# Step Nr. Time[fs] Kin.[a.u.] Temp[K] Pot.[a.u.] Cons Qty[a.u.] UsedTime[s] 0 0.000000 1.247114050 298.000000000 -3.231752583 -1.844543818 0.000000000 100 50.000000 1.387330582 331.504976159 -3.403295141 -1.843661365 0.120000000 200 100.000000 1.247761179 298.154632500 -3.307826782 -1.840466314 0.110000000 300 150.000000 1.338302326 319.789592037 -3.479556661 -1.840479212 0.140000000 400 200.000000 1.419409875 339.170377202 -3.617941417 -1.842064125 0.120000000 500 250.000000 1.347811901 322.061920789 -3.619131669 -1.841447795 0.120000000 600 300.000000 1.285669334 307.212849930 -3.645359990 -1.840829685 0.110000000 700 350.000000 1.183676547 282.841501875 -3.637563453 -1.839689782 0.140000000 800 400.000000 1.192774056 285.015366968 -3.700255711 -1.839592753 0.120000000 900 450.000000 1.228488216 293.549325543 -3.743407578 -1.840003315 0.140000000 1000 500.000000 1.258690518 300.766216628 -3.754825833 -1.839139578 0.120000000 1100 550.000000 1.250362213 298.776154062 -3.703482308 -1.838983496 0.120000000 1200 600.000000 1.309385440 312.879853470 -3.696356829 -1.838492524 0.120000000 1300 650.000000 1.276226836 304.956549189 -3.650398805 -1.838247052 0.120000000 1400 700.000000 1.316615077 314.607387228 -3.700175221 -1.839208411 0.130000000 1500 750.000000 1.254305231 299.718344816 -3.657950539 -1.838713418 0.120000000 1600 800.000000 1.322943544 316.119585135 -3.759042689 -1.838723638 0.140000000 1700 850.000000 1.226452799 293.062959356 -3.714872677 -1.838465154 0.150000000 1800 900.000000 1.224388025 292.569578008 -3.778374141 -1.838677997 0.110000000 1900 950.000000 1.203774866 287.644029088 -3.803777886 -1.839138471 0.110000000 2000 1000.000000 1.242087575 296.798915345 -3.829250969 -1.838979772 0.110000000 2100 1050.000000 1.221364737 291.847158362 -3.775648614 -1.838974479 0.150000000 2200 1100.000000 1.242596601 296.920548086 -3.791377544 -1.838844073 0.150000000 2300 1150.000000 1.291554696 308.619167153 -3.806105028 -1.838339019 0.130000000 2400 1200.000000 1.263663357 301.954484709 -3.775527103 -1.837959285 0.120000000 2500 1250.000000 1.217409016 290.901932234 -3.739190339 -1.837882184 0.120000000 2600 1300.000000 1.255915327 300.103079857 -3.778176644 -1.837752009 0.110000000 2700 1350.000000 1.247093436 297.995074257 -3.792613799 -1.838062932 0.140000000 2800 1400.000000 1.245631649 297.645777824 -3.805629650 -1.837987031 0.120000000 2900 1450.000000 1.253754108 299.586652951 -3.810877697 -1.838213640 0.120000000 3000 1500.000000 1.216064990 290.580774888 -3.775857992 -1.837500571 0.150000000 3100 1550.000000 1.212220465 289.662119110 -3.784748728 -1.837580305 0.120000000 3200 1600.000000 1.239692264 296.226551755 -3.832600376 -1.837858282 0.120000000 3300 1650.000000 1.226548143 293.085741937 -3.839797647 -1.837971434 0.110000000 3400 1700.000000 1.271601498 303.851316995 -3.845750367 -1.837684678 0.130000000 3500 1750.000000 1.248392288 298.305437034 -3.798792156 -1.837129057 0.120000000 3600 1800.000000 1.255253440 299.944920843 -3.797669364 -1.837453447 0.120000000 3700 1850.000000 1.244593325 297.397668437 -3.790272787 -1.837420533 0.130000000 3800 1900.000000 1.239556830 296.194189571 -3.769631162 -1.836804566 0.110000000 3900 1950.000000 1.214091005 290.109087799 -3.743190888 -1.836991652 0.120000000 4000 2000.000000 1.246249637 297.793446969 -3.799072836 -1.837187233 0.110000000 4100 2050.000000 1.262687536 301.721310777 -3.830176802 -1.837660069 0.120000000 4200 2100.000000 1.222835192 292.198526038 -3.780821543 -1.837456097 0.140000000 4300 2150.000000 1.303072833 311.371445368 -3.845258253 -1.837112822 0.120000000 4400 2200.000000 1.214261434 290.149812120 -3.745561316 -1.836653033 0.140000000 4500 2250.000000 1.234741188 295.043483861 -3.770528252 -1.836034782 0.130000000 4600 2300.000000 1.282880980 306.546568133 -3.830608761 -1.836440198 0.110000000 4700 2350.000000 1.274422591 304.525421733 -3.786500090 -1.835821671 0.120000000 4800 2400.000000 1.304087732 311.613957098 -3.791293190 -1.835809506 0.120000000 4900 2450.000000 1.270323865 303.546024404 -3.771339176 -1.835255077 0.130000000 5000 2500.000000 1.212481236 289.724430869 -3.779869706 -1.835247585 0.140000000 5100 2550.000000 1.215198144 290.373640692 -3.845432998 -1.836447457 0.130000000 5200 2600.000000 1.187862388 283.841715604 -3.826997463 -1.836090933 0.110000000 5300 2650.000000 1.182088056 282.461929344 -3.820671493 -1.836708511 0.120000000 5400 2700.000000 1.200141364 286.775797670 -3.825396219 -1.837131991 0.120000000 5500 2750.000000 1.253663489 299.564999606 -3.818642330 -1.836433311 0.130000000 5600 2800.000000 1.282404841 306.432793920 -3.813325794 -1.836532965 0.110000000 5700 2850.000000 1.256885254 300.334845666 -3.769608358 -1.836069432 0.110000000 5800 2900.000000 1.266464118 302.623731268 -3.748632860 -1.836300257 0.150000000 5900 2950.000000 1.255246506 299.943264141 -3.702885739 -1.835806297 0.120000000 6000 3000.000000 1.283908564 306.792111023 -3.731659000 -1.834800094 0.120000000 6100 3050.000000 1.272776128 304.131996694 -3.750194910 -1.835159344 0.120000000 6200 3100.000000 1.283354382 306.659688377 -3.763389851 -1.834815430 0.120000000 6300 3150.000000 1.330780043 317.992129698 -3.821073136 -1.834313205 0.130000000 6400 3200.000000 1.268832464 303.189651537 -3.774909989 -1.834270887 0.140000000 6500 3250.000000 1.238235849 295.878538921 -3.798614283 -1.833815789 0.120000000 6600 3300.000000 1.220090104 291.542582645 -3.824731401 -1.834598212 0.110000000 6700 3350.000000 1.226784383 293.142191982 -3.844787782 -1.834345311 0.130000000 6800 3400.000000 1.244300369 297.327666195 -3.868604414 -1.834291209 0.120000000 6900 3450.000000 1.244624103 297.405022956 -3.849528134 -1.833892665 0.120000000 7000 3500.000000 1.287053855 307.543683518 -3.872487952 -1.833679054 0.130000000 7100 3550.000000 1.254711494 299.815422053 -3.825173525 -1.833295886 0.120000000 7200 3600.000000 1.283797405 306.765549365 -3.829062389 -1.833006379 0.150000000 7300 3650.000000 1.251129445 298.959485379 -3.805598661 -1.833194197 0.130000000 7400 3700.000000 1.242894666 296.991771187 -3.823979243 -1.833337303 0.120000000 7500 3750.000000 1.247373077 298.061894862 -3.852695771 -1.833486532 0.110000000 7600 3800.000000 1.231050808 294.161661260 -3.859449784 -1.833756103 0.110000000 7700 3850.000000 1.239963222 296.291297622 -3.886309106 -1.833467193 0.130000000 7800 3900.000000 1.229046298 293.682680209 -3.869204844 -1.834136153 0.120000000 7900 3950.000000 1.233929988 294.849646297 -3.866471629 -1.833628840 0.110000000 8000 4000.000000 1.217012067 290.807080655 -3.852077664 -1.832441485 0.120000000 8100 4050.000000 1.258555983 300.734069270 -3.870637304 -1.832536096 0.120000000 8200 4100.000000 1.223972017 292.470172270 -3.824945848 -1.832139118 0.140000000 8300 4150.000000 1.220311941 291.595590914 -3.786087486 -1.831813692 0.120000000 8400 4200.000000 1.281300564 306.168925088 -3.816219097 -1.831724018 0.120000000 8500 4250.000000 1.305813646 312.026367295 -3.827067636 -1.831954177 0.120000000 8600 4300.000000 1.288953192 307.997533444 -3.838443154 -1.832379584 0.120000000 8700 4350.000000 1.245990304 297.731479108 -3.823536923 -1.832117126 0.140000000 8800 4400.000000 1.242872893 296.986568313 -3.831370705 -1.832382288 0.120000000 8900 4450.000000 1.264093867 302.057355757 -3.843089013 -1.832420082 0.120000000 9000 4500.000000 1.257194658 300.408778301 -3.848110058 -1.832844573 0.110000000 9100 4550.000000 1.260693901 301.244928246 -3.899955104 -1.832538639 0.140000000 9200 4600.000000 1.240409720 296.397988983 -3.925230055 -1.832828959 0.120000000 9300 4650.000000 1.209115629 288.920213348 -3.916534753 -1.833626396 0.120000000 9400 4700.000000 1.192130898 284.861683433 -3.900792112 -1.833078748 0.120000000 9500 4750.000000 1.233254009 294.688119856 -3.906209089 -1.832777130 0.120000000 9600 4800.000000 1.246069142 297.750317387 -3.856291075 -1.832205387 0.120000000 9700 4850.000000 1.274113500 304.451564050 -3.840619076 -1.831945366 0.110000000 9800 4900.000000 1.313318017 313.819549194 -3.875291480 -1.831635477 0.140000000 9900 4950.000000 1.247310776 298.047007944 -3.844877025 -1.831716337 0.120000000 10000 5000.000000 1.228308582 293.506401845 -3.869723488 -1.831821602 0.120000000 10100 5050.000000 1.197638937 286.177838594 -3.860875168 -1.831946259 0.130000000 10200 5100.000000 1.222450317 292.106559534 -3.895027544 -1.832222980 0.150000000 10300 5150.000000 1.262338432 301.637891698 -3.937933043 -1.832045552 0.140000000 10400 5200.000000 1.292758530 308.906825369 -3.947484284 -1.831521619 0.120000000 10500 5250.000000 1.255807983 300.077429858 -3.899171014 -1.831096443 0.110000000 10600 5300.000000 1.278807688 305.573248217 -3.926857467 -1.831663047 0.120000000 10700 5350.000000 1.281677602 306.259019017 -3.934079602 -1.832173456 0.160000000 10800 5400.000000 1.198733027 286.439273081 -3.851738902 -1.832460941 0.120000000 10900 5450.000000 1.243798738 297.207800734 -3.880440019 -1.832167707 0.110000000 11000 5500.000000 1.281143832 306.131473697 -3.916975906 -1.832822834 0.110000000 11100 5550.000000 1.285940709 307.277695503 -3.913753366 -1.832760221 0.110000000 11200 5600.000000 1.296362646 309.768034969 -3.935891771 -1.832859989 0.110000000 11300 5650.000000 1.228170772 293.473471970 -3.881835079 -1.832721713 0.120000000 11400 5700.000000 1.251584769 299.068285874 -3.910339741 -1.832589756 0.120000000 11500 5750.000000 1.238061898 295.836973175 -3.899556940 -1.832361748 0.120000000 11600 5800.000000 1.214431319 290.190406592 -3.864983800 -1.831521334 0.150000000 11700 5850.000000 1.316723687 314.633339924 -3.951926268 -1.831080076 0.130000000 11800 5900.000000 1.220400125 291.616662681 -3.857884745 -1.830646589 0.120000000 11900 5950.000000 1.245412571 297.593428813 -3.907036734 -1.831212703 0.120000000 12000 6000.000000 1.271003517 303.708428468 -3.962283425 -1.831835564 0.120000000 12100 6050.000000 1.179298379 281.795331475 -3.933244072 -1.831174922 0.120000000 12200 6100.000000 1.144382329 273.452082602 -3.951940300 -1.830984152 0.120000000 12300 6150.000000 1.172023471 280.056979797 -3.980476657 -1.831894180 0.110000000 12400 6200.000000 1.265774049 302.458838079 -4.031346044 -1.832492430 0.120000000 12500 6250.000000 1.245415034 297.594017343 -3.957612936 -1.832683678 0.130000000 12600 6300.000000 1.336583303 319.378828535 -3.984256708 -1.832123396 0.110000000 12700 6350.000000 1.277210948 305.191704437 -3.886977964 -1.832305055 0.110000000 12800 6400.000000 1.311265658 313.329134698 -3.915206496 -1.831858055 0.160000000 12900 6450.000000 1.258241983 300.659038353 -3.872842353 -1.831517781 0.120000000 13000 6500.000000 1.266294631 302.583232079 -3.923041957 -1.831542054 0.110000000 13100 6550.000000 1.233093635 294.649798362 -3.959237704 -1.831885050 0.110000000 13200 6600.000000 1.191877823 284.801210785 -3.951939600 -1.832310282 0.120000000 13300 6650.000000 1.247045224 297.983553967 -4.028985438 -1.831907998 0.110000000 13400 6700.000000 1.185491748 283.275247322 -3.952472334 -1.831158093 0.110000000 13500 6750.000000 1.268014328 302.994156593 -4.000398222 -1.831662853 0.120000000 13600 6800.000000 1.270438422 303.573397878 -3.935057964 -1.831749909 0.170000000 13700 6850.000000 1.260550755 301.210723300 -3.849514416 -1.830695054 0.120000000 13800 6900.000000 1.285664155 307.211612402 -3.825306213 -1.830238102 0.140000000 13900 6950.000000 1.301954627 311.104248134 -3.835742442 -1.829742628 0.120000000 14000 7000.000000 1.293668003 309.124145409 -3.862855604 -1.829977572 0.110000000 14100 7050.000000 1.260004715 301.080246152 -3.893196187 -1.830520410 0.130000000 14200 7100.000000 1.198636392 286.416182074 -3.873248597 -1.830624860 0.120000000 14300 7150.000000 1.228761146 293.614542709 -3.911325579 -1.830015904 0.120000000 14400 7200.000000 1.265870957 302.481994622 -3.902175357 -1.829335807 0.130000000 14500 7250.000000 1.270543904 303.598603092 -3.875542689 -1.829378414 0.120000000 14600 7300.000000 1.302391011 311.208522912 -3.895244438 -1.830354787 0.120000000 14700 7350.000000 1.245521150 297.619373921 -3.838278423 -1.830116614 0.120000000 14800 7400.000000 1.291212671 308.537439743 -3.862261388 -1.829133373 0.120000000 14900 7450.000000 1.303711118 311.523964714 -3.849502708 -1.829485746 0.140000000 15000 7500.000000 1.300297495 310.708273751 -3.859368182 -1.829576748 0.130000000 15100 7550.000000 1.244188339 297.300896439 -3.857380520 -1.829445675 0.130000000 15200 7600.000000 1.242188871 296.823120111 -3.916287948 -1.829497459 0.110000000 15300 7650.000000 1.202452955 287.328156324 -3.903978952 -1.829576216 0.110000000 15400 7700.000000 1.258523532 300.726314914 -3.954878134 -1.829480558 0.110000000 15500 7750.000000 1.238032199 295.829876513 -3.945078154 -1.829102516 0.120000000 15600 7800.000000 1.211469033 289.482563368 -3.959039585 -1.829314969 0.130000000 15700 7850.000000 1.216356484 290.650427959 -3.974430190 -1.828933005 0.110000000 15800 7900.000000 1.220094279 291.543580259 -3.959680785 -1.828104865 0.130000000 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