GS B HO energy "1.985, 1.919" "2.60, 2.10 Rb" Energy x y+z Total energy x y+z "2.60, 2.10 Rb" 7.698 0.000761699 -0.001287216 7.6866 0.000506281 0.000543699 7.698 -0.000742338 -0.003665487 -0.004407825 7.6866 3.15042E-06 3.42675E-05 3.74179E-05 7.699 0.002252644 0.009021057 7.6876 0.000523732 0.000563383 7.699 -0.000952576 -0.001247942 -0.002200518 7.6876 3.4405E-06 3.6211E-05 3.96515E-05 7.7 0.001259895 -0.001537496 7.6886 0.000542308 0.000584423 7.7 0.001470245 -0.001562069 -9.18238E-05 7.6886 3.76145E-06 3.83534E-05 4.21148E-05 7.701 0.000728588 -0.000565874 7.6896 0.000562119 0.000606959 7.701 0.000861394 0.000199476 0.00106087 7.6896 4.1174E-06 4.07228E-05 4.48402E-05 7.702 -0.000368858 -0.00431152 7.6906 0.000583289 0.000631154 7.702 9.85169E-05 0.003530946 0.003629463 7.6906 4.51312E-06 4.33527E-05 4.78658E-05 7.703 -0.000546161 -0.000318123 7.6916 0.000605958 0.000657194 7.703 -0.001580257 0.005520429 0.003940172 7.6916 4.95424E-06 4.62825E-05 5.12368E-05 7.704 -6.01482E-05 0.000253704 7.6926 0.000630286 0.000685293 7.704 -0.001958036 0.003729754 0.001771718 7.6926 5.44734E-06 4.95594E-05 5.50068E-05 7.705 -0.001339523 -0.001139533 7.6936 0.000656459 0.000715699 7.705 -6.78731E-05 -0.001169989 -0.001237862 7.6936 6.0002E-06 5.32402E-05 5.92404E-05 7.7052 0.000333235 0.001120615 7.6946 0.000684687 0.000748702 7.7052 0.002211861 -0.004027486 -0.001815625 7.6946 6.62203E-06 5.73933E-05 6.40153E-05 7.7054 -0.000934738 0.000384227 7.6956 0.000715216 0.000784643 7.7054 0.00248851 -0.000416839 0.00207167 7.6956 7.32386E-06 6.21022E-05 6.9426E-05 7.7056 -0.001778128 0.008310863 7.6966 0.000748333 0.000823921 7.7056 0.000240202 0.001343907 0.001584109 7.6966 8.11893E-06 6.74691E-05 7.55881E-05 7.7058 -0.000743997 0.000300736 7.6976 0.000784371 0.000867015 7.7058 -0.003871614 0.005751953 0.001880339 7.6976 9.02319E-06 7.36208E-05 8.2644E-05 7.706 0.000435491 0.005649742 7.6986 0.000823726 0.000914497 7.706 -0.004169096 0.006116482 0.001947386 7.6986 1.00561E-05 8.0715E-05 9.07711E-05 7.7062 -7.81146E-05 0.00140906 7.6996 0.000866869 0.000967061 7.7062 -0.002119761 0.00291288 0.000793119 7.6996 1.12414E-05 8.89506E-05 0.000100192 7.7064 -2.78263E-05 0.000508562 7.7006 0.000914362 0.001025551 7.7064 -0.001766701 0.003727063 0.001960361 7.7006 1.26086E-05 9.85808E-05 0.000111189 7.7066 -0.000324945 0.004610422 7.7016 0.000966888 0.001091014 7.7066 0.00187385 -0.002218712 -0.000344862 7.7016 1.41941E-05 0.000109932 0.000124126 7.7068 -0.001346361 0.003573848 7.7026 0.001025283 0.001164756 7.7068 0.001996239 -0.001287231 0.000709008 7.7026 1.60438E-05 0.000123429 0.000139473 7.707 0.000852025 -0.002849682 7.7036 0.001090585 0.001248434 7.707 0.003170333 -0.004517933 -0.0013476 7.7036 1.82149E-05 0.000139634 0.000157849 7.7072 -0.000761637 -0.004951831 7.7046 0.001164109 0.00134419 7.7072 -0.000788393 -5.68735E-06 -0.00079408 7.7046 2.0779E-05 0.000159302 0.000180081 7.7074 0.000322518 0.005592397 7.7056 0.00124758 0.001454853 7.7074 -0.003627073 0.003197498 -0.000429574 7.7056 2.38202E-05 0.000183452 0.000207272 7.7076 -0.000745436 -0.008692596 7.7066 0.001343451 0.001584313 7.7076 -0.003145548 0.006564572 0.003419024 7.7066 2.74055E-05 0.000213456 0.000240862 7.7078 -8.40783E-05 0.000940971 7.7076 0.001456351 0.001738568 7.7078 -0.002315011 0.004645532 0.002330521 7.7076 3.13275E-05 0.000250889 0.000282217 7.708 2.96024E-05 -0.004433947 7.7086 0.001595452 0.001929601 7.708 0.0015173 -0.000515557 0.001001742 7.7086 3.55875E-05 0.000298561 0.000334149 7.7082 -0.000286983 0.001402566 7.7096 0.001772735 0.002187323 7.7082 -0.000406158 0.000642441 0.000236283 7.7096 4.4664E-05 0.000369925 0.000414588 7.7084 -0.000306354 0.0063712 7.7106 0.0020149 0.002549132 7.7084 -0.001013959 -0.000615315 -0.001629274 7.7106 5.60825E-05 0.000478149 0.000534232 7.7086 0.000857866 -0.003547917 7.7116 0.002360616 0.003064707 7.7086 -0.00401848 0.00513342 0.00111494 7.7116 7.10589E-05 0.000633032 0.000704091 7.7088 0.000701901 0.002132178 7.71185 0.002466117 0.003227934 7.7088 -0.002090387 0.003015229 0.000924841 7.71185 7.5557E-05 0.00068626 0.000761817 7.709 0.001241602 0.00405148 7.7121 0.00257871 0.003409113 7.709 0.003634519 0.000826073 0.004460593 7.7121 8.05441E-05 0.000749859 0.000830403 7.7092 0.000228596 0.0132408 7.71235 0.002700223 0.003611031 7.7092 0.004403608 -0.002315826 0.002087782 7.71235 8.63694E-05 0.000824439 0.000910808 7.7094 0.001525226 0.005068044 7.7126 0.002833155 0.003836205 7.7094 0.005344533 -0.005383338 -3.88043E-05 7.7126 9.33112E-05 0.000909738 0.00100305 7.7096 0.001863204 0.004410648 7.71285 0.002980081 0.00408493 7.7096 0.001170005 -0.002567676 -0.001397671 7.71285 0.000101231 0.001003618 0.001104849 7.7098 0.002844634 -0.00099026 7.7131 0.003143529 0.004354729 7.7098 0.000137815 -0.002259856 -0.002122041 7.7131 0.000109771 0.001101429 0.0012112 7.71 0.001096059 0.00859229 7.71335 0.003325434 0.004647226 7.71 0.002218867 -0.003668616 -0.001449749 7.71335 0.000118844 0.001202948 0.001321792 7.7102 0.002660578 -0.000477724 7.7136 0.003526029 0.004973262 7.7102 0.002454267 -0.004345789 -0.001891522 7.7136 0.000129058 0.001318174 0.001447232 7.7104 0.002568599 0.005027884 7.71385 0.003744026 0.00534636 7.7104 0.005217044 -0.003497307 0.001719737 7.71385 0.000141591 0.001460743 0.001602334 7.7106 0.001830011 -0.000371877 7.7141 0.003981941 0.00577899 7.7106 0.002406156 -0.001040694 0.001365462 7.7141 0.000157275 0.001639773 0.001797049 7.7108 0.001409655 -0.001072927 7.71435 0.004248993 0.006284931 7.7108 0.000240049 -0.001182719 -0.000942669 7.71435 0.000176093 0.001859844 0.002035938 7.711 0.000820773 -0.007171169 7.7146 0.004553804 0.006881733 7.711 -0.000854288 -0.001406406 -0.002260695 7.7146 0.000198014 0.002129915 0.002327929 7.7112 0.00012469 0.006804986 7.71485 0.004897358 0.0075914 7.7112 -0.001760737 0.000624196 -0.001136541 7.71485 0.000223593 0.00247045 0.002694042 7.7114 0.000757295 0.007469694 7.7151 0.005274995 0.008437722 7.7114 -0.0013433 0.004599155 0.003255855 7.7151 0.000253818 0.002908908 0.003162726 7.7116 0.000859384 0.004231678 7.71535 0.005688415 0.009436991 7.7116 -0.000918262 0.004832642 0.00391438 7.71535 0.000289734 0.003458842 0.003748576 7.7118 0.002252158 -0.00169379 7.7156 0.006148394 0.010583661 7.7118 -0.00298281 0.007501186 0.004518376 7.7156 0.000332031 0.004103236 0.004435267 7.712 0.001195659 -0.006979166 7.71585 0.00665941 0.011853662 7.712 -0.003122639 0.006330788 0.003208148 7.71585 0.000381112 0.004813141 0.005194252 7.7122 0.000151794 0.004428312 7.7161 0.007215472 0.013250427 7.7122 -0.003422172 0.005566313 0.002144142 7.7161 0.000438311 0.005596644 0.006034956 7.7124 0.000501024 0.002338649 7.71635 0.007817737 0.01484578 7.7124 -0.001271457 0.002098137 0.000826681 7.71635 0.000506918 0.006521125 0.007028043 7.7126 0.001042048 0.006631805 7.7166 0.008481231 0.016734236 7.7126 0.000827423 0.000690237 0.00151766 7.7166 0.000590372 0.007662634 0.008253006 7.7128 0.00074581 0.002853826 7.71685 0.009216771 0.01892741 7.7128 -8.4768E-05 0.002538418 0.00245365 7.71685 0.000688289 0.00902235 0.009710639 7.713 0.001395623 0.001760438 7.7171 0.010022762 0.021293258 7.713 0.00179714 0.002181118 0.003978258 7.7171 0.000794046 0.01047645 0.011270496 7.7132 0.002587323 0.003115932 7.71735 0.010900867 0.02363334 7.7132 0.000711087 0.004267757 0.004978844 7.71735 0.000898225 0.011834248 0.012732473 7.7134 0.002177405 0.002919621 7.7176 0.01186596 0.025882475 7.7134 0.001742637 0.001698156 0.003440793 7.7176 0.000996057 0.013020458 0.014016515 7.7136 0.003240854 0.002854882 7.71785 0.012937469 0.0281931 7.7136 -0.000672328 0.004308734 0.003636406 7.71785 0.00108624 0.014169391 0.015255631 7.7138 0.002255469 0.013210371 7.7181 0.014131218 0.030785836 7.7138 -0.001055127 0.00396265 0.002907523 7.7181 0.001162686 0.015491932 0.016654618 7.714 0.00425161 -0.000521828 7.71835 0.01545606 0.033776817 7.714 -0.004687655 0.006646263 0.001958608 7.71835 0.001215336 0.017105421 0.018320756 7.7142 0.003218458 0.004681707 7.7186 0.016912848 0.037130504 7.7142 -0.003688033 0.006148705 0.002460672 7.7186 0.001241311 0.018976345 0.020217656 7.7144 0.003696766 0.008469215 7.71885 0.018498146 0.040702106 7.7144 -0.003282655 0.004526729 0.001244074 7.71885 0.001254809 0.020949151 0.02220396 7.7146 0.003482389 0.012836371 7.7191 0.020211429 0.044315716 7.7146 -0.001267662 0.003057886 0.001790224 7.7191 0.001279877 0.022824409 0.024104286 7.7148 0.004067424 0.004821052 7.71935 0.022059132 0.04785319 7.7148 -0.001663605 0.003955552 0.002291948 7.71935 0.001331232 0.024462826 0.025794058 7.715 0.003251119 0.01126132 7.7196 0.024051159 0.051299601 7.715 -0.00656431 0.013984889 0.007420579 7.7196 0.001410995 0.025837448 0.027248442 7.7152 0.003852934 0.009352804 7.71985 0.026193236 0.054705207 7.7152 -0.003831284 0.012820821 0.008989537 7.71985 0.00152349 0.026988482 0.028511972 7.7154 0.004791061 0.001949845 7.7201 0.028481357 0.058111243 7.7154 -0.002888612 0.01048017 0.007591558 7.7201 0.001681434 0.027948452 0.029629886 7.7156 0.004407671 0.01033086 7.72035 0.030900675 0.061523591 7.7156 0.001979157 0.000520575 0.002499732 7.72035 0.001897064 0.028725852 0.030622916 7.7158 0.003985677 0.005979231 7.7206 0.033426031 0.064952091 7.7158 -0.001653759 0.004218701 0.002564942 7.7206 0.002176577 0.029349483 0.03152606 7.716 0.004160356 0.00648667 7.72085 0.036021214 0.068438626 7.716 -0.001641629 0.005909393 0.004267765 7.72085 0.002522716 0.029894696 0.032417412 7.7162 0.005150046 0.00928914 7.7211 0.038641053 0.072027082 7.7162 -0.000932315 0.00918756 0.008255245 7.7211 0.00293171 0.030454319 0.033386029 7.7164 0.004349564 0.015365504 7.72135 0.041244217 0.075721431 7.7164 0.003840204 0.00553456 0.009374764 7.72135 0.00338015 0.031097064 0.034477214 7.7166 0.005157402 0.018168327 7.7216 0.043814028 0.079478446 7.7166 0.003534836 0.005362915 0.008897751 7.7216 0.003818832 0.031845586 0.035664418 7.7168 0.006319962 0.014424694 7.72185 0.046372047 0.083229043 7.7168 0.003505372 0.003384649 0.00689002 7.72185 0.004189154 0.032667842 0.036856996 7.717 0.00615305 0.018913722 7.7221 0.048974562 0.086901019 7.717 0.002265066 0.008031883 0.010296949 7.7221 0.004451456 0.033475001 0.037926457 7.7172 0.005784233 0.020730949 7.72235 0.051696791 0.090425704 7.7172 0.000761582 0.010983344 0.011744926 7.72235 0.004600875 0.034128038 0.038728913 7.7174 0.005401032 0.015837848 7.7226 0.054613607 0.093732309 7.7174 0.000383898 0.014160977 0.014544875 7.7226 0.004662256 0.034456446 0.039118702 7.7176 0.007385236 0.030718975 7.72285 0.057782321 0.096745296 7.7176 -0.000679796 0.016679128 0.015999332 7.72285 0.004674147 0.034288828 0.038962975 7.7178 0.008081893 0.025069974 7.7231 0.061230887 0.09939259 7.7178 0.000285712 0.017670006 0.017955718 7.7231 0.004673138 0.033488565 0.038161703 7.718 0.009840842 0.027462914 7.72335 0.064953064 0.10162034 7.718 -0.001117613 0.019004936 0.017887323 7.72335 0.004683201 0.031984075 0.036667276 7.7182 0.011432749 0.029432839 7.7236 0.06891079 0.103402638 7.7182 0.001929414 0.01230469 0.014234105 7.7236 0.004710193 0.029781655 0.034491848 7.7184 0.012389324 0.036485961 7.72385 0.073043909 0.104736545 7.7184 0.003731606 0.01090418 0.014635786 7.72385 0.004740335 0.026952301 0.031692636 7.7186 0.01370819 0.031091344 7.7241 0.077284652 0.105625055 7.7186 0.005955381 0.010154428 0.016109809 7.7241 0.00474223 0.023598173 0.028340403 7.7188 0.015265048 0.035580473 7.72435 0.0815694 0.106061648 7.7188 0.005416699 0.012581307 0.017998007 7.72435 0.004674065 0.019818183 0.024492248 7.719 0.016750938 0.03214509 7.7246 0.085840217 0.106030058 7.719 0.004327868 0.014429406 0.018757274 7.7246 0.004498699 0.015691142 0.020189841 7.7192 0.018166333 0.048364116 7.72485 0.090036903 0.105522777 7.7192 0.002391904 0.018921308 0.021313212 7.72485 0.004204738 0.011281136 0.015485874 7.7194 0.019582377 0.040213243 7.7251 0.094087813 0.10456695 7.7194 -0.000820802 0.025031986 0.024211183 7.7251 0.003822406 0.006656731 0.010479137 7.7196 0.020770529 0.044358594 7.72535 0.097905432 0.103237969 7.7196 -0.003771585 0.029410114 0.025638529 7.72535 0.00342083 0.001911707 0.005332537 7.7198 0.023477423 0.052670573 7.7256 0.10138628 0.101650224 7.7198 -0.002306806 0.028584333 0.026277527 7.7256 0.003085383 -0.002821439 0.000263944 7.72 0.024181088 0.04782275 7.72585 0.10441398 0.099932343 7.72 -0.001557215 0.029846429 0.028289213 7.72585 0.002888592 -0.007370229 -0.004481637 7.7202 0.025938258 0.05543989 7.7261 0.106868204 0.098202945 7.7202 0.002790117 0.026819709 0.029609826 7.7261 0.002870403 -0.011535662 -0.008665259 7.7204 0.028289044 0.049928575 7.72635 0.108642714 0.096557455 7.7204 0.004339411 0.026915082 0.031254493 7.72635 0.003034113 -0.015119372 -0.012085259 7.7206 0.030647888 0.070941278 7.7266 0.10967031 0.095066663 7.7206 0.005178737 0.030268827 0.035447564 7.7266 0.003354653 -0.0179583 -0.014603647 7.7208 0.033489943 0.060413739 7.72685 0.109946069 0.093781689 7.7208 0.004058356 0.032837847 0.036896203 7.72685 0.003792095 -0.019956475 -0.01616438 7.721 0.034553916 0.078730787 7.7271 0.109538371 0.092739599 7.721 0.009092319 0.032702295 0.041794614 7.7271 0.004304144 -0.021102916 -0.016798772 7.7212 0.037115015 0.073793575 7.72735 0.108581695 0.091966553 7.7212 0.009217983 0.029238302 0.038456285 7.72735 0.004854052 -0.021469194 -0.016615142 7.7214 0.037862775 0.090130183 7.7276 0.107253544 0.09147844 7.7214 0.008768361 0.028454495 0.037222856 7.7276 0.005413328 -0.021188432 -0.015775104 7.7216 0.040917414 0.075979626 7.72785 0.105744466 0.091280802 7.7216 0.004519899 0.030588532 0.035108431 7.72785 0.005961008 -0.020424672 -0.014463664 7.7218 0.044525598 0.084691402 7.7281 0.104231066 0.091369884 7.7218 0.004624567 0.033430813 0.038055379 7.7281 0.006482119 -0.019343301 -0.012861182 7.722 0.046283241 0.080579611 7.72835 0.102858073 0.091735447 7.722 0.007341526 0.032556412 0.039897938 7.72835 0.006967272 -0.018089898 -0.011122626 7.7222 0.049695259 0.090819432 7.7286 0.101730768 0.092364591 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