21 Properties=species:S:1:pos:R:3:forces:R:3 energy=-17617.826906338443 pbc="F F F" C 2.13746084 -1.09794747 -0.19298651 -0.62552556 -0.87749034 1.29330383 C 0.88132331 1.10003051 -1.52512707 2.56502997 -2.89618882 0.15626493 C 2.72852366 -0.64495417 -1.35901235 -2.75213741 1.77337251 0.91530054 C 2.05045871 0.43181448 -1.97927324 -0.39983295 0.02187249 0.05394768 C -3.13430958 1.30858248 0.61286686 0.74066815 0.91375216 0.30934658 C 0.85659345 -0.60175359 0.23576132 0.50360400 -0.90515377 1.85362428 C 0.33428615 0.53085801 -0.36410058 -0.62262973 1.37125950 -1.83421183 O -1.11545171 -1.12233611 1.67749151 3.43236450 -0.44244175 -0.00445356 O -2.23926079 0.60416411 -1.57045411 1.13103516 1.46764799 2.49157100 O 1.12675979 -1.50115125 2.40810773 -0.22333394 0.97935132 -2.74167975 C 0.12721811 -1.13662842 1.50227315 -0.73945742 0.70265314 -0.11306858 C -2.01019625 1.07060160 -0.43521139 -1.99721511 -2.47076763 -1.54832488 O -0.74212037 1.18419089 0.13712028 -1.96925980 0.36955778 0.94815750 H 0.81156629 -1.87947766 3.20391466 -1.33487175 -0.89268829 1.90693294 H 2.63882394 -1.86635266 0.44709135 -0.43649113 0.19418044 -0.41678192 H 0.45412871 1.81052147 -2.19795815 -0.73429340 1.03619931 -0.08380869 H 3.57241406 -1.09521715 -1.77938372 1.82377469 -0.73644141 -0.77213718 H 2.41930137 0.72935978 -2.92649836 0.68609965 0.64808001 -1.45723826 H -4.22328880 1.12828799 0.29903782 1.45438799 0.54640641 -0.12534884 H -2.94435616 0.68785278 1.50734667 0.21953338 -0.66521688 -0.21916839 H -2.90374843 2.29973565 1.10954616 -0.72144940 -0.13794417 -0.61222740 21 Properties=species:S:1:pos:R:3:forces:R:3 energy=-17618.047421677205 pbc="F F F" C 2.01017788 -0.97843255 -0.33918211 -0.80110674 1.06524657 0.74784960 C 1.12901693 1.35446383 -1.43136241 -1.17856753 2.28865096 -0.66767866 C 2.88585291 -0.28190778 -1.16017476 -0.81508028 0.33879416 -1.72381015 C 2.33094812 0.85128818 -1.82127186 1.90980378 -0.90984116 -0.37616135 C -3.10423541 1.43895964 0.37005893 -0.45281451 -0.86114645 2.30516969 C 0.78805605 -0.42171847 0.17591585 0.66858333 0.00849945 -1.08878369 C 0.37840049 0.81720233 -0.40798597 -2.17786074 -1.06636880 1.26753087 O -0.58538704 -0.41823136 2.13243545 -0.47247250 0.21839531 -0.36689088 O -2.11716998 -0.47135863 -0.77573036 -0.30814546 -3.03783153 -1.48923596 O 0.33682466 -2.39180603 1.55232777 0.73387704 0.82152439 -2.10984254 C 0.05200152 -1.04761967 1.30391992 0.49852710 -1.05488378 1.86093671 C -2.09775961 0.56230953 -0.24302773 2.35900605 3.59551701 1.78151812 O -0.88646874 1.37658047 -0.08951713 1.36538865 -0.93736344 -0.70017459 H 0.01493895 -2.68936577 2.41051341 -0.55991520 0.39749869 0.63688105 H 2.19376448 -1.99737924 -0.14011604 0.58047539 -1.61071180 0.92217063 H 0.75237702 2.26277378 -1.95718102 -0.13048267 -0.44736505 0.22552025 H 3.80491628 -0.72216685 -1.59149383 -0.14299299 -0.11206791 0.37601974 H 2.77859645 1.22874169 -2.76524699 0.24490735 0.16553489 0.52940215 H -2.73668392 1.79941086 1.40503254 -0.22786283 0.02165528 -1.60607769 H -3.30127776 2.18580973 -0.37859005 -0.43872589 1.18432762 -0.25263378 H -3.98301721 0.83099475 0.60090396 -0.65454135 -0.06806448 -0.27170957 21 Properties=species:S:1:pos:R:3:forces:R:3 energy=-17618.029314650314 pbc="F F F" C 2.20528156 -0.91373381 -0.10882777 -0.22452441 0.96947617 -1.30731285 C 0.63445531 0.92939613 -1.67627784 -0.05825649 -0.20372921 2.49595329 C 2.65629729 -0.40612368 -1.33565411 -1.09686179 0.40426584 -0.70158942 C 1.88438082 0.54937794 -2.14442482 0.92466635 -1.06103356 0.86526649 C -3.10450491 2.23168937 0.07353293 2.71519028 -1.61972136 0.49051240 C 0.95446855 -0.49708906 0.38163012 -0.39909067 0.67557257 -0.75578033 C 0.21199260 0.46245228 -0.37369035 0.94281233 -0.22085246 -0.00109668 O 1.12744713 -2.23436694 1.95171568 1.32763630 -1.14832779 0.33054595 O -2.38431759 0.23061361 -1.12354646 0.67436847 -0.52889035 0.07403181 O -0.70321183 -1.05716217 2.05603382 -1.75168293 1.10590426 -0.08033071 C 0.49270645 -1.29793141 1.52500407 -0.55134781 -0.51089961 0.85933099 C -2.05096011 1.04016815 -0.28992237 -2.59732911 1.61880934 -0.64086112 O -0.81601307 1.12575811 0.28497930 -0.46982262 0.03799079 -0.33203544 H -0.96048939 -1.78698879 2.67359656 0.63613512 0.26520632 -0.33015622 H 2.80493198 -1.63840179 0.44984928 -0.09967241 -0.19102739 0.05728626 H 0.05483763 1.75702150 -2.07562367 -0.22155771 0.20057097 -0.55652741 H 3.50907729 -0.97226919 -1.68471082 0.95594203 0.44746805 -0.71030505 H 2.25105561 1.07614079 -3.05704986 0.15039166 -0.70831445 0.26376918 H -3.37095956 2.06149045 1.14572643 0.07461571 0.64942578 -0.22206103 H -2.52625547 3.17802289 -0.14506226 -0.81005788 -0.34533479 0.44484069 H -3.97686721 2.04502468 -0.56023930 -0.12155441 0.16344078 -0.24348070 21 Properties=species:S:1:pos:R:3:forces:R:3 energy=-17617.69366459186 pbc="F F F" C 2.24155120 -0.34007953 0.07992599 0.72928839 -2.12065604 1.12539611 C 0.89083425 2.03356452 -0.36203273 0.10745781 -0.61431256 -1.10179425 C 2.93307549 0.84171434 0.10180079 -1.24454258 1.24320540 -0.44161493 C 2.28870788 2.03398631 -0.24118164 -0.11044323 1.49650993 -0.47409780 C -3.41132529 0.25345622 -0.64555668 0.49004780 -0.08388408 2.49897964 C 0.84093089 -0.43482953 -0.13293618 0.81015630 -1.04575600 0.24739459 C 0.18538057 0.79029039 -0.40717657 1.46358966 0.62243705 0.48249858 O -0.95325226 -1.93456514 0.59716728 -1.49348343 0.53061211 -0.45502509 O -2.00361941 0.86815754 1.17925392 0.35176168 -0.75893538 -1.91942964 O 1.03422464 -2.87788727 0.29061143 -0.48904564 0.07490244 -0.72990324 C 0.17590381 -1.77830674 0.20195955 1.30048369 -0.55133835 0.57221094 C -2.08699708 0.58369713 -0.02779536 -1.35655294 1.53481768 3.40795546 O -1.07492945 0.80284787 -0.87851656 -0.57160961 -0.41444828 -1.17558299 H 0.44106912 -3.69038314 0.44128891 0.70698329 1.50713224 -0.02030874 H 2.89181931 -1.23255951 0.37433151 -1.24904114 0.57987776 -0.27556196 H 0.35580398 2.96598036 -0.60179100 -0.13003041 -0.16379837 -0.07069082 H 3.82602689 0.97919509 0.63691522 2.34145898 -0.38991728 0.18207995 H 2.90708414 2.97323444 -0.51286060 -0.92745127 -1.04229375 0.94785066 H -3.38826661 -0.64263063 -1.17792651 0.27642354 -1.89134542 -1.84478884 H -3.99909140 -0.02462449 0.25354586 -0.40542237 0.55224132 -0.24642816 H -3.80619748 1.07445902 -1.20372899 -0.60002854 0.93494969 -0.70913947 21 Properties=species:S:1:pos:R:3:forces:R:3 energy=-17617.908284990663 pbc="F F F" C 1.68529619 -1.46474992 -0.82545234 0.33487040 2.09227254 -0.92981848 C 0.73296790 0.93926139 -1.89074763 -1.02274153 0.03685431 0.35295354 C 2.44573076 -0.72823165 -1.81666454 -1.09387772 -0.46858952 0.86659348 C 1.87231178 0.39248108 -2.45110990 0.72578202 -0.46901416 0.83909408 C -2.50742964 1.86088134 1.23969029 1.27969688 1.23277525 -3.18464354 C 0.49327154 -0.92039348 -0.27694827 0.26970154 -0.28305987 0.09019048 C 0.09225510 0.34392635 -0.79684554 -0.18054248 0.07074198 0.70562821 O -1.54229646 -1.20841086 0.88372633 -2.59182993 0.10756457 0.70640129 O -0.13634954 2.05642484 1.61924144 1.64566334 0.08198208 0.36243654 O 0.18845838 -2.45959386 1.69941207 -1.75518261 0.84345442 -0.70091420 C -0.40675125 -1.54009424 0.79727849 3.37821488 -0.98116030 0.02390926 C -1.03687463 1.71612143 0.91826694 -1.51371437 0.49262374 -0.02944470 O -0.99564892 1.01249983 -0.24830861 0.61632034 -0.37310760 -1.43831313 H -0.61627103 -2.70514107 2.27782762 1.29205216 0.28629468 -0.79485602 H 2.06855210 -2.39199954 -0.46987391 0.48595666 -1.09918442 0.63415527 H 0.25016285 1.85012874 -2.23106722 0.02410462 0.50835453 -0.38752347 H 3.51116674 -0.91360183 -1.99496773 -0.01860071 -0.74377343 -0.32325857 H 2.40944723 0.89173901 -3.25748604 0.11991708 0.22945923 -0.26340825 H -2.68988595 2.68271575 1.85709022 -0.33450283 1.29835512 2.02838872 H -3.04278821 2.08369019 0.28801240 -0.11193611 -0.62310991 0.23963170 H -2.59543558 0.87672131 1.56812286 -1.54935167 -2.23973324 1.20279777 21 Properties=species:S:1:pos:R:3:forces:R:3 energy=-17617.647779641473 pbc="F F F" C 2.02339183 -1.28850390 -0.22763089 -2.18174152 -0.93906412 1.22736323 C 1.01640662 1.20222642 -1.22736480 0.08808927 -2.19322345 1.10217760 C 2.70449742 -0.60518299 -1.18712918 1.87175005 -0.55831494 -1.08867966 C 2.18304256 0.62689815 -1.66014108 0.60678201 -1.57332120 0.50807006 C -3.07468736 1.41779447 0.34496022 -5.23354591 2.49260834 1.18694079 C 0.77636976 -0.76374098 0.24844210 -0.70563438 -0.34367262 0.97065204 C 0.30377736 0.46679098 -0.26467621 -1.38476984 1.29770479 0.96719087 O -1.15454470 -1.46183805 1.73737805 -0.35288720 0.72561721 -0.74677884 O -1.78386971 1.91671305 -1.63778351 -0.99395010 -1.22491852 2.46091357 O 0.85094858 -2.36603180 1.98497499 2.64680811 1.15478862 -2.29248983 C -0.00041356 -1.51734772 1.36009922 0.27119556 -0.29229209 0.32472189 C -1.97145749 1.48586515 -0.48051206 5.67750436 1.53855252 -4.37306862 O -0.85357641 1.06734825 0.31737096 0.39582105 -1.25706262 -0.77222470 H 0.52861849 -2.89418128 2.68112345 -1.70188737 -1.03306143 1.70631019 H 2.25375030 -2.32807174 0.10074249 0.31975276 0.63151582 -0.01803604 H 0.63176692 2.06804668 -1.67905086 -0.70602283 1.57342307 -0.52907953 H 3.65196604 -1.18272122 -1.55380053 -1.32105299 1.55504513 0.07809596 H 2.64557603 1.09045417 -2.46227061 1.53018666 1.22993068 -1.95034326 H -3.99703443 1.98066005 -0.09008466 1.15134159 -1.10257561 0.02509125 H -3.31269018 0.37695390 0.51213507 -0.26952434 -0.74821347 0.87273405 H -2.91362954 2.07632323 1.23199163 0.29178511 -0.93346606 0.34043900 21 Properties=species:S:1:pos:R:3:forces:R:3 energy=-17617.635736390483 pbc="F F F" C 1.61318763 -1.56742985 -0.89466401 -1.89446288 -1.01802623 0.38222114 C 1.01551967 1.19221874 -1.10461517 -2.09338058 -0.16841196 0.77123878 C 2.28088014 -0.74645201 -1.81344261 -1.68211882 0.80554230 1.28258957 C 1.87043010 0.60968469 -1.98164061 2.50983068 0.55986028 0.30509536 C -2.54430440 2.30354962 1.00127839 -0.60321290 -1.80714016 -0.91547820 C 0.43217774 -1.09405421 -0.12762032 1.82857082 1.63873853 -1.82935954 C 0.23418816 0.30109684 -0.31087496 -0.34465453 0.12234780 -0.51599564 O -1.21531485 -1.62242368 1.67171579 0.52385350 0.62923304 -1.87305653 O -0.28718535 2.96133629 0.62865934 -1.04018391 -1.73710281 0.26140937 O 0.04174868 -3.21155141 0.71744210 1.11746760 1.43786036 -2.23384767 C -0.41814412 -1.90381034 0.76259486 0.48738671 -1.58865553 2.42450796 C -1.15391792 2.07312485 0.60671236 2.24785129 1.69010889 -1.14069387 O -0.97450012 0.80471931 0.03077474 -1.31126510 0.75452697 2.00862315 H -0.50941170 -3.70017036 1.29192786 -1.43298956 -1.18437493 1.67701831 H 1.76568599 -2.68533731 -0.86775262 0.38076322 0.94244230 0.20183323 H 0.66242419 2.26112090 -1.04489703 0.75547133 -0.85040987 -0.43762499 H 3.18875770 -1.04702767 -2.25497177 1.25761479 -0.88245488 -1.12354600 H 2.46068173 1.36689324 -2.53275667 0.10866083 -0.63596723 -0.65027506 H -3.14939722 1.89550786 0.15334079 -0.09176251 0.12763815 0.25393090 H -2.72749100 1.57587004 1.82397455 -0.44701878 0.69740418 0.33182266 H -2.71354550 3.37246729 1.06274601 -0.27642117 0.46684076 0.81958706 21 Properties=species:S:1:pos:R:3:forces:R:3 energy=-17617.53793819611 pbc="F F F" C 2.42603015 -0.37562182 -0.09092446 -2.86506895 0.08004228 -0.45882246 C 0.57999760 1.77704637 0.05801693 -0.28603510 -2.31863745 0.05369762 C 2.91411060 0.89671076 0.09113495 -2.23253646 -2.09444641 -0.33212554 C 1.95402602 1.83835043 0.17260949 -0.50515654 4.71837662 1.10372597 C -3.64351459 0.68126717 -0.02338268 1.19663365 -0.07976373 -0.33676813 C 1.01132554 -0.62082228 -0.20582631 0.89423573 -0.10845823 0.78457150 C 0.07899472 0.43810319 -0.00795176 1.14922331 1.64530143 -1.01421380 O -0.31706608 -2.13484871 -1.42020372 -0.57687240 -0.77416059 -0.15439487 O -2.10837891 1.90676427 1.39531102 0.29967907 -0.11402555 -1.01432076 O 1.13623413 -3.00651709 0.11022473 -0.28982095 0.60498887 -0.23769124 C 0.50217284 -1.98219367 -0.54119828 0.82082145 0.69889413 -0.01941184 C -2.31048730 1.13064270 0.49784779 1.37763255 -2.11600851 1.19824023 O -1.21934353 0.18610849 -0.06851401 -3.24307728 0.75436828 0.46333706 H 0.76546047 -3.78086042 -0.34898736 -0.05205689 -0.60662203 -0.04251573 H 3.08320671 -1.18066812 -0.10275164 1.37352460 -2.10381865 -0.11586152 H -0.07350620 2.65172266 0.14357628 0.07660765 -0.00479783 0.12169129 H 3.82593872 0.96641715 0.54218337 3.37689231 0.84074895 0.77632520 H 2.23927123 2.82977088 0.55946331 0.52958943 0.34737779 -0.37883952 H -3.90601909 -0.38402270 0.10272269 0.51925755 -0.15138672 -0.09110230 H -4.36382494 1.26031724 0.50683132 -1.08411004 0.87495945 0.48122840 H -3.60559836 0.94784185 -1.07821441 -0.47936275 -0.09293205 -0.78674959