402 lines
41 KiB
Plaintext
402 lines
41 KiB
Plaintext
## Time[ps] Epot[eV] Etot[eV] Ekin[eV] <Edelta> <Etot> <T[K]>
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5.0000 -49.48877 -48.65794 0.83083 1.73686 -48.72964 410.98191
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10.0000 -49.65126 -47.85092 1.80034 1.77977 -48.40298 473.87982
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15.0000 -49.68256 -48.17901 1.50356 1.81750 -48.11579 519.52589
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20.0000 -49.77281 -48.31446 1.45835 1.77034 -48.47473 459.47838
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25.0000 -48.97829 -47.50229 1.47600 1.81569 -48.12958 503.55216
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30.0000 -49.23371 -47.84094 1.39277 1.84940 -47.87296 501.42609
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35.0000 -49.18415 -47.93800 1.24616 1.83184 -48.00664 497.15068
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40.0000 -49.49217 -48.19006 1.30212 1.80477 -48.21267 490.07056
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45.0000 -49.68116 -48.32547 1.35569 1.78634 -48.35297 447.09933
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50.0000 -49.57242 -48.26320 1.30922 1.80297 -48.22637 465.96352
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55.0000 -49.29788 -47.75162 1.54626 1.83722 -47.96570 530.86834
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60.0000 -49.52563 -48.42732 1.09831 1.84093 -47.93743 496.45394
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65.0000 -49.81072 -48.42479 1.38593 1.79045 -48.32168 474.44360
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70.0000 -49.68970 -48.50030 1.18940 1.77049 -48.47363 454.43404
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75.0000 -49.92732 -48.98363 0.94370 1.74786 -48.64586 415.56362
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80.0000 -49.66838 -48.52690 1.14148 1.75861 -48.56405 451.93583
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85.0000 -49.97564 -48.80455 1.17109 1.72534 -48.81733 394.75874
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90.0000 -49.82174 -48.86096 0.96078 1.71020 -48.93254 382.12080
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95.0000 -49.75889 -48.82713 0.93176 1.72246 -48.83924 393.50902
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100.0000 -49.28907 -48.29446 0.99461 1.77703 -48.42384 451.51998
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105.0000 -49.65848 -48.27782 1.38066 1.80080 -48.24289 463.26536
|
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110.0000 -49.64172 -48.36456 1.27717 1.82731 -48.04112 536.03888
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115.0000 -49.90235 -48.65272 1.24963 1.74170 -48.69277 431.21334
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120.0000 -50.06689 -48.98257 1.08432 1.73555 -48.73956 405.42180
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125.0000 -49.87190 -48.99973 0.87218 1.68718 -49.10778 334.82292
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|
130.0000 -49.75500 -48.75912 0.99588 1.73478 -48.74546 399.37528
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|
135.0000 -49.27444 -47.95150 1.32295 1.79728 -48.26969 467.32864
|
|
140.0000 -49.90164 -48.71190 1.18974 1.76527 -48.51337 450.99816
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|
145.0000 -49.93903 -48.91033 1.02870 1.72153 -48.84632 391.69046
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150.0000 -50.17039 -48.72589 1.44451 1.70254 -48.99080 388.68588
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155.0000 -49.80132 -48.79861 1.00271 1.69523 -49.04647 362.49293
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160.0000 -49.62132 -48.70306 0.91826 1.73201 -48.76654 404.56995
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|
165.0000 -49.97919 -48.82805 1.15114 1.72024 -48.85609 370.92983
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170.0000 -49.80397 -48.84674 0.95723 1.70592 -48.96508 364.08492
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175.0000 -49.09909 -47.91743 1.18166 1.78972 -48.32725 463.43460
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180.0000 -49.81995 -48.55078 1.26918 1.79991 -48.24971 500.23768
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185.0000 -49.92140 -48.64243 1.27897 1.75160 -48.61744 436.52030
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190.0000 -49.25962 -47.76956 1.49006 1.79207 -48.30936 501.86555
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195.0000 -49.97430 -48.48570 1.48860 1.81135 -48.16259 507.62166
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200.0000 -49.72742 -48.39713 1.33029 1.78622 -48.35388 463.63332
|
|
205.0000 -49.88829 -48.63271 1.25558 1.79788 -48.26515 478.54897
|
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210.0000 -49.74991 -48.31614 1.43377 1.75659 -48.57941 442.93475
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215.0000 -49.42772 -48.36950 1.05822 1.77467 -48.44178 458.81316
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220.0000 -49.43123 -48.27882 1.15241 1.79147 -48.31392 473.12932
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225.0000 -49.27422 -47.97500 1.29922 1.81720 -48.11809 525.82918
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230.0000 -49.58280 -48.24026 1.34254 1.80725 -48.19381 481.76818
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235.0000 -50.11402 -48.92833 1.18569 1.76093 -48.54637 441.97927
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240.0000 -50.01569 -48.80803 1.20766 1.73948 -48.70970 416.67308
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245.0000 -49.68904 -48.45782 1.23122 1.73049 -48.77809 402.30247
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250.0000 -50.21314 -48.76953 1.44361 1.74978 -48.63125 410.90008
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255.0000 -49.38748 -48.14728 1.24019 1.80234 -48.23122 487.11236
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260.0000 -49.01845 -47.60573 1.41271 1.80569 -48.20571 484.46364
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265.0000 -49.48280 -47.80683 1.67596 1.88080 -47.63400 580.25410
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270.0000 -49.29607 -47.78182 1.51425 1.85322 -47.84393 572.85526
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275.0000 -49.40987 -47.77186 1.63801 1.86502 -47.75406 560.21842
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280.0000 -48.99828 -47.22317 1.77511 1.89162 -47.55161 610.65584
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285.0000 -49.43484 -47.99919 1.43566 1.89843 -47.49976 613.27434
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290.0000 -49.65995 -48.49067 1.16929 1.81232 -48.15521 520.28894
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295.0000 -48.98370 -47.57734 1.40637 1.79769 -48.26659 464.65773
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300.0000 -49.50867 -47.96328 1.54538 1.88685 -47.58793 587.98696
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|
305.0000 -49.55887 -48.21573 1.34314 1.85165 -47.85586 547.36565
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310.0000 -49.45344 -48.52406 0.92938 1.81512 -48.13389 480.21438
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315.0000 -49.59533 -48.20691 1.38841 1.80160 -48.23682 483.00109
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320.0000 -49.76146 -48.50136 1.26010 1.77413 -48.44593 448.92066
|
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325.0000 -48.96195 -47.77717 1.18478 1.83544 -47.97928 506.89772
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330.0000 -49.01391 -47.70216 1.31175 1.87828 -47.65314 538.14457
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335.0000 -49.42978 -48.37803 1.05175 1.83307 -47.99725 540.13803
|
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340.0000 -49.53639 -48.44306 1.09332 1.77036 -48.47461 456.96258
|
|
345.0000 -49.31465 -47.96163 1.35302 1.77861 -48.41180 481.61561
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350.0000 -49.60964 -47.95782 1.65182 1.84581 -47.90031 524.70702
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355.0000 -49.30593 -48.07926 1.22667 1.85506 -47.82990 543.43580
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360.0000 -49.36290 -47.81251 1.55039 1.83200 -48.00543 525.98896
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365.0000 -49.04748 -47.73024 1.31723 1.86102 -47.78451 528.81659
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370.0000 -49.15851 -47.87454 1.28397 1.87835 -47.65265 596.89320
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375.0000 -49.42202 -47.29689 2.12513 1.88153 -47.62840 559.63356
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380.0000 -49.32614 -47.91603 1.41010 1.89121 -47.55476 596.08218
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|
385.0000 -49.51615 -47.69857 1.81758 1.83849 -47.95603 537.18640
|
|
390.0000 -48.66755 -47.44492 1.22264 1.85056 -47.86420 541.69905
|
|
395.0000 -48.96163 -47.42390 1.53773 1.90457 -47.45302 589.10867
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400.0000 -49.91616 -48.07960 1.83656 1.87369 -47.68814 586.65339
|
|
405.0000 -49.56296 -48.26475 1.29821 1.78510 -48.36241 496.14359
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410.0000 -49.80262 -48.23383 1.56879 1.81296 -48.15034 507.92816
|
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415.0000 -49.39978 -48.20642 1.19336 1.82684 -48.04474 506.31131
|
|
420.0000 -49.66997 -48.21144 1.45853 1.82795 -48.03628 522.92302
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425.0000 -49.54993 -47.94208 1.60786 1.85551 -47.82650 567.09361
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430.0000 -49.12572 -47.71995 1.40577 1.85897 -47.80019 529.46732
|
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435.0000 -49.59050 -47.41517 2.17533 1.88284 -47.61848 560.21227
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440.0000 -49.28450 -47.61974 1.66476 1.92913 -47.26614 626.13462
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|
445.0000 -49.04918 -47.43684 1.61234 1.89482 -47.52729 660.41382
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|
450.0000 -49.64163 -48.74503 0.89660 1.81150 -48.16145 518.90565
|
|
455.0000 -49.59605 -48.49048 1.10558 1.72365 -48.83012 387.04839
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460.0000 -49.61742 -48.02084 1.59659 1.78990 -48.32587 480.17945
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465.0000 -49.40228 -47.83677 1.56551 1.83724 -47.96553 549.11452
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470.0000 -48.93443 -47.95948 0.97495 1.85160 -47.85623 548.45409
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|
475.0000 -49.45740 -47.98629 1.47111 1.82043 -48.09353 495.68534
|
|
480.0000 -48.93181 -47.48496 1.44685 1.86126 -47.78275 564.44046
|
|
485.0000 -49.69244 -48.07434 1.61810 1.84244 -47.92598 538.52329
|
|
490.0000 -49.70186 -48.48659 1.21526 1.78677 -48.34974 448.23181
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|
495.0000 -49.45834 -48.00256 1.45578 1.80121 -48.23980 486.27331
|
|
500.0000 -49.62977 -48.18830 1.44147 1.83218 -48.00410 530.62485
|
|
505.0000 -48.99284 -47.40221 1.59063 1.83019 -48.01922 525.21381
|
|
510.0000 -48.95267 -47.40576 1.54690 1.90519 -47.44834 647.47901
|
|
515.0000 -48.87585 -47.46801 1.40783 1.95321 -47.08282 688.72072
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|
520.0000 -49.28079 -47.47053 1.81025 1.89424 -47.53171 583.16561
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|
525.0000 -48.38804 -46.60203 1.78602 1.98695 -46.82599 689.12007
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|
530.0000 -48.66793 -46.87325 1.79468 2.00716 -46.67219 665.36236
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535.0000 -48.78989 -47.24913 1.54076 1.90464 -47.45255 610.98839
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|
540.0000 -48.60249 -46.90197 1.70052 1.96105 -47.02314 679.95660
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|
545.0000 -48.04022 -46.18456 1.85566 2.02621 -46.52715 712.71903
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|
550.0000 -48.11163 -46.67796 1.43367 2.02136 -46.56412 696.99080
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|
555.0000 -48.90947 -47.52744 1.38203 1.97978 -46.88058 643.82296
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|
560.0000 -48.50279 -46.86451 1.63827 1.96131 -47.02121 624.58530
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565.0000 -48.66867 -46.92129 1.74738 1.93622 -47.21215 569.17405
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570.0000 -48.82300 -46.91349 1.90951 1.95492 -47.06983 626.62168
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|
575.0000 -49.07753 -47.39182 1.68571 1.98427 -46.84643 694.92945
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|
580.0000 -49.25252 -47.65258 1.59994 1.88243 -47.62159 590.81114
|
|
585.0000 -49.67536 -48.10373 1.57163 1.86696 -47.73931 562.19589
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|
590.0000 -49.15812 -47.48896 1.66916 1.85430 -47.83569 557.83469
|
|
595.0000 -49.31815 -47.88367 1.43448 1.84379 -47.91566 555.87557
|
|
600.0000 -49.02237 -47.51683 1.50554 1.92219 -47.31894 680.30684
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|
605.0000 -49.12415 -47.75786 1.36629 1.85980 -47.79386 552.03869
|
|
610.0000 -48.01706 -46.35761 1.65944 1.97760 -46.89720 678.29272
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|
615.0000 -48.41243 -45.99949 2.41294 2.05053 -46.34203 756.38319
|
|
620.0000 -48.49686 -47.03273 1.46413 2.02602 -46.52859 736.15595
|
|
625.0000 -48.77751 -46.89497 1.88254 1.98795 -46.81842 702.47495
|
|
630.0000 -48.63773 -46.83355 1.80418 1.99106 -46.79475 744.14268
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|
635.0000 -49.53080 -47.53402 1.99679 1.92034 -47.33299 653.57893
|
|
640.0000 -49.40916 -47.86470 1.54445 1.90784 -47.42820 607.26750
|
|
645.0000 -49.21814 -47.65164 1.56650 1.83384 -47.99141 529.49705
|
|
650.0000 -49.22566 -47.85215 1.37351 1.89285 -47.54224 614.68687
|
|
655.0000 -48.43320 -46.43943 1.99378 1.92330 -47.31050 645.97764
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|
660.0000 -49.46962 -47.22753 2.24209 1.98302 -46.85594 692.88618
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|
665.0000 -48.01203 -46.33302 1.67902 2.00409 -46.69558 726.34998
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670.0000 -48.51078 -46.57260 1.93817 2.01446 -46.61661 724.01157
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|
675.0000 -49.01996 -46.67574 2.34422 1.96433 -46.99819 635.15076
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|
680.0000 -47.78704 -45.89646 1.89058 2.03440 -46.46481 679.63680
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|
685.0000 -48.29653 -46.26995 2.02658 2.08130 -46.10781 746.76086
|
|
690.0000 -48.32425 -46.73893 1.58532 2.02975 -46.50021 680.72760
|
|
695.0000 -48.59180 -46.80902 1.78279 1.97232 -46.93740 645.58480
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|
700.0000 -49.01491 -47.10316 1.91175 1.94426 -47.15095 617.38940
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|
705.0000 -48.67001 -46.44673 2.22328 2.01277 -46.62947 733.18097
|
|
710.0000 -49.11819 -47.33865 1.77954 1.94347 -47.15700 701.35136
|
|
715.0000 -49.16443 -47.70144 1.46299 1.95363 -47.07960 640.58312
|
|
720.0000 -49.24777 -48.00748 1.24028 1.86142 -47.78146 564.53193
|
|
725.0000 -48.88465 -47.39839 1.48626 1.86488 -47.75515 568.48225
|
|
730.0000 -48.45008 -46.37420 2.07588 1.96563 -46.98826 670.10090
|
|
735.0000 -48.77764 -46.05428 2.72336 2.01718 -46.59591 702.56452
|
|
740.0000 -49.13367 -46.96279 2.17088 2.03787 -46.43843 749.78577
|
|
745.0000 -48.56721 -47.17835 1.38886 2.00157 -46.71476 686.42606
|
|
750.0000 -47.91762 -46.34437 1.57326 2.00116 -46.71785 680.34629
|
|
755.0000 -48.82049 -47.20485 1.61564 2.02868 -46.50835 721.09861
|
|
760.0000 -48.21928 -46.06575 2.15353 2.00983 -46.65188 700.55132
|
|
765.0000 -49.27159 -46.46970 2.80189 2.00062 -46.72197 733.93855
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|
770.0000 -48.58992 -46.31897 2.27095 2.04845 -46.35791 776.72201
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|
775.0000 -48.26667 -46.17370 2.09297 2.09758 -45.98393 754.22760
|
|
780.0000 -49.35753 -47.22763 2.12990 1.99921 -46.73271 732.29368
|
|
785.0000 -49.09613 -46.80594 2.29019 1.92578 -47.29161 674.05204
|
|
790.0000 -48.03613 -46.07392 1.96221 2.01932 -46.57964 731.68074
|
|
795.0000 -49.10904 -47.64277 1.46627 2.08356 -46.09062 817.48629
|
|
800.0000 -48.40222 -46.84430 1.55791 1.92392 -47.30575 621.05229
|
|
805.0000 -48.95041 -47.28737 1.66304 1.92766 -47.27729 637.23738
|
|
810.0000 -47.76895 -45.97579 1.79316 2.00485 -46.68973 716.91614
|
|
815.0000 -47.94142 -45.92988 2.01154 2.06185 -46.25591 763.22132
|
|
820.0000 -48.09026 -46.21764 1.87262 2.07309 -46.17032 749.73548
|
|
825.0000 -48.38814 -46.60280 1.78534 2.03330 -46.47321 750.52441
|
|
830.0000 -48.36436 -46.99619 1.36817 2.04464 -46.38688 715.78182
|
|
835.0000 -48.41425 -46.98243 1.43182 2.07663 -46.14342 720.76848
|
|
840.0000 -49.53452 -47.09340 2.44112 1.99069 -46.79754 652.71173
|
|
845.0000 -48.79565 -46.89301 1.90265 1.98126 -46.86933 717.17888
|
|
850.0000 -48.41681 -46.74640 1.67041 1.94890 -47.11562 654.53891
|
|
855.0000 -48.24352 -46.00498 2.23855 2.08155 -46.10592 753.58974
|
|
860.0000 -48.22979 -46.18990 2.03990 2.07563 -46.15099 795.18918
|
|
865.0000 -48.48731 -46.20375 2.28355 2.07030 -46.19161 734.92117
|
|
870.0000 -49.06351 -46.98715 2.07636 2.04999 -46.34617 721.19290
|
|
875.0000 -48.35397 -45.78089 2.57308 2.04517 -46.38287 723.04122
|
|
880.0000 -48.63744 -46.16114 2.47630 2.13880 -45.67016 874.46695
|
|
885.0000 -47.93432 -44.80866 3.12567 2.11758 -45.83166 800.90664
|
|
890.0000 -48.79894 -46.99922 1.79972 2.08954 -46.04509 760.81598
|
|
895.0000 -48.19678 -46.17729 2.01949 2.01984 -46.57570 752.87131
|
|
900.0000 -48.47021 -46.70018 1.77003 2.01294 -46.62818 758.73938
|
|
905.0000 -48.62874 -46.58896 2.03978 2.01064 -46.64572 676.87436
|
|
910.0000 -48.81313 -46.63071 2.18242 2.00463 -46.69142 730.91015
|
|
915.0000 -48.89433 -47.00780 1.88653 2.02892 -46.50657 743.19465
|
|
920.0000 -48.76050 -47.25495 1.50556 1.93762 -47.20150 674.22953
|
|
925.0000 -48.84519 -46.68125 2.16395 2.05535 -46.30537 800.68486
|
|
930.0000 -48.75348 -46.86581 1.88767 2.00063 -46.72189 692.57631
|
|
935.0000 -48.27186 -46.78189 1.48997 1.99826 -46.73992 682.59339
|
|
940.0000 -48.16617 -46.51259 1.65358 2.00721 -46.67176 684.62540
|
|
945.0000 -48.82999 -46.62177 2.20822 2.03831 -46.43506 764.88357
|
|
950.0000 -48.49211 -46.64431 1.84779 2.00416 -46.69499 694.23607
|
|
955.0000 -48.82082 -46.37614 2.44467 1.95730 -47.05168 697.58437
|
|
960.0000 -48.72361 -46.57356 2.15005 2.04336 -46.39664 749.69769
|
|
965.0000 -48.88029 -46.95422 1.92607 1.99301 -46.77984 696.72815
|
|
970.0000 -49.04225 -46.61310 2.42916 1.99103 -46.79497 714.77258
|
|
975.0000 -47.83831 -46.05262 1.78570 2.01377 -46.62190 730.02034
|
|
980.0000 -48.15623 -46.80225 1.35398 2.05085 -46.33960 764.98607
|
|
985.0000 -49.09474 -46.71997 2.37477 1.98266 -46.85866 686.75506
|
|
990.0000 -48.77131 -46.69577 2.07554 1.96851 -46.96634 704.65771
|
|
995.0000 -48.37918 -46.79508 1.58409 2.01590 -46.60569 686.07459
|
|
1000.0000 -49.68505 -47.47457 2.21048 1.98197 -46.86394 709.54404
|
|
1005.0000 -48.55920 -46.38030 2.17890 2.01464 -46.61526 764.40670
|
|
1010.0000 -47.01043 -44.91233 2.09811 2.16822 -45.44621 924.59770
|
|
1015.0000 -47.60273 -45.56640 2.03633 2.16605 -45.46273 841.76277
|
|
1020.0000 -48.42820 -46.46695 1.96125 2.07577 -46.14991 708.81475
|
|
1025.0000 -48.30013 -46.58300 1.71713 2.05213 -46.32987 764.18682
|
|
1030.0000 -48.54778 -46.13027 2.41751 2.05138 -46.33560 789.10877
|
|
1035.0000 -47.10329 -45.43516 1.66813 2.10634 -45.91722 851.82182
|
|
1040.0000 -48.75870 -46.59960 2.15910 2.08160 -46.10557 810.73329
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1905.0000 -47.47521 -43.99719 3.47802 2.46272 -43.20460 1156.58262
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1915.0000 -46.84001 -43.45439 3.38562 2.51157 -42.83275 1184.88362
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1920.0000 -46.49310 -43.75436 2.73875 2.47648 -43.09987 1205.44032
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1925.0000 -46.91219 -44.18741 2.72477 2.34246 -44.11997 1026.48018
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1930.0000 -47.04894 -43.74756 3.30137 2.34037 -44.13591 1036.35261
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1935.0000 -47.37980 -43.58653 3.79328 2.37508 -43.87167 1017.17452
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1940.0000 -47.15982 -44.95577 2.20405 2.32305 -44.26774 1070.06097
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1945.0000 -47.23338 -44.55517 2.67821 2.31764 -44.30893 1005.42083
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1950.0000 -47.32331 -45.10732 2.21598 2.31219 -44.35039 1027.81519
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1955.0000 -46.91989 -43.83696 3.08293 2.28829 -44.53229 1004.18801
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1960.0000 -47.04399 -44.24792 2.79607 2.37689 -43.85795 1065.36743
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1965.0000 -47.03893 -43.56419 3.47474 2.38304 -43.81108 1013.48768
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1970.0000 -46.23899 -44.32354 1.91546 2.50035 -42.91814 1135.88608
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1975.0000 -46.19656 -42.64323 3.55334 2.44040 -43.37449 1051.06422
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1980.0000 -46.36017 -43.54671 2.81346 2.49431 -42.96412 1143.42338
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1985.0000 -46.76496 -43.08946 3.67549 2.39889 -43.69044 1158.07227
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1990.0000 -47.69439 -44.62683 3.06756 2.35756 -44.00501 1102.99282
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1995.0000 -47.91117 -43.81870 4.09247 2.25504 -44.78541 862.72957
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2000.0000 -46.82042 -44.41400 2.40642 2.28309 -44.57187 982.29200
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