0.45311352 0.43818378 0.81500868
0.55559037 0.70769233 0.99851282
0.47841460 0.27979188 0.20366299
0.68579629 0.54826661 0.24167965
0.36032624 0.75503118 0.53117346
0.27482498 0.56183771 0.19888334
0.18366746 0.36596749 0.92579780
0.26966358 0.30354807 0.40150617
0.29216019 0.09496707 0.13407083
0.23518073 0.79154908 0.77514609
0.00612635 0.97761799 0.09207084
0.96919857 0.88765284 0.65938959
0.75052150 0.41951877 0.96451287
0.00207282 0.58640794 0.21630409
0.77234314 0.68431505 0.64328598
0.61744785 0.00694105 0.75178415
0.50802016 0.58807848 0.87937919
0.59491639 0.40271687 0.23923374
0.24146448 0.48156431 0.04439834
0.27139662 0.17994199 0.28035578
0.79991755 0.22684340 0.30714594
0.95008744 0.24254176 0.31365178
0.88242174 0.18544107 0.44213590
0.77305236 0.99787610 0.58690124
0.62282227 0.18166024 0.71347351
0.77545697 0.14450852 0.64311378
0.38969805 0.32749520 0.96990842
0.47663204 0.12311913 0.82909269
0.52422023 0.14996656 0.98455023
0.38107055 0.13303466 0.44623911
0.38288686 0.04333172 0.58023228
0.49150343 0.15523866 0.56290897
0.85163011 0.45545820 0.84086506
0.07385570 0.55731718 0.72170649
0.02853642 0.46360050 0.83721231
1.01669075 0.17905669 0.69384024
0.10777666 0.21475013 0.82554621
0.05051477 0.33002371 0.72813637
0.34032787 0.48114973 0.54947500
0.48834614 0.48579075 0.52524593
0.39598278 0.58022655 0.43929087
0.35213136 0.89570500 0.36347062
0.31762283 0.79947493 0.23449532
0.42027737 0.75702618 0.34939365
0.31095810 0.85979148 0.06460409
0.17139748 0.80291053 0.09372496
0.19056782 0.90065471 0.97176669
0.25771127 0.91290163 0.55400485
0.13398647 -0.00391272 0.56221275
0.13228903 0.84065686 0.59973071
No title
1
14.538708 -0.287399 -0.466733
-0.291242 13.718796 -0.052569
-0.473661 -0.049179 13.429984
C H O N F
110 60 25 10 30
Direct configuration= 158
0.07079028 0.03515129 0.95193063
0.92521218 0.01220117 0.75653839
0.94893353 0.93388597 0.82360642
0.01973306 0.94700614 0.92162114
0.06297930 0.05508084 0.05457641
0.97346651 0.91446405 0.01446063
0.94595359 -0.01198353 0.65686374
0.98918368 0.85825479 0.75546961
0.96188205 0.98197337 0.18110631
0.94457850 0.07236834 0.22216196
0.88587235 0.08016101 0.29914690
0.92801138 0.89602097 0.22320077
0.86638553 0.90261527 0.29665964
0.84144036 0.99328014 0.33056967
0.70844545 0.05488988 0.39541547
0.70360221 0.11374314 0.48221971
0.64597049 0.19410000 0.48182767
0.64928909 0.06919456 0.31260528
0.58643497 0.14301551 0.31664119
0.58742438 0.20749214 0.39859921
0.87911650 0.18231831 0.34066086
0.75158216 0.08707067 0.56923966
0.84422201 0.47353217 0.09604281
0.85336413 0.57530485 0.14326724
0.91896192 0.60366869 0.06134628
0.89454361 0.50542456 0.00898483
0.76767825 0.40723863 0.07000948
0.81262825 0.50554831 0.92863087
0.91135290 0.57464714 0.24045225
0.01254619 0.59748400 0.11399593
0.67457968 0.39345150 0.90728433
0.59086029 0.34581448 0.94877958
0.53967599 0.27935234 0.87105465
0.66763469 0.41952389 0.80386816
0.60159557 0.37917827 0.73768982
0.53310767 0.31085724 0.76778784
0.38094405 0.26211081 0.68292766
0.34509581 0.20681398 0.59997643
0.25200427 0.21217268 0.56967583
0.32241454 0.31062029 0.74140027
0.23186615 0.32021981 0.70578028
0.19643144 0.27412588 0.61803540
0.51382363 0.18784322 0.89428065
0.40060616 0.13589806 0.54823474
0.75013997 0.83562928 0.72019437
0.66400444 0.84710762 0.78424665
0.60532109 0.84725157 0.68434834
0.68696738 0.82283121 0.62433971
0.80052612 0.74320197 0.72973574
0.69513594 0.72041199 0.58948369
0.65798338 0.95038896 0.82645188
0.59059659 0.95405541 0.66652184
0.80758211 0.59249130 0.62831324
0.89788562 0.57881667 0.66244454
0.92636331 0.48358133 0.68644501
0.75359269 0.51337510 0.58704808
0.78475471 0.41991994 0.60110418
0.86287139 0.40192450 0.66304442
0.86771201 0.26871397 0.78384026
0.95013435 0.24442293 0.83372478
0.95028878 0.20776528 0.93060258
0.78438127 0.24008155 0.82129427
0.78461883 0.19431697 0.91396105
0.86672606 0.18316560 0.97126182
0.00911696 0.49484252 0.74782146
0.03134662 0.24191269 0.77281701
0.55478513 0.44767526 0.96158193
0.47386541 0.44218456 0.12973971
0.54466337 0.52503752 0.13360204
0.58639946 0.53378161 0.02834582
0.50036641 0.48505804 0.88081565
0.54960855 0.62296924 0.97004361
0.50527206 0.36449628 0.18739206
0.61479578 0.49146426 0.21156836
0.47711159 0.63679947 0.79183585
0.47367260 0.58418848 0.70170474
0.42897447 0.61732833 0.61498444
0.44623751 0.73149225 0.79149814
0.40897317 0.76894094 0.70217539
0.39590874 0.71166893 0.61586327
0.27705934 0.72302343 0.48670778
0.26075934 0.75042742 0.38724123
0.17224814 0.73556152 0.34177200
0.20955770 0.67289273 0.53709348
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