# Step Nr. Time[fs] Kin.[a.u.] Temp[K] Pot.[a.u.] Cons Qty[a.u.] UsedTime[s] 100010 50005.000000 0.012609083 17.935264943 -0.294881668 -0.282272585 0.000491885 100020 50010.000000 0.012521037 17.810026710 -0.294793621 -0.282272584 0.000474368 100030 50015.000000 0.012433827 17.685978402 -0.294706409 -0.282272583 0.000493432 100040 50020.000000 0.012348635 17.564800543 -0.294621219 -0.282272584 0.000487421 100050 50025.000000 0.012266364 17.447778486 -0.294538948 -0.282272584 0.000489757 100060 50030.000000 0.012188010 17.336326575 -0.294460595 -0.282272585 0.000488234 100070 50035.000000 0.012114387 17.231604460 -0.294386971 -0.282272585 0.000493557 100080 50040.000000 0.012046323 17.134789397 -0.294318910 -0.282272588 0.000488786 100090 50045.000000 0.011984582 17.046969710 -0.294257166 -0.282272584 0.000496320 100100 50050.000000 0.011929765 16.968996894 -0.294202349 -0.282272584 0.000488999 100110 50055.000000 0.011882302 16.901485551 -0.294154886 -0.282272584 0.000504788 100120 50060.000000 0.011842573 16.844974531 -0.294115157 -0.282272584 0.000498484 100130 50065.000000 0.011810822 16.799811662 -0.294083406 -0.282272584 0.000490172 100140 50070.000000 0.011787127 16.766107517 -0.294059711 -0.282272584 0.000493787 100150 50075.000000 0.011771494 16.743870706 -0.294044078 -0.282272584 0.000502569 100160 50080.000000 0.011763752 16.732858920 -0.294036337 -0.282272585 0.000488989 100170 50085.000000 0.011763620 16.732671260 -0.294036205 -0.282272585 0.000490148 100180 50090.000000 0.011770809 16.742896076 -0.294043397 -0.282272588 0.000489465 100190 50095.000000 0.011784864 16.762888017 -0.294057452 -0.282272589 0.000525111 100200 50100.000000 0.011805179 16.791785293 -0.294077769 -0.282272590 0.000494402 100210 50105.000000 0.011831153 16.828730840 -0.294103743 -0.282272590 0.000536615 100220 50110.000000 0.011862091 16.872736346 -0.294134681 -0.282272591 0.000525843 100230 50115.000000 0.011897276 16.922784113 -0.294169865 -0.282272590 0.000494694 100240 50120.000000 0.011936018 16.977891677 -0.294208606 -0.282272588 0.000488629 100250 50125.000000 0.011977514 17.036914928 -0.294250102 -0.282272589 0.000525321 100260 50130.000000 0.012020988 17.098752800 -0.294293577 -0.282272589 0.000530199 100270 50135.000000 0.012065731 17.162395536 -0.294338319 -0.282272588 0.000530183 100280 50140.000000 0.012111084 17.226906922 -0.294383674 -0.282272590 0.000524431 100290 50145.000000 0.012156409 17.291377697 -0.294429000 -0.282272590 0.000524248 100300 50150.000000 0.012201138 17.354999829 -0.294473727 -0.282272589 0.000531223 100310 50155.000000 0.012244733 17.417010553 -0.294517323 -0.282272590 0.000533656 100320 50160.000000 0.012286753 17.476780107 -0.294559345 -0.282272591 0.000525052 100330 50165.000000 0.012326928 17.533925141 -0.294599520 -0.282272591 0.000524464 100340 50170.000000 0.012364935 17.587986273 -0.294637526 -0.282272591 0.000530676 100350 50175.000000 0.012400605 17.638723154 -0.294673195 -0.282272591 0.000534485 100360 50180.000000 0.012433767 17.685893155 -0.294706357 -0.282272591 0.000525534 100370 50185.000000 0.012464346 17.729389737 -0.294736937 -0.282272591 0.000524947 100380 50190.000000 0.012492356 17.769230877 -0.294764946 -0.282272590 0.000530218 100390 50195.000000 0.012517884 17.805542506 -0.294790474 -0.282272590 0.000530521 100400 50200.000000 0.012541033 17.838469704 -0.294813621 -0.282272588 0.000524756 100410 50205.000000 0.012561911 17.868167334 -0.294834500 -0.282272588 0.000526163 100420 50210.000000 0.012580665 17.894843313 -0.294853253 -0.282272587 0.000534153 100430 50215.000000 0.012597508 17.918799713 -0.294870094 -0.282272587 0.000531845 100440 50220.000000 0.012612649 17.940337369 -0.294885236 -0.282272586 0.000525406 100450 50225.000000 0.012626359 17.959838482 -0.294898944 -0.282272585 0.000525103 100460 50230.000000 0.012638920 17.977705154 -0.294911507 -0.282272587 0.000535503 100470 50235.000000 0.012650493 17.994165885 -0.294923078 -0.282272585 0.000534786 100480 50240.000000 0.012661316 18.009561773 -0.294933902 -0.282272586 0.000529798 100490 50245.000000 0.012671637 18.024242463 -0.294944224 -0.282272587 0.000529213 100500 50250.000000 0.012681718 18.038581312 -0.294954304 -0.282272586 0.000535945 100510 50255.000000 0.012691800 18.052922213 -0.294964386 -0.282272586 0.000554657 100520 50260.000000 0.012702132 18.067618022 -0.294974718 -0.282272587 0.000535260 100530 50265.000000 0.012712956 18.083013921 -0.294985543 -0.282272587 0.000536647 100540 50270.000000 0.012724539 18.099490463 -0.294997128 -0.282272588 0.000528745 100550 50275.000000 0.012737041 18.117273018 -0.295009630 -0.282272589 0.000528566 100560 50280.000000 0.012750662 18.136647735 -0.295023250 -0.282272588 0.000537636 100570 50285.000000 0.012765484 18.157730561 -0.295038072 -0.282272588 0.000535593 100580 50290.000000 0.012781574 18.180617323 -0.295054161 -0.282272587 0.000536263 100590 50295.000000 0.012798995 18.205396508 -0.295071583 -0.282272588 0.000529718 100600 50300.000000 0.012817800 18.232145079 -0.295090390 -0.282272590 0.000529939 100610 50305.000000 0.012837816 18.260616262 -0.295110406 -0.282272590 0.000538756 100620 50310.000000 0.012858845 18.290528464 -0.295131435 -0.282272590 0.000536911 100630 50315.000000 0.012880627 18.321510659 -0.295153218 -0.282272592 0.000530402 100640 50320.000000 0.012902883 18.353168494 -0.295175475 -0.282272592 0.000530255 100650 50325.000000 0.012925267 18.385007599 -0.295197859 -0.282272592 0.000537716 100660 50330.000000 0.012947477 18.416599429 -0.295220070 -0.282272593 0.000541008 100670 50335.000000 0.012969176 18.447464533 -0.295241770 -0.282272593 0.000540324 100680 50340.000000 0.012989980 18.477056017 -0.295262574 -0.282272593 0.000532374 100690 50345.000000 0.013009500 18.504820616 -0.295282094 -0.282272595 0.000528864 100700 50350.000000 0.013027465 18.530373960 -0.295300061 -0.282272597 0.000539165 100710 50355.000000 0.013043575 18.553289789 -0.295316172 -0.282272597 0.000534683 100720 50360.000000 0.013057565 18.573189025 -0.295330162 -0.282272597 0.000529738 100730 50365.000000 0.013069246 18.589803961 -0.295341843 -0.282272598 0.000528366 100740 50370.000000 0.013078481 18.602940428 -0.295351080 -0.282272598 0.000529623 100750 50375.000000 0.013085198 18.612494183 -0.295357798 -0.282272600 0.000535495 100760 50380.000000 0.013089460 18.618556493 -0.295362059 -0.282272599 0.000535526 100770 50385.000000 0.013091377 18.621284205 -0.295363977 -0.282272600 0.000528126 100780 50390.000000 0.013091108 18.620900340 -0.295363707 -0.282272599 0.000529985 100790 50395.000000 0.013088809 18.617630454 -0.295361408 -0.282272599 0.000530187 100800 50400.000000 0.013084746 18.611852015 -0.295357347 -0.282272600 0.000537533 100810 50405.000000 0.013079298 18.604102886 -0.295351900 -0.282272602 0.000534964 100820 50410.000000 0.013072786 18.594840109 -0.295345387 -0.282272600 0.000538399 100830 50415.000000 0.013065628 18.584657630 -0.295338225 -0.282272598 0.000529421 100840 50420.000000 0.013058291 18.574221357 -0.295330888 -0.282272598 0.000529418 100850 50425.000000 0.013051198 18.564132914 -0.295323795 -0.282272597 0.000530162 100860 50430.000000 0.013044708 18.554901033 -0.295317304 -0.282272596 0.000533683 100870 50435.000000 0.013039257 18.547148325 -0.295311852 -0.282272594 0.000543865 100880 50440.000000 0.013035282 18.541493771 -0.295307874 -0.282272592 0.000535963 100890 50445.000000 0.013033147 18.538456569 -0.295305738 -0.282272591 0.000530897 100900 50450.000000 0.013033231 18.538576860 -0.295305823 -0.282272591 0.000528092 100910 50455.000000 0.013035849 18.542300257 -0.295308441 -0.282272591 0.000559296 100920 50460.000000 0.013041201 18.549912863 -0.295313791 -0.282272590 0.000534760 100930 50465.000000 0.013049515 18.561738451 -0.295322104 -0.282272589 0.000528977 100940 50470.000000 0.013060931 18.577976624 -0.295333520 -0.282272589 0.000530503 100950 50475.000000 0.013075501 18.598701903 -0.295348090 -0.282272589 0.000529087 100960 50480.000000 0.013093242 18.623936868 -0.295365830 -0.282272588 0.000530875 100970 50485.000000 0.013114206 18.653756302 -0.295386795 -0.282272589 0.000536627 100980 50490.000000 0.013138260 18.687970652 -0.295410849 -0.282272589 0.000554036 100990 50495.000000 0.013165322 18.726463397 -0.295437911 -0.282272589 0.000548705 101000 50500.000000 0.013195325 18.769139826 -0.295467915 -0.282272590 0.000532905 101010 50505.000000 0.013228173 18.815863752 -0.295500764 -0.282272591 0.000532638 101020 50510.000000 0.013263757 18.866478057 -0.295536348 -0.282272591 0.000541451 101030 50515.000000 0.013301977 18.920842933 -0.295574569 -0.282272592 0.000557325 101040 50520.000000 0.013342862 18.978998484 -0.295615454 -0.282272592 0.000547356 101050 50525.000000 0.013386290 19.040769721 -0.295658882 -0.282272592 0.000551651 101060 50530.000000 0.013432279 19.106185321 -0.295704871 -0.282272592 0.000531042 101070 50535.000000 0.013480882 19.175318200 -0.295753474 -0.282272592 0.000535275 101080 50540.000000 0.013532153 19.248246603 -0.295804745 -0.282272592 0.000536263 101090 50545.000000 0.013586199 19.325122837 -0.295858789 -0.282272589 0.000536246 101100 50550.000000 0.013643162 19.406146933 -0.295915749 -0.282272587 0.000539088 101110 50555.000000 0.013703098 19.491400185 -0.295975684 -0.282272587 0.000531305 101120 50560.000000 0.013766087 19.580997367 -0.296038674 -0.282272586 0.000539861 101130 50565.000000 0.013832276 19.675144374 -0.296104866 -0.282272590 0.000531629 101140 50570.000000 0.013901737 19.773946649 -0.296174327 -0.282272590 0.000540048 101150 50575.000000 0.013974409 19.877315963 -0.296246999 -0.282272590 0.000542144 101160 50580.000000 0.014050200 19.985121152 -0.296322790 -0.282272590 0.000541070 101170 50585.000000 0.014128984 20.097184678 -0.296401575 -0.282272591 0.000531443 101180 50590.000000 0.014210488 20.213116189 -0.296483079 -0.282272591 0.000531919 101190 50595.000000 0.014294388 20.332456721 -0.296566981 -0.282272593 0.000674540 101200 50600.000000 0.014380245 20.454580391 -0.296652838 -0.282272593 0.000531688 101210 50605.000000 0.014467456 20.578629982 -0.296740050 -0.282272594 0.000538844 101220 50610.000000 0.014555374 20.703685319 -0.296827969 -0.282272595 0.000543453 101230 50615.000000 0.014643236 20.828660107 -0.296915831 -0.282272595 0.000535459 101240 50620.000000 0.014730144 20.952280116 -0.297002741 -0.282272597 0.000531229 101250 50625.000000 0.014815176 21.073229468 -0.297087777 -0.282272601 0.000535924 101260 50630.000000 0.014897335 21.190092637 -0.297169936 -0.282272602 0.000540229 101270 50635.000000 0.014975521 21.301305321 -0.297248122 -0.282272601 0.000538360 101280 50640.000000 0.015048636 21.405304888 -0.297321237 -0.282272601 0.000543699 101290 50645.000000 0.015115532 21.500457834 -0.297388133 -0.282272602 0.000565688 101300 50650.000000 0.015175145 21.585252101 -0.297447747 -0.282272602 0.000535646 101310 50655.000000 0.015226472 21.658259845 -0.297499075 -0.282272604 0.000549928 101320 50660.000000 0.015268622 21.718214378 -0.297541226 -0.282272604 0.000545179 101330 50665.000000 0.015300764 21.763933769 -0.297573369 -0.282272605 0.000538801 101340 50670.000000 0.015322158 21.794364946 -0.297594759 -0.282272601 0.000538958 101350 50675.000000 0.015332183 21.808625364 -0.297604785 -0.282272602 0.000545342 101360 50680.000000 0.015330434 21.806137576 -0.297603035 -0.282272601 0.000531597 101370 50685.000000 0.015316663 21.786549630 -0.297589264 -0.282272600 0.000532004 101380 50690.000000 0.015290827 21.749799036 -0.297563429 -0.282272603 0.000538760 101390 50695.000000 0.015253087 21.696118301 -0.297525690 -0.282272603 0.000538969 101400 50700.000000 0.015203612 21.625744109 -0.297476213 -0.282272601 0.000537758 101410 50705.000000 0.015142880 21.539358140 -0.297415481 -0.282272602 0.000532443 101420 50710.000000 0.015071698 21.438109265 -0.297344299 -0.282272601 0.000531686 101430 50715.000000 0.014990998 21.323320775 -0.297263599 -0.282272600 0.000533445 101440 50720.000000 0.014901883 21.196562622 -0.297174483 -0.282272600 0.000537517 101450 50725.000000 0.014805691 21.059738702 -0.297078289 -0.282272598 0.000540463 101460 50730.000000 0.014703969 20.915047801 -0.296976564 -0.282272595 0.000531336 101470 50735.000000 0.014598393 20.764875744 -0.296870989 -0.282272596 0.000532432 101480 50740.000000 0.014490719 20.611719350 -0.296763315 -0.282272596 0.000534262 101490 50745.000000 0.014382758 20.458154808 -0.296655354 -0.282272596 0.000541957 101500 50750.000000 0.014276404 20.306875938 -0.296548997 -0.282272593 0.000541270 101510 50755.000000 0.014173331 20.160264093 -0.296445924 -0.282272593 0.000534206 101520 50760.000000 0.014075293 20.020813248 -0.296347883 -0.282272591 0.000533748 101530 50765.000000 0.013983813 19.890691370 -0.296256404 -0.282272592 0.000545182 101540 50770.000000 0.013900160 19.771703112 -0.296172753 -0.282272593 0.000544865 101550 50775.000000 0.013825404 19.665369937 -0.296097996 -0.282272592 0.000540358 101560 50780.000000 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0.013636602 19.396816377 -0.295909208 -0.282272606 0.000532269 101690 50845.000000 0.013652987 19.420122619 -0.295925594 -0.282272607 0.000533725 101700 50850.000000 0.013668372 19.442006063 -0.295940980 -0.282272608 0.000546308 101710 50855.000000 0.013681940 19.461305480 -0.295954549 -0.282272609 0.000539024 101720 50860.000000 0.013692999 19.477035317 -0.295965610 -0.282272612 0.000532880 101730 50865.000000 0.013701113 19.488576580 -0.295973725 -0.282272612 0.000533664 101740 50870.000000 0.013705959 19.495470709 -0.295978570 -0.282272610 0.000534727 101750 50875.000000 0.013707431 19.497563615 -0.295980041 -0.282272610 0.000538487 101760 50880.000000 0.013705553 19.494893105 -0.295978160 -0.282272607 0.000545384 101770 50885.000000 0.013700375 19.487527420 -0.295972982 -0.282272607 0.000539340 101780 50890.000000 0.013692213 19.475917574 -0.295964820 -0.282272607 0.000533292 101790 50895.000000 0.013681518 19.460705058 -0.295954123 -0.282272605 0.000533660 101800 50900.000000 0.013668786 19.442595616 -0.295941390 -0.282272604 0.000546996 101810 50905.000000 0.013654679 19.422529723 -0.295927282 -0.282272603 0.000540931 101820 50910.000000 0.013639966 19.401600883 -0.295912570 -0.282272604 0.000538328 101830 50915.000000 0.013625402 19.380885733 -0.295898007 -0.282272604 0.000532418 101840 50920.000000 0.013611868 19.361634432 -0.295884474 -0.282272606 0.000532928 101850 50925.000000 0.013600091 19.344882968 -0.295872695 -0.282272604 0.000534572 101860 50930.000000 0.013590874 19.331772969 -0.295863480 -0.282272606 0.000543305 101870 50935.000000 0.013584831 19.323176783 -0.295857437 -0.282272606 0.000544919 101880 50940.000000 0.013582570 19.319960663 -0.295855178 -0.282272608 0.000538669 101890 50945.000000 0.013584632 19.322893563 -0.295857240 -0.282272608 0.000532356 101900 50950.000000 0.013591325 19.332413805 -0.295863933 -0.282272608 0.000532497 101910 50955.000000 0.013602922 19.348909991 -0.295875534 -0.282272612 0.000541060 101920 50960.000000 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