3203 lines
328 KiB
Plaintext
3203 lines
328 KiB
Plaintext
## Time[ps] Epot[eV] Etot[eV] Ekin[eV] <Edelta> <Etot> <T[K]>
|
|
5.0000 -121.68025 -113.50043 8.17982 2.89662 -113.04533 1140.51681
|
|
10.0000 -120.99292 -115.33504 5.65788 2.83400 -113.91775 1122.45630
|
|
15.0000 -123.03285 -115.59546 7.43739 2.69536 -115.84920 1019.46992
|
|
20.0000 -121.57314 -114.82289 6.75025 2.69009 -115.92264 1002.84867
|
|
25.0000 -122.98136 -115.88793 7.09343 2.79833 -114.41467 1104.52197
|
|
30.0000 -120.64734 -113.83647 6.81087 2.78807 -114.55768 1082.13109
|
|
35.0000 -119.54391 -112.30936 7.23455 2.87858 -113.29661 1141.75363
|
|
40.0000 -120.72337 -113.18967 7.53370 2.90960 -112.86445 1154.89806
|
|
45.0000 -120.17514 -111.99298 8.18216 2.90764 -112.89182 1123.35128
|
|
50.0000 -121.14315 -113.76897 7.37417 2.90677 -112.90387 1176.29264
|
|
55.0000 -122.38247 -115.41557 6.96691 2.81206 -114.22337 1098.64962
|
|
60.0000 -121.94341 -114.62258 7.32083 2.75278 -115.04927 1075.12010
|
|
65.0000 -121.82072 -115.77764 6.04308 2.71586 -115.56358 1003.27836
|
|
70.0000 -122.00355 -115.41430 6.58925 2.71654 -115.55416 1040.08167
|
|
75.0000 -120.13634 -112.99682 7.13952 2.81213 -114.22246 1116.37717
|
|
80.0000 -122.80602 -114.42455 8.38148 2.83282 -113.93413 1137.91472
|
|
85.0000 -122.62206 -115.00315 7.61891 2.73380 -115.31367 1042.96883
|
|
90.0000 -123.00704 -115.69846 7.30858 2.73622 -115.27993 1028.38470
|
|
95.0000 -122.39734 -114.85344 7.54390 2.76100 -114.93474 1056.79077
|
|
100.0000 -122.04350 -115.00157 7.04193 2.76751 -114.84404 1070.28275
|
|
105.0000 -123.77999 -115.75385 8.02614 2.74162 -115.20473 1065.35381
|
|
110.0000 -121.55843 -114.73603 6.82240 2.72368 -115.45465 1058.65892
|
|
115.0000 -121.29269 -115.39131 5.90138 2.73107 -115.35173 1046.25780
|
|
120.0000 -121.04554 -114.23628 6.80925 2.74772 -115.11973 1055.90947
|
|
125.0000 -121.49434 -113.88063 7.61371 2.86985 -113.41832 1102.43599
|
|
130.0000 -123.44732 -116.12279 7.32453 2.76801 -114.83709 1076.93342
|
|
135.0000 -122.69308 -116.26293 6.43016 2.65404 -116.42488 979.06149
|
|
140.0000 -121.42711 -114.39362 7.03349 2.75031 -115.08374 1051.17758
|
|
145.0000 -120.85073 -113.17034 7.68039 2.84985 -113.69690 1141.38010
|
|
150.0000 -121.42100 -114.59747 6.82354 2.84894 -113.70957 1156.79927
|
|
155.0000 -121.43020 -112.80849 8.62171 2.74289 -115.18708 1036.54457
|
|
160.0000 -119.19651 -111.57693 7.61959 3.04073 -111.03758 1250.76063
|
|
165.0000 -122.02292 -114.41656 7.60636 2.90895 -112.87356 1162.66906
|
|
170.0000 -122.28472 -114.85288 7.43184 2.76476 -114.88230 1080.70031
|
|
175.0000 -121.72199 -115.03335 6.68864 2.75849 -114.96975 1047.43342
|
|
180.0000 -122.34175 -114.64597 7.69578 2.81743 -114.14863 1091.73897
|
|
185.0000 -121.30570 -114.81349 6.49221 2.84671 -113.74070 1098.56336
|
|
190.0000 -121.22835 -112.71952 8.50883 2.98077 -111.87305 1208.58972
|
|
195.0000 -122.30626 -115.99899 6.30727 2.74871 -115.10594 1064.53723
|
|
200.0000 -122.26365 -115.01851 7.24514 2.73695 -115.26982 1057.59724
|
|
205.0000 -123.22950 -115.05406 8.17544 2.71479 -115.57853 1043.33914
|
|
210.0000 -123.87789 -115.54203 8.33587 2.79983 -114.39382 1094.54981
|
|
215.0000 -121.56217 -115.67462 5.88755 2.70356 -115.73497 1018.30182
|
|
220.0000 -121.21165 -113.80584 7.40581 2.79213 -114.50112 1081.61744
|
|
225.0000 -122.03774 -115.01692 7.02081 2.79872 -114.40926 1090.86123
|
|
230.0000 -121.91313 -114.77601 7.13712 2.80654 -114.30033 1105.27447
|
|
235.0000 -122.60296 -115.34609 7.25687 2.75496 -115.01889 1039.86471
|
|
240.0000 -122.74173 -114.86593 7.87580 2.73206 -115.33788 1057.30534
|
|
245.0000 -123.38312 -116.84993 6.53319 2.73307 -115.32382 1069.00045
|
|
250.0000 -122.24852 -114.28770 7.96082 2.70263 -115.74797 1013.43671
|
|
255.0000 -121.18669 -114.57157 6.61512 2.75647 -114.99778 1059.71874
|
|
260.0000 -123.76463 -115.77624 7.98839 2.75086 -115.07595 1076.18772
|
|
265.0000 -123.04783 -115.42206 7.62577 2.69589 -115.84183 1012.76808
|
|
270.0000 -121.13374 -114.06728 7.06646 2.76097 -114.93513 1046.75055
|
|
275.0000 -121.02626 -112.82004 8.20622 2.85475 -113.62862 1126.42104
|
|
280.0000 -121.33491 -114.39677 6.93814 2.80192 -114.36469 1136.06324
|
|
285.0000 -121.68164 -114.57997 7.10167 2.78633 -114.58190 1083.85957
|
|
290.0000 -121.96229 -114.30490 7.65740 2.83933 -113.84350 1148.59089
|
|
295.0000 -120.44136 -114.72157 5.71979 2.78938 -114.53937 1063.17667
|
|
300.0000 -121.95295 -114.44934 7.50361 2.76654 -114.85762 1060.64889
|
|
305.0000 -121.12753 -113.32230 7.80523 2.83168 -113.95000 1115.00043
|
|
310.0000 -122.14777 -116.43150 5.71627 2.73601 -115.28291 1049.56402
|
|
315.0000 -123.57687 -116.40839 7.16847 2.65214 -116.45138 968.43330
|
|
320.0000 -122.86015 -116.46770 6.39245 2.64014 -116.61847 969.97217
|
|
325.0000 -121.63693 -115.12161 6.51531 2.69703 -115.82598 971.78835
|
|
330.0000 -123.21543 -116.48136 6.73407 2.72279 -115.46714 1010.29325
|
|
335.0000 -121.59230 -115.44573 6.14657 2.68961 -115.92933 982.55342
|
|
340.0000 -121.08203 -112.85543 8.22661 2.86304 -113.51311 1148.63840
|
|
345.0000 -123.18370 -116.80119 6.38252 2.76344 -114.90075 1111.79460
|
|
350.0000 -124.22303 -117.37203 6.85101 2.65658 -116.38949 979.21263
|
|
355.0000 -122.80383 -113.73435 9.06948 2.73402 -115.31057 1044.93210
|
|
360.0000 -124.02874 -116.99549 7.03325 2.78900 -114.54461 1132.57945
|
|
365.0000 -122.18732 -115.19742 6.98990 2.67108 -116.18747 1021.31454
|
|
370.0000 -123.02814 -116.50789 6.52025 2.74925 -115.09844 1053.95640
|
|
375.0000 -123.49480 -116.14424 7.35056 2.69973 -115.78831 1010.65843
|
|
380.0000 -120.54581 -114.75002 5.79579 2.72600 -115.42232 1027.86244
|
|
385.0000 -122.30024 -114.85523 7.44501 2.78592 -114.58758 1057.94925
|
|
390.0000 -123.19130 -116.23911 6.95219 2.69108 -115.90890 1016.83502
|
|
395.0000 -123.63777 -116.89653 6.74123 2.62941 -116.76804 960.90837
|
|
400.0000 -121.92419 -115.05968 6.86450 2.66008 -116.34073 981.10960
|
|
405.0000 -123.50612 -116.71275 6.79337 2.62828 -116.78374 980.83425
|
|
410.0000 -122.69036 -116.83702 5.85333 2.68809 -115.95044 1028.49239
|
|
415.0000 -123.37537 -116.27868 7.09669 2.70261 -115.74817 1051.73980
|
|
420.0000 -125.06183 -116.63448 8.42735 2.60759 -117.07205 981.51104
|
|
425.0000 -123.00486 -114.49986 8.50499 2.77402 -114.75334 1078.64586
|
|
430.0000 -121.99643 -114.13627 7.86016 2.81097 -114.23852 1131.50156
|
|
435.0000 -121.80088 -114.64032 7.16056 2.76603 -114.86460 1068.92877
|
|
440.0000 -121.18844 -115.01009 6.17835 2.75317 -115.04387 1062.05688
|
|
445.0000 -123.56436 -117.20679 6.35758 2.68107 -116.04835 1026.95709
|
|
450.0000 -122.42182 -115.23865 7.18317 2.69695 -115.82713 1030.20369
|
|
455.0000 -123.04674 -115.24307 7.80367 2.69817 -115.81006 1016.85914
|
|
460.0000 -123.97475 -117.74470 6.23006 2.63179 -116.73489 960.83057
|
|
465.0000 -122.58872 -117.00665 5.58206 2.58029 -117.45235 928.05185
|
|
470.0000 -123.44405 -117.32278 6.12126 2.63034 -116.75499 947.48886
|
|
475.0000 -124.51354 -115.81808 8.69546 2.68361 -116.01294 1028.45365
|
|
480.0000 -123.55915 -117.11169 6.44745 2.64724 -116.51967 995.25473
|
|
485.0000 -121.78893 -114.18217 7.60676 2.71184 -115.61962 1037.95546
|
|
490.0000 -122.86191 -115.60929 7.25261 2.77031 -114.80505 1080.50843
|
|
495.0000 -121.55528 -114.81136 6.74391 2.71975 -115.50937 1017.59405
|
|
500.0000 -121.18205 -113.37532 7.80672 2.85747 -113.59073 1150.70673
|
|
505.0000 -122.26781 -115.18953 7.07828 2.80362 -114.34096 1081.85133
|
|
510.0000 -122.64965 -115.13259 7.51706 2.75730 -114.98633 1047.51598
|
|
515.0000 -121.39867 -115.45992 5.93875 2.72800 -115.39444 1028.63074
|
|
520.0000 -121.75575 -115.09438 6.66137 2.72758 -115.40029 1060.34178
|
|
525.0000 -122.56218 -116.80534 5.75683 2.65147 -116.46071 963.37083
|
|
530.0000 -122.48009 -116.25603 6.22407 2.62163 -116.87641 947.92975
|
|
535.0000 -121.60100 -114.65375 6.94724 2.74568 -115.14819 1044.56624
|
|
540.0000 -122.00505 -114.62165 7.38339 2.82128 -114.09492 1123.63180
|
|
545.0000 -123.40180 -116.25421 7.14759 2.71389 -115.59104 1028.38278
|
|
550.0000 -121.78218 -115.64353 6.13865 2.71779 -115.53678 1019.98280
|
|
555.0000 -122.95381 -115.07763 7.87619 2.69777 -115.81561 1019.18591
|
|
560.0000 -120.32634 -114.43632 5.89002 2.79911 -114.40375 1097.85332
|
|
565.0000 -122.25914 -114.79889 7.46025 2.71128 -115.62740 1018.33735
|
|
570.0000 -119.61624 -113.04248 6.57376 2.80818 -114.27745 1090.87461
|
|
575.0000 -121.83092 -114.46468 7.36625 2.81424 -114.19296 1121.67553
|
|
580.0000 -122.68269 -115.38091 7.30178 2.76504 -114.87839 1060.55458
|
|
585.0000 -122.71131 -115.88041 6.83090 2.68520 -115.99074 1001.99061
|
|
590.0000 -123.29991 -117.00084 6.29907 2.62586 -116.81750 959.51195
|
|
595.0000 -123.12682 -115.48270 7.64412 2.63328 -116.71407 965.03095
|
|
600.0000 -122.72611 -115.79739 6.92872 2.70835 -115.66819 1033.41284
|
|
605.0000 -122.31425 -114.96890 7.34535 2.66576 -116.26166 1024.40247
|
|
610.0000 -121.82975 -114.00103 7.82872 2.77676 -114.71513 1080.25627
|
|
615.0000 -122.64860 -116.15091 6.49769 2.74946 -115.09553 1104.07141
|
|
620.0000 -121.15623 -113.79487 7.36136 2.72342 -115.45825 1035.73561
|
|
625.0000 -121.05491 -113.48205 7.57286 2.82741 -114.00954 1086.15226
|
|
630.0000 -121.68742 -114.71800 6.96942 2.88238 -113.24366 1171.73715
|
|
635.0000 -121.42294 -114.02196 7.40098 2.78079 -114.65899 1069.48355
|
|
640.0000 -121.82492 -114.53375 7.29116 2.80295 -114.35028 1116.70119
|
|
645.0000 -122.46677 -114.03296 8.43381 2.76603 -114.86460 1071.10933
|
|
650.0000 -121.53324 -113.42797 8.10526 2.86254 -113.52017 1149.33937
|
|
655.0000 -122.62576 -112.86654 9.75922 2.86781 -113.44670 1173.87392
|
|
660.0000 -121.57039 -115.13268 6.43771 2.90741 -112.89494 1165.71512
|
|
665.0000 -123.39454 -117.28117 6.11337 2.60933 -117.04779 952.62004
|
|
670.0000 -122.82285 -116.02237 6.80048 2.65840 -116.36407 980.99842
|
|
675.0000 -122.83294 -116.43840 6.39454 2.67993 -116.06415 1009.53576
|
|
680.0000 -122.68329 -115.62212 7.06116 2.76557 -114.87109 1043.37541
|
|
685.0000 -121.16999 -114.68402 6.48596 2.75038 -115.08275 1039.96736
|
|
690.0000 -121.33071 -114.95580 6.37491 2.79042 -114.52493 1062.95513
|
|
695.0000 -122.97382 -116.49037 6.48345 2.67019 -116.19983 990.45285
|
|
700.0000 -122.72711 -115.04573 7.68138 2.60846 -117.05985 938.48190
|
|
705.0000 -122.94609 -115.06822 7.87787 2.75692 -114.99154 1092.22785
|
|
710.0000 -121.50420 -114.57103 6.93317 2.72599 -115.42250 1063.72947
|
|
715.0000 -121.18796 -114.29244 6.89552 2.78954 -114.53709 1094.27460
|
|
720.0000 -121.25913 -114.95124 6.30789 2.71128 -115.62743 1032.72515
|
|
725.0000 -121.22225 -114.97399 6.24825 2.79785 -114.42139 1059.84062
|
|
730.0000 -120.87449 -113.52930 7.34519 2.82344 -114.06482 1101.05123
|
|
735.0000 -121.99487 -115.27232 6.72255 2.77444 -114.74757 1094.70113
|
|
740.0000 -121.98063 -114.09191 7.88872 2.77564 -114.73084 1068.34742
|
|
745.0000 -121.97177 -115.01575 6.95603 2.73452 -115.30364 1048.27252
|
|
750.0000 -121.40824 -114.88495 6.52329 2.78266 -114.63304 1056.97370
|
|
755.0000 -122.35837 -114.96744 7.39093 2.72997 -115.36704 1031.48237
|
|
760.0000 -122.90599 -114.95383 7.95216 2.79752 -114.42598 1099.81351
|
|
765.0000 -123.09279 -117.23216 5.86063 2.75980 -114.95146 1077.09609
|
|
770.0000 -124.16143 -118.11908 6.04235 2.57068 -117.58628 910.17940
|
|
775.0000 -124.08152 -117.63265 6.44887 2.61303 -116.99627 970.08732
|
|
780.0000 -123.92094 -118.51867 5.40227 2.55584 -117.79299 903.30735
|
|
785.0000 -123.12448 -116.49279 6.63169 2.56851 -117.61645 938.72519
|
|
790.0000 -121.24482 -114.75250 6.49233 2.68447 -116.00098 1026.23635
|
|
795.0000 -122.63168 -114.96612 7.66556 2.78811 -114.55712 1088.49102
|
|
800.0000 -123.63424 -116.29336 7.34089 2.75704 -114.98995 1050.22640
|
|
805.0000 -122.38048 -115.81400 6.56649 2.64544 -116.54469 984.43400
|
|
810.0000 -122.21666 -114.62137 7.59528 2.71481 -115.57831 1052.30280
|
|
815.0000 -122.31595 -114.88134 7.43461 2.74938 -115.09658 1065.67655
|
|
820.0000 -122.90653 -115.41437 7.49216 2.70312 -115.74117 1041.46114
|
|
825.0000 -122.98759 -116.36454 6.62305 2.77716 -114.70957 1092.32213
|
|
830.0000 -123.13915 -116.40741 6.73174 2.61134 -117.01970 949.03466
|
|
835.0000 -123.28940 -115.67394 7.61545 2.66765 -116.23532 1003.47431
|
|
840.0000 -123.53408 -115.95726 7.57683 2.76469 -114.88332 1043.68770
|
|
845.0000 -123.21951 -116.45747 6.76204 2.74630 -115.13955 1065.86498
|
|
850.0000 -121.58546 -115.71176 5.87370 2.65412 -116.42372 958.29488
|
|
855.0000 -122.86884 -116.08453 6.78430 2.65616 -116.39532 958.14857
|
|
860.0000 -123.56570 -116.69836 6.86734 2.60981 -117.04105 954.01495
|
|
865.0000 -123.50012 -117.05867 6.44145 2.64630 -116.53264 1003.43283
|
|
870.0000 -125.09956 -117.51412 7.58545 2.62871 -116.77770 960.98039
|
|
875.0000 -123.45105 -117.69007 5.76098 2.57956 -117.46255 939.42689
|
|
880.0000 -122.97660 -116.27599 6.70060 2.61948 -116.90634 940.51985
|
|
885.0000 -123.43054 -117.02545 6.40509 2.62490 -116.83082 981.10537
|
|
890.0000 -123.34812 -116.50164 6.84648 2.63001 -116.75960 968.67955
|
|
895.0000 -123.35835 -115.66539 7.69296 2.65308 -116.43828 996.13077
|
|
900.0000 -121.88930 -115.36196 6.52735 2.74438 -115.16625 1034.25414
|
|
905.0000 -122.39922 -114.36325 8.03597 2.82839 -113.99588 1113.19922
|
|
910.0000 -121.28484 -114.42484 6.86000 2.77504 -114.73912 1038.03766
|
|
915.0000 -122.32147 -114.59803 7.72344 2.77833 -114.69326 1078.11149
|
|
920.0000 -122.31851 -114.68159 7.63692 2.78865 -114.54956 1048.32500
|
|
925.0000 -122.28487 -115.60672 6.67815 2.74324 -115.18216 1037.48155
|
|
930.0000 -122.07878 -114.68422 7.39456 2.75496 -115.01893 1054.80438
|
|
935.0000 -123.41479 -116.24171 7.17308 2.71153 -115.62391 1037.20640
|
|
940.0000 -121.73588 -116.43393 5.30196 2.66483 -116.27458 1000.32583
|
|
945.0000 -121.75358 -115.50657 6.24701 2.65888 -116.35749 979.18915
|
|
950.0000 -122.77984 -115.30126 7.47858 2.72634 -115.41768 1075.93247
|
|
955.0000 -123.36988 -116.23799 7.13189 2.69758 -115.81832 1018.99376
|
|
960.0000 -122.02648 -114.95970 7.06677 2.68044 -116.05704 1020.93542
|
|
965.0000 -121.98273 -114.83138 7.15135 2.74956 -115.09412 1063.68849
|
|
970.0000 -120.87613 -113.80343 7.07270 2.77739 -114.70639 1113.90373
|
|
975.0000 -120.08091 -113.65670 6.42420 2.85555 -113.61754 1143.82608
|
|
980.0000 -120.64378 -114.54305 6.10073 2.82884 -113.98956 1094.20159
|
|
985.0000 -124.58585 -118.34784 6.23802 2.66525 -116.26865 964.68241
|
|
990.0000 -122.52294 -115.68426 6.83868 2.58800 -117.34490 922.91417
|
|
995.0000 -119.91543 -112.78161 7.13381 2.80795 -114.28062 1071.67298
|
|
1000.0000 -124.06190 -116.96800 7.09390 2.76867 -114.82788 1060.03785
|
|
1005.0000 -122.93905 -116.47434 6.46471 2.66609 -116.25694 977.37516
|
|
1010.0000 -122.32830 -115.67499 6.65331 2.70280 -115.74560 1026.85569
|
|
1015.0000 -124.60594 -118.41771 6.18823 2.60035 -117.17282 950.71083
|
|
1020.0000 -123.37086 -117.82076 5.55010 2.54809 -117.90088 872.11245
|
|
1025.0000 -122.59900 -115.10522 7.49378 2.63009 -116.75850 940.68411
|
|
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1895.0000 -124.74967 -119.14930 5.60036 2.51707 -118.33304 875.89162
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1900.0000 -123.46042 -116.79078 6.66964 2.47806 -118.87660 857.40174
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1905.0000 -121.89074 -116.29626 5.59448 2.66569 -116.26257 968.30670
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1920.0000 -124.24251 -118.05394 6.18857 2.50361 -118.52056 885.60410
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1925.0000 -126.39654 -119.85328 6.54326 2.46654 -119.03711 852.58458
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1930.0000 -124.52589 -117.70723 6.81865 2.49546 -118.63419 873.31004
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1935.0000 -123.35806 -116.38999 6.96807 2.61679 -116.94381 959.23904
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1940.0000 -124.21896 -118.16195 6.05701 2.60895 -117.05301 967.00656
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1945.0000 -124.12098 -118.64893 5.47205 2.51595 -118.34872 863.10847
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1950.0000 -123.99289 -117.81124 6.18165 2.47721 -118.88836 834.79460
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1955.0000 -122.50937 -116.30467 6.20470 2.65109 -116.46594 939.75500
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1960.0000 -121.55494 -114.92822 6.62672 2.71769 -115.53806 974.62277
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1965.0000 -123.13379 -117.14335 5.99044 2.70303 -115.74241 1018.30914
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1970.0000 -123.06243 -116.81621 6.24621 2.57498 -117.52632 945.99944
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1975.0000 -124.28817 -117.41837 6.86980 2.65473 -116.41523 1015.91297
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1980.0000 -122.15139 -115.88639 6.26500 2.70153 -115.76324 1014.29807
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1985.0000 -122.58307 -116.06344 6.51963 2.69058 -115.91575 1022.87433
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1990.0000 -123.85559 -117.62846 6.22714 2.60584 -117.09631 938.95514
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1995.0000 -126.48963 -121.01421 5.47542 2.47112 -118.97332 849.30664
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2000.0000 -124.74689 -119.47438 5.27251 2.36826 -120.40622 794.04126
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2005.0000 -124.91500 -119.24998 5.66502 2.44919 -119.27876 824.13446
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2010.0000 -125.32424 -119.04800 6.27624 2.47178 -118.96402 838.83817
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2015.0000 -124.61636 -118.31472 6.30165 2.48486 -118.78178 845.11921
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2020.0000 -125.14524 -118.67334 6.47190 2.48772 -118.74198 868.91605
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2025.0000 -124.32043 -118.50778 5.81266 2.46144 -119.10812 846.42322
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2030.0000 -124.60666 -118.63227 5.97440 2.51019 -118.42896 863.09638
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2035.0000 -124.40154 -118.60828 5.79327 2.50086 -118.55895 888.28743
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2040.0000 -124.52180 -118.99468 5.52712 2.51465 -118.36684 886.18109
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|
|
7150.0000 -131.04819 -127.58276 3.46544 1.86306 -127.44455 445.14097
|
|
7155.0000 -130.67351 -127.94658 2.72694 1.83226 -127.87356 422.93871
|
|
7160.0000 -130.54752 -128.13296 2.41456 1.80246 -128.28882 394.03437
|
|
7165.0000 -131.08859 -128.38344 2.70516 1.80232 -128.29077 391.10069
|
|
7170.0000 -130.71337 -128.39961 2.31376 1.79170 -128.43873 381.98901
|
|
7175.0000 -130.44442 -128.00518 2.43924 1.80961 -128.18922 403.31497
|
|
7180.0000 -131.27115 -128.73736 2.53378 1.79625 -128.37528 388.12543
|
|
7185.0000 -130.91418 -128.30626 2.60792 1.77930 -128.61138 371.03949
|
|
7190.0000 -131.03698 -128.05227 2.98471 1.80103 -128.30875 390.96384
|
|
7195.0000 -130.61458 -127.33969 3.27489 1.84893 -127.64144 438.33931
|
|
7200.0000 -130.90106 -128.56494 2.33612 1.83057 -127.89718 423.51311
|
|
7205.0000 -131.44831 -128.75492 2.69338 1.77719 -128.64084 373.92494
|
|
7210.0000 -131.36009 -128.37867 2.98143 1.77328 -128.69526 367.14752
|
|
7215.0000 -131.11594 -128.68851 2.42743 1.78988 -128.46410 382.83468
|
|
7220.0000 -130.79406 -128.02286 2.77121 1.81536 -128.10911 407.19738
|
|
7225.0000 -130.73991 -128.61738 2.12252 1.80124 -128.30573 395.47331
|
|
7230.0000 -130.97128 -127.97146 2.99983 1.79631 -128.37448 391.48780
|
|
7235.0000 -130.64176 -127.99010 2.65167 1.80955 -128.19007 401.46246
|
|
7240.0000 -130.64251 -128.10228 2.54023 1.80961 -128.18921 404.69649
|
|
7245.0000 -131.13928 -128.75793 2.38134 1.77081 -128.72968 368.86873
|
|
7250.0000 -130.19072 -127.75798 2.43273 1.81162 -128.16116 409.81359
|
|
7255.0000 -131.35450 -128.68921 2.66530 1.80345 -128.27501 402.47220
|
|
7260.0000 -131.29489 -128.90152 2.39337 1.74583 -129.07777 343.20743
|
|
7265.0000 -130.96487 -128.34642 2.61845 1.79907 -128.33602 389.99783
|
|
7270.0000 -131.01343 -128.94573 2.06770 1.78628 -128.51424 385.21619
|
|
7275.0000 -130.91466 -128.30183 2.61283 1.78952 -128.46911 388.02330
|
|
7280.0000 -131.01839 -128.61597 2.40242 1.79941 -128.33127 393.98856
|
|
7285.0000 -131.63079 -129.41025 2.22054 1.75035 -129.01469 344.26129
|
|
7290.0000 -131.62419 -129.46535 2.15885 1.71417 -129.51879 312.94248
|
|
7295.0000 -130.86572 -128.58591 2.27981 1.75485 -128.95204 351.54496
|
|
7300.0000 -131.81667 -128.99507 2.82160 1.78890 -128.47770 382.33809
|
|
7305.0000 -131.42231 -128.83522 2.58708 1.74555 -129.08164 347.72198
|
|
7310.0000 -131.52634 -129.08080 2.44555 1.74480 -129.09211 343.29767
|
|
7315.0000 -131.40904 -129.57679 1.83226 1.72640 -129.34836 323.09632
|
|
7320.0000 -130.89380 -128.19203 2.70177 1.74725 -129.05791 342.94376
|
|
7325.0000 -130.84902 -128.50327 2.34575 1.80609 -128.23827 402.65079
|
|
7330.0000 -131.34932 -128.63304 2.71628 1.76649 -128.78985 358.81900
|
|
7335.0000 -131.78219 -129.49255 2.28964 1.75782 -128.91073 353.28549
|
|
7340.0000 -131.43594 -128.72095 2.71500 1.74060 -129.15063 342.32802
|
|
7345.0000 -130.79029 -128.04204 2.74825 1.79529 -128.38872 393.73803
|
|
7350.0000 -131.03169 -128.27560 2.75609 1.80640 -128.23385 400.33843
|
|
7355.0000 -131.66096 -128.93928 2.72168 1.77284 -128.70144 367.22224
|
|
7360.0000 -130.58685 -128.49514 2.09172 1.77282 -128.70173 365.81182
|
|
7365.0000 -130.88097 -128.18503 2.69593 1.79761 -128.35631 389.11515
|
|
7370.0000 -131.48986 -128.90247 2.58740 1.78115 -128.58568 377.66997
|
|
7375.0000 -131.25497 -129.16462 2.09035 1.76561 -128.80222 355.53093
|
|
7380.0000 -131.10834 -128.78257 2.32577 1.75740 -128.91655 355.10112
|
|
7385.0000 -131.52379 -128.24873 3.27506 1.77894 -128.61651 371.68015
|
|
7390.0000 -130.84524 -128.28998 2.55526 1.81053 -128.17630 409.64851
|
|
7395.0000 -130.88998 -128.22492 2.66506 1.77483 -128.67365 369.71906
|
|
7400.0000 -131.02538 -128.37677 2.64861 1.79815 -128.34881 394.95506
|
|
7405.0000 -131.45932 -128.52631 2.93301 1.79759 -128.35663 390.39033
|
|
7410.0000 -130.68995 -128.42050 2.26945 1.78571 -128.52206 377.42141
|
|
7415.0000 -130.62536 -128.00916 2.61621 1.79930 -128.33279 385.42768
|
|
7420.0000 -131.24862 -128.50777 2.74085 1.80243 -128.28923 398.39068
|
|
7425.0000 -131.02820 -128.56805 2.46015 1.76478 -128.81366 357.94308
|
|
7430.0000 -131.62191 -129.20637 2.41553 1.76818 -128.76636 362.11698
|
|
7435.0000 -131.74128 -129.31114 2.43014 1.74383 -129.10554 346.09205
|
|
7440.0000 -131.17010 -129.07953 2.09057 1.74204 -129.13056 337.29783
|
|
7445.0000 -130.60378 -128.60979 1.99400 1.75130 -129.00159 348.18153
|
|
7450.0000 -131.28886 -128.92652 2.36234 1.76832 -128.76436 363.23619
|
|
7455.0000 -131.02095 -128.72253 2.29842 1.75779 -128.91115 354.03081
|
|
7460.0000 -130.80093 -128.76384 2.03710 1.76085 -128.86844 359.79460
|
|
7465.0000 -131.61199 -128.89099 2.72100 1.76185 -128.85461 361.79994
|
|
7470.0000 -131.19626 -128.46120 2.73506 1.76203 -128.85197 356.21118
|
|
7475.0000 -131.42016 -129.19976 2.22040 1.75882 -128.89673 355.20281
|
|
7480.0000 -131.65735 -129.31954 2.33780 1.72935 -129.30727 331.52668
|
|
7485.0000 -131.37180 -128.98500 2.38680 1.73342 -129.25056 327.55020
|
|
7490.0000 -131.62430 -129.10664 2.51766 1.76636 -128.79165 365.55846
|
|
7495.0000 -131.05303 -128.57591 2.47712 1.75990 -128.88167 357.89769
|
|
7500.0000 -130.92925 -128.21511 2.71413 1.80317 -128.27895 403.36609
|
|
7505.0000 -131.59096 -128.67866 2.91231 1.78647 -128.51159 383.13175
|
|
7510.0000 -131.21183 -128.53429 2.67755 1.78729 -128.50016 378.84838
|
|
7515.0000 -131.36545 -129.12285 2.24260 1.76384 -128.82682 359.78686
|
|
7520.0000 -131.39180 -129.30483 2.08697 1.74336 -129.11215 339.35810
|
|
7525.0000 -131.45401 -129.29048 2.16353 1.73636 -129.20962 334.02107
|
|
7530.0000 -131.41158 -129.30060 2.11098 1.74004 -129.15837 336.27029
|
|
7535.0000 -131.66918 -129.77164 1.89754 1.71578 -129.49638 311.41919
|
|
7540.0000 -131.77384 -129.31238 2.46146 1.71671 -129.48342 312.04335
|
|
7545.0000 -130.98569 -129.09696 1.88873 1.72100 -129.42359 318.76349
|
|
7550.0000 -131.90546 -129.32877 2.57668 1.73503 -129.22815 332.18868
|
|
7555.0000 -131.81044 -129.54610 2.26434 1.69579 -129.77493 294.96064
|
|
7560.0000 -131.48517 -128.97777 2.50740 1.71154 -129.55547 308.04553
|
|
7565.0000 -131.44150 -129.50127 1.94023 1.74433 -129.09868 341.12966
|
|
7570.0000 -131.46974 -129.23482 2.23492 1.72548 -129.36128 324.71358
|
|
7575.0000 -131.81759 -129.67429 2.14331 1.71644 -129.48718 311.88713
|
|
7580.0000 -131.46688 -129.40402 2.06286 1.72236 -129.40465 320.34034
|
|
7585.0000 -131.11364 -128.82317 2.29047 1.71927 -129.44772 316.18944
|
|
7590.0000 -131.42738 -129.53218 1.89520 1.74098 -129.14527 339.49437
|
|
7595.0000 -131.07256 -128.69632 2.37624 1.71485 -129.50933 311.28435
|
|
7600.0000 -131.24362 -129.00213 2.24149 1.75247 -128.98527 349.71188
|
|
7605.0000 -131.05650 -129.04121 2.01529 1.76027 -128.87649 358.61579
|
|
7610.0000 -131.33606 -129.08323 2.25284 1.72986 -129.30027 322.33019
|
|
7615.0000 -131.40394 -129.22833 2.17561 1.74001 -129.15885 337.32319
|
|
7620.0000 -131.55989 -129.25049 2.30939 1.73099 -129.28450 332.45847
|
|
7625.0000 -131.60346 -129.22427 2.37920 1.75332 -128.97337 353.02432
|
|
7630.0000 -131.43771 -129.02644 2.41127 1.75175 -128.99519 348.22483
|
|
7635.0000 -131.49570 -129.35933 2.13637 1.74874 -129.03719 345.75798
|
|
7640.0000 -131.04349 -129.16782 1.87567 1.72208 -129.40867 320.82959
|
|
7645.0000 -131.42693 -128.68430 2.74263 1.75227 -128.98803 346.70049
|
|
7650.0000 -131.68941 -129.73107 1.95834 1.72914 -129.31020 324.86260
|
|
7655.0000 -131.64508 -130.03860 1.60648 1.69719 -129.75539 293.00764
|
|
7660.0000 -131.43253 -128.89150 2.54104 1.72973 -129.30208 327.23609
|
|
7665.0000 -131.14829 -128.74799 2.40030 1.76113 -128.86452 355.26128
|
|
7670.0000 -131.69450 -129.23115 2.46335 1.74028 -129.15504 335.87880
|
|
7675.0000 -131.04623 -128.54156 2.50467 1.76468 -128.81514 361.99041
|
|
7680.0000 -131.40357 -129.41077 1.99280 1.74538 -129.08401 341.30759
|
|
7685.0000 -131.04657 -128.96456 2.08201 1.74131 -129.14069 336.59338
|
|
7690.0000 -131.00100 -129.10338 1.89762 1.75096 -129.00632 349.28003
|
|
7695.0000 -131.27877 -129.17085 2.10791 1.73447 -129.23594 334.18431
|
|
7700.0000 -130.87397 -128.17042 2.70355 1.77398 -128.68555 367.86023
|
|
7705.0000 -130.95023 -128.46549 2.48474 1.79765 -128.35579 390.55345
|
|
7710.0000 -131.68729 -129.35911 2.32818 1.76433 -128.81995 361.10315
|
|
7715.0000 -131.43406 -128.89447 2.53959 1.74951 -129.02643 351.77738
|
|
7720.0000 -131.18510 -128.97749 2.20761 1.74179 -129.13407 337.69669
|
|
7725.0000 -131.05313 -128.91193 2.14119 1.76616 -128.79445 361.35290
|
|
7730.0000 -131.45123 -128.86152 2.58970 1.75269 -128.98214 348.36558
|
|
7735.0000 -131.39662 -129.29071 2.10591 1.75063 -129.01088 345.49941
|
|
7740.0000 -131.56410 -129.00759 2.55651 1.76457 -128.81666 362.04165
|
|
7745.0000 -131.69310 -129.05277 2.64033 1.74178 -129.13416 339.06629
|
|
7750.0000 -131.63002 -129.94311 1.68690 1.71031 -129.57252 306.09439
|
|
7755.0000 -131.89345 -129.71340 2.18005 1.66567 -130.19450 263.36705
|
|
7760.0000 -131.22519 -129.05120 2.17399 1.72021 -129.43466 315.97260
|
|
7765.0000 -131.30994 -129.13649 2.17345 1.73766 -129.19160 334.09773
|
|
7770.0000 -131.28195 -129.17958 2.10237 1.73182 -129.27296 325.37529
|
|
7775.0000 -131.55968 -129.16038 2.39931 1.73755 -129.19307 336.84903
|
|
7780.0000 -131.63939 -129.91079 1.72861 1.71868 -129.45602 314.60557
|
|
7785.0000 -132.00207 -130.12629 1.87577 1.69399 -129.79991 292.01765
|
|
7790.0000 -131.22400 -129.41225 1.81175 1.70823 -129.60160 306.79524
|
|
7795.0000 -131.67746 -129.09390 2.58355 1.72819 -129.32343 325.38810
|
|
7800.0000 -131.21446 -129.12802 2.08644 1.74996 -129.02018 348.38544
|
|
7805.0000 -131.76141 -129.89622 1.86519 1.72568 -129.35841 323.75901
|
|
7810.0000 -131.96615 -129.44027 2.52587 1.70554 -129.63905 303.83835
|
|
7815.0000 -131.79935 -129.72397 2.07538 1.72211 -129.40819 318.73055
|
|
7820.0000 -131.78529 -129.88087 1.90441 1.71794 -129.46622 314.36839
|
|
7825.0000 -131.83718 -129.77550 2.06168 1.68395 -129.93988 282.03726
|
|
7830.0000 -131.38807 -129.35427 2.03379 1.70435 -129.65563 303.76277
|
|
7835.0000 -131.70193 -129.58422 2.11771 1.72729 -129.33606 322.55592
|
|
7840.0000 -131.84045 -129.40204 2.43841 1.69983 -129.71862 297.19142
|
|
7845.0000 -131.33981 -129.20527 2.13454 1.73199 -129.27053 331.32933
|
|
7850.0000 -131.81572 -129.65946 2.15626 1.70939 -129.58546 304.14242
|
|
7855.0000 -131.70960 -130.04245 1.66715 1.68888 -129.87107 288.29364
|
|
7860.0000 -131.08264 -129.25113 1.83151 1.69885 -129.73218 300.76128
|
|
7865.0000 -131.49212 -129.79966 1.69246 1.75144 -128.99960 345.25110
|
|
7870.0000 -131.70518 -129.49285 2.21234 1.70728 -129.61481 305.27562
|
|
7875.0000 -131.53445 -129.35458 2.17987 1.73314 -129.25445 331.08996
|
|
7880.0000 -131.76788 -129.18686 2.58102 1.72663 -129.34522 324.92935
|
|
7885.0000 -131.41381 -129.57824 1.83557 1.71280 -129.53785 307.99478
|
|
7890.0000 -131.26014 -129.28706 1.97307 1.71937 -129.44637 315.28295
|
|
7895.0000 -131.39077 -129.32592 2.06485 1.72399 -129.38193 322.13496
|
|
7900.0000 -131.07068 -128.76481 2.30586 1.73687 -129.20250 334.31039
|
|
7905.0000 -131.89670 -129.49058 2.40612 1.73975 -129.16243 341.51745
|
|
7910.0000 -131.44223 -129.47770 1.96454 1.71599 -129.49345 310.49814
|
|
7915.0000 -131.04199 -129.21959 1.82240 1.71163 -129.55424 307.96162
|
|
7920.0000 -131.58162 -129.72760 1.85402 1.71994 -129.43847 320.86151
|
|
7925.0000 -131.92337 -129.58747 2.33590 1.70733 -129.61413 305.63337
|
|
7930.0000 -131.15873 -129.46196 1.69677 1.70705 -129.61800 303.54529
|
|
7935.0000 -131.77124 -129.39156 2.37968 1.71517 -129.50487 310.42105
|
|
7940.0000 -131.66716 -129.46991 2.19725 1.73729 -129.19664 332.89499
|
|
7945.0000 -131.52353 -129.12444 2.39909 1.70979 -129.57989 307.93665
|
|
7950.0000 -131.62522 -129.33684 2.28838 1.73530 -129.22440 335.43119
|
|
7955.0000 -131.20852 -129.28588 1.92264 1.73446 -129.23614 335.43753
|
|
7960.0000 -131.35230 -128.92978 2.42253 1.75589 -128.93752 356.42222
|
|
7965.0000 -131.13746 -128.71721 2.42024 1.75710 -128.92068 356.27767
|
|
7970.0000 -131.27612 -129.29805 1.97808 1.75151 -128.99865 343.15810
|
|
7975.0000 -131.94226 -129.44562 2.49665 1.74399 -129.10336 343.10259
|
|
7980.0000 -131.45667 -129.16615 2.29053 1.72423 -129.37868 321.69214
|
|
7985.0000 -131.47244 -129.22191 2.25053 1.74145 -129.13871 333.08346
|
|
7990.0000 -131.59343 -129.34367 2.24975 1.71809 -129.46418 319.96959
|
|
7995.0000 -131.70016 -129.81965 1.88050 1.70554 -129.63904 302.94820
|
|
8000.0000 -131.58150 -129.45443 2.12707 1.69449 -129.79291 291.72947
|
|
## Time[ps] Epot[eV] Etot[eV] Ekin[eV] <Edelta> <Etot> <T[K]>
|
|
5.0000 -121.68025 -113.50043 8.17982 2.89662 -113.04533 1140.51681
|
|
10.0000 -120.99292 -115.33504 5.65788 2.83400 -113.91775 1122.45630
|
|
15.0000 -123.03285 -115.59546 7.43739 2.69536 -115.84920 1019.46992
|
|
20.0000 -121.57314 -114.82289 6.75025 2.69009 -115.92264 1002.84867
|
|
25.0000 -122.98136 -115.88793 7.09343 2.79833 -114.41467 1104.52197
|
|
30.0000 -120.64734 -113.83647 6.81087 2.78807 -114.55768 1082.13109
|
|
35.0000 -119.54391 -112.30936 7.23455 2.87858 -113.29661 1141.75363
|
|
40.0000 -120.72337 -113.18967 7.53370 2.90960 -112.86445 1154.89806
|
|
45.0000 -120.17514 -111.99298 8.18216 2.90764 -112.89182 1123.35128
|
|
50.0000 -121.14315 -113.76897 7.37417 2.90677 -112.90387 1176.29264
|
|
55.0000 -122.38247 -115.41557 6.96691 2.81206 -114.22337 1098.64962
|
|
60.0000 -121.94341 -114.62258 7.32083 2.75278 -115.04927 1075.12010
|
|
65.0000 -121.82072 -115.77764 6.04308 2.71586 -115.56358 1003.27836
|
|
70.0000 -122.00355 -115.41430 6.58925 2.71654 -115.55416 1040.08167
|
|
75.0000 -120.13634 -112.99682 7.13952 2.81213 -114.22246 1116.37717
|
|
80.0000 -122.80602 -114.42455 8.38148 2.83282 -113.93413 1137.91472
|
|
85.0000 -122.62206 -115.00315 7.61891 2.73380 -115.31367 1042.96883
|
|
90.0000 -123.00704 -115.69846 7.30858 2.73622 -115.27993 1028.38470
|
|
95.0000 -122.39734 -114.85344 7.54390 2.76100 -114.93474 1056.79077
|
|
100.0000 -122.04350 -115.00157 7.04193 2.76751 -114.84404 1070.28275
|
|
105.0000 -123.77999 -115.75385 8.02614 2.74162 -115.20473 1065.35381
|
|
110.0000 -121.55843 -114.73603 6.82240 2.72368 -115.45465 1058.65892
|
|
115.0000 -121.29269 -115.39131 5.90138 2.73107 -115.35173 1046.25780
|
|
120.0000 -121.04554 -114.23628 6.80925 2.74772 -115.11973 1055.90947
|
|
125.0000 -121.49434 -113.88063 7.61371 2.86985 -113.41832 1102.43599
|
|
130.0000 -123.44732 -116.12279 7.32453 2.76801 -114.83709 1076.93342
|
|
135.0000 -122.69308 -116.26293 6.43016 2.65404 -116.42488 979.06149
|
|
140.0000 -121.42711 -114.39362 7.03349 2.75031 -115.08374 1051.17758
|
|
145.0000 -120.85073 -113.17034 7.68039 2.84985 -113.69690 1141.38010
|
|
150.0000 -121.42100 -114.59747 6.82354 2.84894 -113.70957 1156.79927
|
|
155.0000 -121.43020 -112.80849 8.62171 2.74289 -115.18708 1036.54457
|
|
160.0000 -119.19651 -111.57693 7.61959 3.04073 -111.03758 1250.76063
|
|
165.0000 -122.02292 -114.41656 7.60636 2.90895 -112.87356 1162.66906
|
|
170.0000 -122.28472 -114.85288 7.43184 2.76476 -114.88230 1080.70031
|
|
175.0000 -121.72199 -115.03335 6.68864 2.75849 -114.96975 1047.43342
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1930.0000 -124.52589 -117.70723 6.81865 2.49546 -118.63419 873.31004
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1935.0000 -123.35806 -116.38999 6.96807 2.61679 -116.94381 959.23904
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1940.0000 -124.21896 -118.16195 6.05701 2.60895 -117.05301 967.00656
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1945.0000 -124.12098 -118.64893 5.47205 2.51595 -118.34872 863.10847
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1950.0000 -123.99289 -117.81124 6.18165 2.47721 -118.88836 834.79460
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1955.0000 -122.50937 -116.30467 6.20470 2.65109 -116.46594 939.75500
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1960.0000 -121.55494 -114.92822 6.62672 2.71769 -115.53806 974.62277
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1965.0000 -123.13379 -117.14335 5.99044 2.70303 -115.74241 1018.30914
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1970.0000 -123.06243 -116.81621 6.24621 2.57498 -117.52632 945.99944
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1975.0000 -124.28817 -117.41837 6.86980 2.65473 -116.41523 1015.91297
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1980.0000 -122.15139 -115.88639 6.26500 2.70153 -115.76324 1014.29807
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1985.0000 -122.58307 -116.06344 6.51963 2.69058 -115.91575 1022.87433
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1990.0000 -123.85559 -117.62846 6.22714 2.60584 -117.09631 938.95514
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1995.0000 -126.48963 -121.01421 5.47542 2.47112 -118.97332 849.30664
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2000.0000 -124.74689 -119.47438 5.27251 2.36826 -120.40622 794.04126
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2005.0000 -124.91500 -119.24998 5.66502 2.44919 -119.27876 824.13446
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2010.0000 -125.32424 -119.04800 6.27624 2.47178 -118.96402 838.83817
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2015.0000 -124.61636 -118.31472 6.30165 2.48486 -118.78178 845.11921
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2020.0000 -125.14524 -118.67334 6.47190 2.48772 -118.74198 868.91605
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2025.0000 -124.32043 -118.50778 5.81266 2.46144 -119.10812 846.42322
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2090.0000 -124.68374 -119.85733 4.82642 2.44409 -119.34989 816.29303
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2095.0000 -125.97646 -120.42431 5.55215 2.41158 -119.80279 781.60094
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2100.0000 -124.95415 -119.76160 5.19255 2.41395 -119.76973 800.72422
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2105.0000 -123.64360 -118.31584 5.32776 2.51093 -118.41866 882.01927
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2110.0000 -124.79845 -118.21704 6.58141 2.48914 -118.72215 855.12229
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2215.0000 -123.82480 -116.57368 7.25112 2.64941 -116.48941 985.41217
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