# Step Nr. Time[fs] Kin.[a.u.] Temp[K] Pot.[a.u.] Cons Qty[a.u.] UsedTime[s] 0 0.000000 1.639776985 400.000000000 -2.429146990 -0.789370005 0.000000000 10 5.000000 1.635779760 399.024934647 -2.426079143 -0.789370015 0.004376358 20 10.000000 1.629400342 397.468767212 -2.416867953 -0.789369992 0.004019689 30 15.000000 1.613215562 393.520723057 -2.401487622 -0.789370286 0.003989497 40 20.000000 1.589807285 387.810610703 -2.379747566 -0.789370494 0.003959977 50 25.000000 1.566600217 382.149580421 -2.351374064 -0.789370712 0.003953264 60 30.000000 1.529032508 372.985478424 -2.316113510 -0.789370970 0.003956618 70 35.000000 1.480392730 361.120504501 -2.273825649 -0.789371253 0.003936779 80 40.000000 1.429055493 348.597524137 -2.224449461 -0.789371388 0.003941997 90 45.000000 1.373234628 334.980827486 -2.167972724 -0.789371436 0.003944776 100 50.000000 1.317990388 321.504789923 -2.104492951 -0.789371253 0.003944292 110 55.000000 1.249085046 304.696323283 -2.034576700 -0.789370816 0.003936261 120 60.000000 1.173364879 286.225478260 -1.959380624 -0.789370042 0.003943825 130 65.000000 1.095551397 267.243999033 -1.880428399 -0.789368906 0.003966075 140 70.000000 1.018942504 248.556361775 -1.799618670 -0.789367478 0.003943648 150 75.000000 0.939179993 229.099445008 -1.719475087 -0.789365816 0.003966485 160 80.000000 0.862085049 210.293242801 -1.642895204 -0.789364100 0.003948641 170 85.000000 0.795559449 194.065279973 -1.572514777 -0.789362609 0.003996270 180 90.000000 0.732314816 178.637661731 -1.510820295 -0.789361486 0.003947127 190 95.000000 0.683127540 166.639133682 -1.459563601 -0.789360904 0.012582717 200 100.000000 0.646696287 157.752253560 -1.419645434 -0.789360873 0.003986391 210 105.000000 0.622515227 151.853632044 -1.391093222 -0.789361289 0.003996810 220 110.000000 0.602900327 147.068859428 -1.373356894 -0.789362050 0.004903831 230 115.000000 0.598537335 146.004570226 -1.365290482 -0.789363001 0.003986106 240 120.000000 0.602074477 146.867405191 -1.365340625 -0.789363957 0.003976832 250 125.000000 0.610536273 148.931538561 -1.371823267 -0.789364982 0.004040001 260 130.000000 0.625073566 152.477701921 -1.383065234 -0.789365933 0.004056388 270 135.000000 0.643143798 156.885674954 -1.397492138 -0.789366741 0.004115667 280 140.000000 0.660627130 161.150482261 -1.413665469 -0.789367380 0.004065073 290 145.000000 0.677807437 165.341370937 -1.430397115 -0.789367882 0.004090296 300 150.000000 0.693452900 169.157856555 -1.446755622 -0.789368250 0.003963358 310 155.000000 0.707716674 172.637299093 -1.462076789 -0.789368452 0.003987213 320 160.000000 0.726316695 177.174506556 -1.475969380 -0.789368484 0.004328983 330 165.000000 0.739897547 180.487359858 -1.488212992 -0.789368368 0.004056959 340 170.000000 0.754320439 184.005616855 -1.498744229 -0.789368257 0.004009330 350 175.000000 0.765647425 186.768672115 -1.507659875 -0.789368072 0.004027213 360 180.000000 0.775921525 189.274890969 -1.515092767 -0.789367902 0.004034159 370 185.000000 0.782716332 190.932386376 -1.521225814 -0.789367792 0.004029738 380 190.000000 0.789204140 192.514993860 -1.526198979 -0.789367689 0.004033502 390 195.000000 0.792502940 193.319688477 -1.530121061 -0.789367586 0.004002693 400 200.000000 0.796577447 194.313605794 -1.533080754 -0.789367564 0.004016684 410 205.000000 0.799224713 194.959368364 -1.535151527 -0.789367529 0.004031699 420 210.000000 0.806617862 196.762820789 -1.536404459 -0.789367549 0.004025295 430 215.000000 0.811567199 197.970140122 -1.536893776 -0.789367516 0.004130446 440 220.000000 0.815209490 198.858624765 -1.536696815 -0.789367418 0.004092581 450 225.000000 0.815662499 198.969129778 -1.535927191 -0.789367357 0.004045760 460 230.000000 0.811850089 198.039147063 -1.534725771 -0.789367326 0.004038338 470 235.000000 0.812635317 198.230692312 -1.533227402 -0.789367255 0.004042700 480 240.000000 0.815237864 198.865546188 -1.531526789 -0.789367293 0.004033846 490 245.000000 0.818946514 199.770217987 -1.529676434 -0.789367248 0.004023775 500 250.000000 0.821209159 200.322157689 -1.527699957 -0.789367299 0.004050966 510 255.000000 0.820317758 200.104713127 -1.525625281 -0.789367260 0.004034270 520 260.000000 0.818817426 199.738728875 -1.523511112 -0.789367153 0.004027612 530 265.000000 0.822476155 200.631223094 -1.521420529 -0.789367162 0.004025365 540 270.000000 0.822928524 200.741571905 -1.519403799 -0.789367079 0.004026753 550 275.000000 0.821689585 200.439350622 -1.517518136 -0.789367032 0.004037002 560 280.000000 0.823390118 200.854171304 -1.515817201 -0.789367026 0.004033347 570 285.000000 0.826176531 201.533876625 -1.514322077 -0.789367044 0.004035515 580 290.000000 0.826495383 201.611655939 -1.513045844 -0.789367045 0.004040422 590 295.000000 0.821418286 200.373171023 -1.512022435 -0.789366993 0.004044366 600 300.000000 0.825366876 201.336372859 -1.511310169 -0.789366961 0.004034317 610 305.000000 0.827117013 201.763293558 -1.510936312 -0.789366906 0.004023657 620 310.000000 0.830624125 202.618803147 -1.510906910 -0.789366915 0.004060894 630 315.000000 0.833837456 203.402648981 -1.511202294 -0.789366975 0.004098973 640 320.000000 0.837389239 204.269055380 -1.511778147 -0.789366989 0.004062122 650 325.000000 0.836245209 203.989985693 -1.512569668 -0.789367030 0.004141677 660 330.000000 0.839542584 204.794332734 -1.513532271 -0.789367116 0.004085781 670 335.000000 0.841446554 205.258778903 -1.514611322 -0.789367123 0.004038968 680 340.000000 0.842401213 205.491654270 -1.515792905 -0.789367083 0.004051611 690 345.000000 0.844252174 205.943169470 -1.517107742 -0.789367029 0.004157532 700 350.000000 0.848200036 206.906193594 -1.518606218 -0.789366983 0.004130900 710 355.000000 0.853990705 208.318744039 -1.520339711 -0.789366941 0.004135554 720 360.000000 0.858078642 209.315937429 -1.522343116 -0.789366925 0.004102240 730 365.000000 0.863424553 210.619995439 -1.524622159 -0.789366951 0.004033204 740 370.000000 0.863742447 210.697541211 -1.527112298 -0.789366988 0.004032211 750 375.000000 0.866784010 211.439486741 -1.529719882 -0.789367056 0.004031672 760 380.000000 0.871783557 212.659054271 -1.532314647 -0.789367160 0.004029476 770 385.000000 0.879200898 214.468407804 -1.534713554 -0.789367261 0.004038113 780 390.000000 0.883095948 215.418549171 -1.536725027 -0.789367304 0.004061696 790 395.000000 0.888774690 216.803796639 -1.538198402 -0.789367368 0.004183523 800 400.000000 0.891149158 217.383013909 -1.539009801 -0.789367383 0.004154500 810 405.000000 0.894382312 218.171695444 -1.539104336 -0.789367313 0.004019504 820 410.000000 0.894184802 218.123515540 -1.538490632 -0.789367248 0.004022549 830 415.000000 0.897072565 218.827943999 -1.537242913 -0.789367064 0.004062536 840 420.000000 0.903898330 220.492990975 -1.535482798 -0.789366925 0.004038663 850 425.000000 0.899229283 219.354044116 -1.533362029 -0.789366770 0.004048792 860 430.000000 0.895396047 218.418981512 -1.531106851 -0.789366650 0.004066139 870 435.000000 0.898995408 219.296993653 -1.528935075 -0.789366528 0.004052551 880 440.000000 0.899186228 219.343541607 -1.527025528 -0.789366462 0.004078684 890 445.000000 0.899653144 219.457439093 -1.525533133 -0.789366355 0.004064985 900 450.000000 0.902904188 220.250484298 -1.524558772 -0.789366283 0.004039381 910 455.000000 0.902829636 220.232298446 -1.524146183 -0.789366261 0.004031858 920 460.000000 0.903337443 220.356170835 -1.524301061 -0.789366316 0.004038130 930 465.000000 0.911518015 222.351703493 -1.524985721 -0.789366386 0.004044624 940 470.000000 0.915206600 223.251480881 -1.526107781 -0.789366452 0.004037457 950 475.000000 0.916589935 223.588925498 -1.527554199 -0.789366542 0.004031524 960 480.000000 0.921298076 224.737408647 -1.529208152 -0.789366623 0.004047265 970 485.000000 0.927132946 226.160741294 -1.530898890 -0.789366696 0.004073816 980 490.000000 0.929542959 226.748629385 -1.532441967 -0.789366810 0.004039418 990 495.000000 0.935468065 228.193973694 -1.533692080 -0.789366865 0.004032474 1000 500.000000 0.939160577 229.094708878 -1.534547002 -0.789366869 0.004027876 1010 505.000000 0.940537508 229.430591297 -1.534991900 -0.789366855 0.004042022 1020 510.000000 0.944692382 230.444113032 -1.535093446 -0.789366763 0.004038992 1030 515.000000 0.951751179 232.166004914 -1.534935300 -0.789366655 0.004020390 1040 520.000000 0.951049578 231.994859415 -1.534595082 -0.789366557 0.004058017 1050 525.000000 0.949069943 231.511956009 -1.534158852 -0.789366554 0.004030670 1060 530.000000 0.947072101 231.024611231 -1.533687225 -0.789366616 0.004032277 1070 535.000000 0.947850943 231.214598644 -1.533177172 -0.789366655 0.004028802 1080 540.000000 0.951121934 232.012509718 -1.532544047 -0.789366715 0.004047377 1090 545.000000 0.951458411 232.094588372 -1.531668008 -0.789366793 0.004042382 1100 550.000000 0.947202028 231.056304997 -1.530441574 -0.789366806 0.004122915 1110 555.000000 0.947243914 231.066522521 -1.528808407 -0.789366835 0.004194239 1120 560.000000 0.942261715 229.851186720 -1.526769941 -0.789366814 0.004113094 1130 565.000000 0.936062403 228.338953775 -1.524421794 -0.789366686 0.004083193 1140 570.000000 0.932017048 227.352147576 -1.521915956 -0.789366570 0.003981607 1150 575.000000 0.928641991 226.528851145 -1.519427996 -0.789366440 0.003957208 1160 580.000000 0.929638993 226.772055297 -1.517154313 -0.789366389 0.004038068 1170 585.000000 0.929279240 226.684298885 -1.515245014 -0.789366350 0.004017737 1180 590.000000 0.927257325 226.191081665 -1.513824675 -0.789366326 0.004039303 1190 595.000000 0.931359657 227.191786663 -1.512960883 -0.789366413 0.003956597 1200 600.000000 0.930413120 226.960892478 -1.512614994 -0.789366468 0.003901065 1210 605.000000 0.931294822 227.175971096 -1.512703592 -0.789366490 0.003830585 1220 610.000000 0.932722363 227.524199096 -1.513113303 -0.789366560 0.004101232 1230 615.000000 0.932915601 227.571336663 -1.513710315 -0.789366602 0.012408041 1240 620.000000 0.936639166 228.479646888 -1.514389167 -0.789366715 0.003952357 1250 625.000000 0.937214346 228.619953679 -1.515054292 -0.789366749 0.003918187 1260 630.000000 0.940071053 229.316806408 -1.515645551 -0.789366749 0.003978921 1270 635.000000 0.942162167 229.826903430 -1.516123951 -0.789366751 0.003912430 1280 640.000000 0.943633263 230.185756144 -1.516462352 -0.789366756 0.004123075 1290 645.000000 0.944711271 230.448720605 -1.516662532 -0.789366725 0.003880163 1300 650.000000 0.947453566 231.117664198 -1.516731419 -0.789366729 0.004079693 1310 655.000000 0.950406961 231.838102340 -1.516687378 -0.789366684 0.004035213 1320 660.000000 0.951085491 232.003620047 -1.516589623 -0.789366638 0.003907345 1330 665.000000 0.951148152 232.018905152 -1.516537504 -0.789366589 0.004000956 1340 670.000000 0.955116905 232.987025429 -1.516654154 -0.789366477 0.003975653 1350 675.000000 0.961154814 234.459886340 -1.517045886 -0.789366423 0.003928405 1360 680.000000 0.965845201 235.604038806 -1.517784964 -0.789366413 0.003886192 1370 685.000000 0.967434120 235.991632724 -1.518887829 -0.789366460 0.003995662 1380 690.000000 0.968356431 236.216617172 -1.520307499 -0.789366514 0.004158763 1390 695.000000 0.974854805 237.801802039 -1.521939286 -0.789366634 0.003923868 1400 700.000000 0.982277000 239.612339682 -1.523590286 -0.789366791 0.004041160 1410 705.000000 0.984449984 240.142407917 -1.525037017 -0.789366872 0.003925087 1420 710.000000 0.987269034 240.830074617 -1.526097603 -0.789366946 0.003913548 1430 715.000000 0.990032475 241.504176238 -1.526637705 -0.789367021 0.003807993 1440 720.000000 0.990920229 241.720731077 -1.526572019 -0.789367002 0.003918208 1450 725.000000 0.988889770 241.225429852 -1.525885489 -0.789367000 0.004088220 1460 730.000000 0.987212037 240.816171074 -1.524638692 -0.789366977 0.004017343 1470 735.000000 0.989603377 241.399504037 -1.522947179 -0.789366839 0.003921323 1480 740.000000 0.986452156 240.630809022 -1.520975635 -0.789366720 0.004082870 1490 745.000000 0.983825009 239.989954296 -1.518926282 -0.789366700 0.003807317 1500 750.000000 0.982305826 239.619371541 -1.516912116 -0.789366717 0.003903931 1510 755.000000 0.985861425 240.486708664 -1.514857849 -0.789366863 0.003962808 1520 760.000000 0.981856152 239.509680011 -1.512550213 -0.789366934 0.003931339 1530 765.000000 0.975288075 237.907492096 -1.509872859 -0.789366965 0.003941045 1540 770.000000 0.971589076 237.005174437 -1.506896500 -0.789366750 0.003878222 1550 775.000000 0.973901755 237.569319320 -1.503841592 -0.789366485 0.004060107 1560 780.000000 0.972600282 237.251843632 -1.500974878 -0.789366224 0.003958517 1570 785.000000 0.974125533 237.623906559 -1.498596584 -0.789366020 0.004092982 1580 790.000000 0.976689636 238.249382678 -1.496941029 -0.789365876 0.003839538 1590 795.000000 0.976320411 238.159315498 -1.496154014 -0.789365792 0.004017436 1600 800.000000 0.976728451 238.258851021 -1.496300214 -0.789365816 0.003807475 1610 805.000000 0.978923369 238.794269676 -1.497332018 -0.789365940 0.003952333 1620 810.000000 0.980473585 239.172422701 -1.499101100 -0.789366092 0.004281024 1630 815.000000 0.981031140 239.308430206 -1.501385077 -0.789366234 0.003916392 1640 820.000000 0.982276007 239.612097546 -1.503926954 -0.789366381 0.003920606 1650 825.000000 0.987122964 240.794442901 -1.506487563 -0.789366577 0.004143526 1660 830.000000 0.995375937 242.807636873 -1.508861531 -0.789366643 0.003947858 1670 835.000000 1.002026917 244.430047882 -1.510885539 -0.789366644 0.003959577 1680 840.000000 1.005417941 245.257239365 -1.512510377 -0.789366689 0.003967547 1690 845.000000 1.009398416 246.228218894 -1.513773704 -0.789366640 0.004272541 1700 850.000000 1.011347208 246.703598657 -1.514787731 -0.789366540 0.003924871 1710 855.000000 1.016353382 247.924782901 -1.515710360 -0.789366500 0.003902649 1720 860.000000 1.015737834 247.774628706 -1.516705518 -0.789366394 0.003965779 1730 865.000000 1.016863227 248.049152141 -1.517957286 -0.789366294 0.004003340 1740 870.000000 1.018735076 248.505762893 -1.519640851 -0.789366264 0.003873277 1750 875.000000 1.024082969 249.810304394 -1.521832045 -0.789366291 0.004001393 1760 880.000000 1.032988474 251.982674247 -1.524451838 -0.789366427 0.004069684 1770 885.000000 1.034993311 252.471725338 -1.527263935 -0.789366633 0.004281362 1780 890.000000 1.035127492 252.504456782 -1.529971461 -0.789366760 0.004060493 1790 895.000000 1.042836459 254.384948274 -1.532339647 -0.789366811 0.003970574 1800 900.000000 1.043035598 254.433525508 -1.534179875 -0.789366854 0.003921079 1810 905.000000 1.048137305 255.678013415 -1.535410213 -0.789366884 0.003956960 1820 910.000000 1.048969116 255.880921758 -1.535981679 -0.789366830 0.003956374 1830 915.000000 1.053084806 256.884885223 -1.535877852 -0.789366803 0.003888018 1840 920.000000 1.056865418 257.807110948 -1.535049466 -0.789366796 0.004034155 1850 925.000000 1.051068566 256.393052389 -1.533455330 -0.789366823 0.003975688 1860 930.000000 1.047041914 255.410808598 -1.531132717 -0.789366764 0.004051770 1870 935.000000 1.051754123 256.560284080 -1.528129631 -0.789366719 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