549 lines
53 KiB
Plaintext
549 lines
53 KiB
Plaintext
main_MD> Reading input file
|
|
read_input> Process type: melting
|
|
Read_input> Process caloric with a T-change of 100.00000000000000 [K] and a rate of 3.9999999999999997E+023 [K/ns]
|
|
read_input> Input for metadynamics has been read
|
|
read_input> Metadynamics has not been chosen.
|
|
read_input> Reading initial positions fromtoMelt_19.xyz
|
|
read_input> Finish reading initial positions
|
|
read_input> Validating positions
|
|
read_input> Initializing random number generator
|
|
read_input> Checking program
|
|
read_rgl> START READING FILE ../pot.pot
|
|
read_rgl>> END READING FILE ../pot.pot
|
|
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
|
|
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
|
|
read_rgl> PARAMETERS SELECTION
|
|
FOR IMET1 :: Ag 4
|
|
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
|
|
p :: 10.850000000000000 q :: 3.1800000000000002
|
|
ATOMIC RADIUS :: 1.4450000999999999
|
|
choice_pot> values:
|
|
frac = 0.12062503764379931 arete = 4.0870774781009569
|
|
choice_pot> mass is== 108.00000000000000 for elem1=
|
|
read_input> ntipo1 = 19 ntipo2 = 0
|
|
read_input> Finish reading input
|
|
main_MD> Allocating global variables
|
|
main_MD> Number of outputs that will be created: 450
|
|
main_MD> Size of nv and nvoiz: 19 1900
|
|
main_MD> Size of nv and nvoiz: 19 1900
|
|
main_MD> Number of time-steps (npas) = 50000
|
|
main_MD> Number of CVs (num_cv) = 1
|
|
main_MD> Max allowed number of atoms = 2900
|
|
main_MD> Max number of atoms = 19
|
|
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
|
|
main_MD> collvar_wanted = F
|
|
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
|
|
main_MD> THERMALIZATION IS STARTING
|
|
init> 4.9963451012648964E-002 0.13323259653010630 -0.11350888960081862 initial drift of cluster / NP1 for coalescence
|
|
init> 0.32680165838793956 0.30881381851117190 0.31109049805114564 scaling for velocity /for coalescence NP1
|
|
init.f90 > facguy = 1.8565139096546957E-003
|
|
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
|
|
preparo> END t=0 TIME STEP
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.49135 -1.36827 -5.16000
|
|
force_rgl> df(natom) -1.27649 2.18371 -0.49566
|
|
preparo> THERMALIZATION PROCESS AT 299.22951038855126
|
|
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
|
|
5000 -44.318020501451343 0.60483048705892062 -44.922850988510262 3.8641432222044978E-004
|
|
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
|
|
main_MD> Time-loop is starting for melting
|
|
main_MD> Now the computation of EXECUTION TIME starts
|
|
main_MD> Running from loop 1 to 9
|
|
MELTING PROCESS: loop number 1 T-loop= 399.00000000000000
|
|
main_MD> interactions number 1 at Temperature= 399.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.76937 0.87988 1.79418
|
|
force_rgl> df(natom) -2.41287 -1.61175 -0.52345
|
|
5.0000 -44.75587 -43.82810 0.92777 1.66782 -44.17451 303.72612
|
|
10.0000 -44.44861 -43.52599 0.92262 1.72404 -43.77423 387.58857
|
|
15.0000 -44.73153 -43.57304 1.15849 1.76290 -43.49749 425.88664
|
|
20.0000 -44.50200 -43.60950 0.89251 1.77099 -43.43993 436.02631
|
|
25.0000 -44.28745 -43.25618 1.03127 1.78134 -43.36622 437.31762
|
|
30.0000 -44.34706 -43.52189 0.82517 1.77597 -43.40446 436.75661
|
|
35.0000 -44.62313 -43.13017 1.49296 1.77642 -43.40124 433.45790
|
|
40.0000 -44.47219 -42.70257 1.76962 1.84857 -42.88751 549.76324
|
|
45.0000 -44.26124 -42.96038 1.30086 1.82306 -43.06913 491.79849
|
|
50.0000 -44.60086 -43.62738 0.97348 1.80015 -43.23229 464.67097
|
|
55.0000 -44.45058 -43.62561 0.82498 1.75860 -43.52812 410.77081
|
|
60.0000 -44.40261 -43.47196 0.93065 1.75997 -43.51839 426.43392
|
|
65.0000 -44.67633 -43.70926 0.96708 1.77260 -43.42842 443.41840
|
|
70.0000 -44.56698 -43.42109 1.14588 1.74191 -43.64699 409.74024
|
|
75.0000 -44.58805 -43.50977 1.07828 1.79212 -43.28945 469.22489
|
|
80.0000 -44.27585 -43.29405 0.98179 1.77179 -43.43418 410.84949
|
|
85.0000 -44.51051 -43.26383 1.24668 1.79436 -43.27351 466.12005
|
|
90.0000 -44.11742 -43.31294 0.80448 1.79146 -43.29411 448.90841
|
|
95.0000 -44.52951 -43.66027 0.86924 1.77090 -43.44056 426.53630
|
|
100.0000 -44.53897 -43.81284 0.72613 1.76483 -43.48378 420.84622
|
|
105.0000 -44.57844 -43.63581 0.94263 1.72273 -43.78353 370.62512
|
|
110.0000 -44.55003 -43.69108 0.85896 1.76248 -43.50051 441.63659
|
|
115.0000 -44.81165 -43.86636 0.94529 1.72112 -43.79496 354.72935
|
|
120.0000 -44.72416 -44.00241 0.72175 1.69032 -44.01434 329.08029
|
|
125.0000 -44.39041 -43.48593 0.90448 1.73946 -43.66442 408.29203
|
|
130.0000 -44.61793 -43.41809 1.19984 1.77826 -43.38813 468.84095
|
|
135.0000 -44.41953 -43.65357 0.76596 1.78072 -43.37060 447.72262
|
|
140.0000 -44.72022 -43.73446 0.98576 1.75175 -43.57689 415.46670
|
|
145.0000 -44.92109 -43.79974 1.12135 1.67475 -44.12520 321.56897
|
|
150.0000 -44.70123 -43.85107 0.85016 1.71418 -43.84439 367.30992
|
|
155.0000 -44.62424 -43.54196 1.08228 1.74648 -43.61440 418.49037
|
|
160.0000 -44.03396 -42.96222 1.07174 1.81391 -43.13429 472.19624
|
|
165.0000 -44.51156 -43.68721 0.82435 1.76635 -43.47292 398.12202
|
|
170.0000 -44.62242 -43.82067 0.80175 1.73217 -43.71630 356.83734
|
|
175.0000 -44.68515 -43.70163 0.98352 1.73380 -43.70471 379.28497
|
|
180.0000 -44.52447 -43.61175 0.91272 1.73169 -43.71975 383.49902
|
|
185.0000 -44.70364 -43.62145 1.08220 1.71639 -43.82868 375.44161
|
|
190.0000 -44.60556 -43.45907 1.14649 1.75089 -43.58299 416.48153
|
|
195.0000 -44.36208 -43.66436 0.69772 1.76928 -43.45206 441.11519
|
|
200.0000 -44.36671 -43.58057 0.78614 1.72698 -43.75324 388.00643
|
|
205.0000 -44.40432 -43.41610 0.98823 1.74623 -43.61617 397.05651
|
|
210.0000 -44.43017 -43.72488 0.70529 1.77220 -43.43130 422.69090
|
|
215.0000 -44.82196 -43.75968 1.06228 1.75089 -43.58299 385.73938
|
|
220.0000 -44.90693 -44.14628 0.76065 1.69088 -44.01034 379.60520
|
|
225.0000 -44.86973 -44.02843 0.84131 1.69637 -43.97124 415.75348
|
|
230.0000 -44.90269 -44.17682 0.72587 1.69281 -43.99660 398.59419
|
|
235.0000 -44.86439 -43.65148 1.21291 1.68052 -44.08411 374.96077
|
|
240.0000 -44.96128 -43.90505 1.05623 1.73545 -43.69298 456.11825
|
|
245.0000 -45.02845 -44.16424 0.86421 1.68684 -44.03908 378.20319
|
|
250.0000 -44.97473 -44.06890 0.90583 1.68785 -44.03188 385.93740
|
|
MELTING PROCESS: loop number 2 T-loop= 499.00000000000000
|
|
main_MD> interactions number 2 at Temperature= 499.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -3.66372 -1.45555 3.67307
|
|
force_rgl> df(natom) -0.38616 0.29667 1.57310
|
|
255.0000 -44.82113 -43.93027 0.89087 1.69579 -43.97532 413.56115
|
|
260.0000 -45.34793 -43.96615 1.38178 1.70852 -43.88472 432.89721
|
|
265.0000 -44.38601 -43.44558 0.94043 1.74601 -43.61777 477.95301
|
|
270.0000 -45.10141 -43.86353 1.23788 1.74760 -43.60641 490.66778
|
|
275.0000 -44.91453 -43.54091 1.37361 1.73847 -43.67148 476.64237
|
|
280.0000 -44.32038 -43.22883 1.09155 1.78369 -43.34945 504.00134
|
|
285.0000 -44.38795 -43.30790 1.08006 1.75994 -43.51860 484.02281
|
|
290.0000 -44.68516 -43.39087 1.29429 1.75467 -43.55609 484.05926
|
|
295.0000 -44.47945 -43.00696 1.47249 1.79411 -43.27524 522.75210
|
|
300.0000 -44.09508 -42.92935 1.16573 1.80940 -43.16643 548.05596
|
|
305.0000 -44.71646 -43.47967 1.23679 1.79588 -43.26269 531.01574
|
|
310.0000 -44.95279 -43.65070 1.30209 1.75017 -43.58818 490.55911
|
|
315.0000 -44.41314 -43.31747 1.09567 1.77503 -43.41113 514.31785
|
|
320.0000 -44.11297 -43.03573 1.07724 1.79475 -43.27072 527.27715
|
|
325.0000 -44.37154 -42.91564 1.45590 1.86396 -42.77792 623.69771
|
|
330.0000 -44.67308 -43.82216 0.85092 1.75184 -43.57625 481.68460
|
|
335.0000 -44.87133 -43.44140 1.42993 1.71888 -43.81093 420.43045
|
|
340.0000 -44.18512 -42.58358 1.60153 1.79088 -43.29825 519.22712
|
|
345.0000 -44.08681 -42.86737 1.21943 1.87419 -42.70509 565.56627
|
|
350.0000 -43.77285 -42.68607 1.08679 1.87135 -42.72530 569.66299
|
|
355.0000 -44.37357 -43.43792 0.93565 1.82019 -43.08956 495.69267
|
|
360.0000 -44.70767 -43.67331 1.03436 1.76950 -43.45049 433.58934
|
|
365.0000 -44.71796 -43.72441 0.99355 1.74346 -43.63593 395.40352
|
|
370.0000 -44.14098 -43.14259 0.99839 1.75335 -43.56550 410.24737
|
|
375.0000 -44.18727 -42.87395 1.31332 1.84224 -42.93258 515.15914
|
|
380.0000 -44.48522 -43.16602 1.31920 1.80801 -43.17629 488.47188
|
|
385.0000 -44.37217 -42.87160 1.50057 1.81570 -43.12154 489.74478
|
|
390.0000 -44.73705 -43.51626 1.22079 1.80835 -43.17391 489.69243
|
|
395.0000 -44.39333 -43.36983 1.02350 1.77449 -43.41500 420.35956
|
|
400.0000 -44.10967 -42.98444 1.12522 1.80674 -43.18537 474.74409
|
|
405.0000 -43.95997 -42.80324 1.15674 1.85942 -42.81028 572.82025
|
|
410.0000 -43.71469 -42.43987 1.27482 1.88382 -42.63648 609.70112
|
|
415.0000 -44.32360 -42.86532 1.45828 1.83636 -42.97447 513.06239
|
|
420.0000 -44.84752 -43.79875 1.04877 1.78387 -43.34820 488.14827
|
|
425.0000 -44.72320 -43.54057 1.18263 1.72797 -43.74624 441.50157
|
|
430.0000 -44.86748 -43.31597 1.55151 1.76367 -43.49203 496.45258
|
|
435.0000 -44.79815 -43.34934 1.44881 1.75369 -43.56307 481.67589
|
|
440.0000 -44.64379 -43.40514 1.23866 1.79908 -43.23986 540.28290
|
|
445.0000 -44.49763 -43.12965 1.36798 1.77325 -43.42383 503.59221
|
|
450.0000 -44.67962 -43.37417 1.30546 1.79314 -43.28217 530.73119
|
|
455.0000 -44.77261 -43.31037 1.46224 1.79437 -43.27343 540.91160
|
|
460.0000 -45.15088 -44.32062 0.83025 1.75690 -43.54019 473.73733
|
|
465.0000 -45.09943 -44.37017 0.72926 1.66281 -44.21016 348.37458
|
|
470.0000 -44.69410 -43.67503 1.01907 1.69142 -44.00650 393.87911
|
|
475.0000 -44.53895 -43.55045 0.98850 1.76200 -43.50392 477.15987
|
|
480.0000 -44.37234 -43.33240 1.03994 1.73551 -43.69255 459.12305
|
|
485.0000 -44.63096 -43.67869 0.95227 1.77031 -43.44474 507.76544
|
|
490.0000 -44.49765 -43.26364 1.23401 1.77507 -43.41085 501.27577
|
|
495.0000 -44.43123 -42.48642 1.94481 1.82880 -43.02827 573.99837
|
|
500.0000 -44.51531 -42.96113 1.55418 1.85254 -42.85921 604.07745
|
|
MELTING PROCESS: loop number 3 T-loop= 599.00000000000000
|
|
main_MD> interactions number 3 at Temperature= 599.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.04369 0.36568 -3.13886
|
|
force_rgl> df(natom) 4.12829 0.26082 0.60693
|
|
505.0000 -44.22755 -42.91077 1.31679 1.86109 -42.79837 613.47390
|
|
510.0000 -44.29591 -42.94417 1.35173 1.83585 -42.97809 584.19235
|
|
515.0000 -44.41834 -42.54148 1.87687 1.84044 -42.94539 591.63886
|
|
520.0000 -43.95479 -42.70302 1.25178 1.87999 -42.66375 623.51282
|
|
525.0000 -44.55629 -43.22206 1.33422 1.86845 -42.74596 641.94271
|
|
530.0000 -44.74182 -43.07920 1.66262 1.80442 -43.20188 545.51693
|
|
535.0000 -44.56393 -43.12990 1.43404 1.79802 -43.24743 543.66740
|
|
540.0000 -44.05446 -42.36871 1.68575 1.84844 -42.88840 605.30004
|
|
545.0000 -44.28273 -42.81142 1.47131 1.88243 -42.64640 606.55831
|
|
550.0000 -44.40195 -43.44130 0.96065 1.79264 -43.28576 541.67552
|
|
555.0000 -44.62556 -43.80673 0.81883 1.73061 -43.72740 456.59889
|
|
560.0000 -44.89518 -43.65823 1.23695 1.74541 -43.62204 477.54370
|
|
565.0000 -44.68139 -43.64053 1.04086 1.74642 -43.61483 469.16344
|
|
570.0000 -44.51117 -43.37329 1.13788 1.72902 -43.73872 442.79905
|
|
575.0000 -44.60044 -42.98974 1.61070 1.82201 -43.07659 593.93813
|
|
580.0000 -44.41770 -42.92786 1.48985 1.85802 -42.82023 608.05023
|
|
585.0000 -44.55539 -43.26611 1.28928 1.81721 -43.11080 559.51209
|
|
590.0000 -44.35154 -42.65602 1.69552 1.80180 -43.22051 542.24954
|
|
595.0000 -44.39208 -42.87180 1.52028 1.85639 -42.83186 613.79740
|
|
600.0000 -44.63070 -43.17840 1.45230 1.82591 -43.04888 581.64619
|
|
605.0000 -44.35319 -42.71511 1.63808 1.86259 -42.78765 618.94906
|
|
610.0000 -43.48875 -42.32789 1.16086 1.88301 -42.64231 635.10028
|
|
615.0000 -44.00313 -42.18273 1.82040 1.91992 -42.37945 647.02710
|
|
620.0000 -43.89567 -42.80250 1.09317 1.93918 -42.24233 683.23241
|
|
625.0000 -44.28326 -42.97652 1.30675 1.86014 -42.80509 611.59992
|
|
630.0000 -44.31274 -42.63188 1.68086 1.85019 -42.87600 595.63479
|
|
635.0000 -44.55046 -43.16688 1.38358 1.85671 -42.82953 614.13057
|
|
640.0000 -44.32249 -42.55716 1.76533 1.86816 -42.74805 639.84900
|
|
645.0000 -43.98848 -42.64134 1.34713 1.89182 -42.57951 642.94841
|
|
650.0000 -44.41043 -43.42759 0.98284 1.83098 -43.01277 500.47511
|
|
655.0000 -44.04393 -42.75280 1.29113 1.82486 -43.05632 491.82362
|
|
660.0000 -44.19997 -43.22530 0.97467 1.83522 -42.98252 536.00525
|
|
665.0000 -43.87894 -42.85879 1.02015 1.87750 -42.68152 556.94183
|
|
670.0000 -44.17337 -43.02736 1.14601 1.83494 -42.98456 504.02297
|
|
675.0000 -43.60781 -42.12848 1.47933 1.90220 -42.50562 607.17000
|
|
680.0000 -43.59299 -41.73088 1.86210 1.96229 -42.07779 659.38511
|
|
685.0000 -42.95630 -41.17812 1.77818 1.98749 -41.89836 689.64602
|
|
690.0000 -43.16118 -41.63862 1.52256 2.08089 -41.23330 850.65359
|
|
695.0000 -43.60385 -41.98446 1.61939 2.01178 -41.72541 701.15703
|
|
700.0000 -43.43657 -41.90215 1.53442 1.99488 -41.84573 682.05467
|
|
705.0000 -43.64941 -41.84515 1.80426 1.98893 -41.88805 713.32045
|
|
710.0000 -43.42392 -41.95132 1.47259 1.96809 -42.03645 712.70979
|
|
715.0000 -44.23290 -42.65377 1.57912 1.91904 -42.38574 623.69080
|
|
720.0000 -44.15009 -42.81100 1.33909 1.86471 -42.77257 549.21908
|
|
725.0000 -44.58928 -43.17584 1.41343 1.82789 -43.03472 518.10223
|
|
730.0000 -44.25113 -42.88296 1.36818 1.83815 -42.96170 497.61518
|
|
735.0000 -43.99577 -42.73687 1.25890 1.86310 -42.78408 531.68543
|
|
740.0000 -43.90376 -42.35354 1.55022 1.92802 -42.32176 617.75438
|
|
745.0000 -43.93674 -42.16492 1.77182 1.94587 -42.19471 659.91288
|
|
750.0000 -43.25341 -41.55928 1.69413 1.95388 -42.13769 728.78954
|
|
MELTING PROCESS: loop number 4 T-loop= 699.00000000000000
|
|
main_MD> interactions number 4 at Temperature= 699.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 2.51330 -3.43889 -1.03737
|
|
force_rgl> df(natom) -1.25981 -2.27525 3.16152
|
|
755.0000 -43.00814 -41.46625 1.54189 2.01429 -41.70754 716.96295
|
|
760.0000 -43.44585 -41.21549 2.23036 2.04027 -41.52256 737.84821
|
|
765.0000 -42.54305 -40.47022 2.07282 2.12844 -40.89472 862.52822
|
|
770.0000 -42.92449 -41.16450 1.75999 2.15655 -40.69455 869.14032
|
|
775.0000 -43.45192 -42.14932 1.30259 2.01143 -41.72786 765.60950
|
|
780.0000 -43.69777 -42.31518 1.38259 1.96096 -42.08727 663.57654
|
|
785.0000 -43.80477 -42.27290 1.53187 1.94917 -42.17117 667.01988
|
|
790.0000 -42.87608 -41.52271 1.35337 2.03345 -41.57111 721.05741
|
|
795.0000 -42.76681 -40.89289 1.87392 2.06146 -41.37164 774.82861
|
|
800.0000 -42.84587 -40.92531 1.92056 2.09227 -41.15225 732.17283
|
|
805.0000 -43.48513 -41.42506 2.06007 2.14065 -40.80782 877.01711
|
|
810.0000 -44.25674 -42.64083 1.61590 1.95764 -42.11091 644.60105
|
|
815.0000 -43.84962 -42.32959 1.52003 1.91558 -42.41035 600.88042
|
|
820.0000 -43.32555 -41.84586 1.47968 2.01659 -41.69112 697.99687
|
|
825.0000 -43.45079 -41.54753 1.90327 2.00477 -41.77528 721.58118
|
|
830.0000 -44.38764 -42.62377 1.76387 1.99163 -41.86888 680.32884
|
|
835.0000 -43.25942 -41.70279 1.55663 1.92002 -42.37874 588.47942
|
|
840.0000 -42.76033 -41.34575 1.41458 2.01733 -41.68585 723.84407
|
|
845.0000 -43.03310 -40.99015 2.04296 2.08334 -41.21589 820.56478
|
|
850.0000 -44.28894 -42.79107 1.49788 1.97028 -42.02091 658.10188
|
|
855.0000 -44.02878 -42.50735 1.52143 1.89787 -42.53648 598.71720
|
|
860.0000 -42.90919 -41.88860 1.02059 1.97154 -42.01189 657.76852
|
|
865.0000 -42.84164 -41.20965 1.63199 2.03055 -41.59177 743.92089
|
|
870.0000 -43.16204 -40.67443 2.48761 2.10559 -41.05743 803.33038
|
|
875.0000 -43.33408 -41.57724 1.75684 2.11253 -41.00798 783.31425
|
|
880.0000 -43.34262 -41.77711 1.56552 2.00743 -41.75639 713.20173
|
|
885.0000 -43.48400 -41.86287 1.62113 2.02626 -41.62227 730.53143
|
|
890.0000 -42.70484 -40.45873 2.24612 2.14674 -40.76444 858.44243
|
|
895.0000 -43.21926 -41.62231 1.59695 2.09161 -41.15699 803.88145
|
|
900.0000 -42.93681 -41.65830 1.27852 2.02879 -41.60426 712.71745
|
|
905.0000 -44.00391 -41.11477 2.88914 2.04854 -41.46366 765.84940
|
|
910.0000 -43.07039 -41.05179 2.01860 2.06591 -41.33995 740.73027
|
|
915.0000 -43.50052 -41.59022 1.91030 2.00584 -41.76772 729.85439
|
|
920.0000 -43.44837 -41.52925 1.91913 2.06124 -41.37320 708.02003
|
|
925.0000 -43.39583 -40.96773 2.42811 2.06382 -41.35484 779.67684
|
|
930.0000 -43.60947 -41.01978 2.58969 2.11864 -40.96447 778.36635
|
|
935.0000 -43.69419 -41.93040 1.76378 2.02941 -41.59988 746.26003
|
|
940.0000 -43.52109 -41.77050 1.75059 1.95881 -42.10253 718.77429
|
|
945.0000 -43.78137 -42.23899 1.54238 1.95315 -42.14287 645.49707
|
|
950.0000 -44.02040 -42.50692 1.51348 1.90091 -42.51484 566.63350
|
|
955.0000 -43.84795 -42.24093 1.60702 1.93300 -42.28633 663.78224
|
|
960.0000 -43.56458 -42.16965 1.39493 1.92156 -42.36780 602.28849
|
|
965.0000 -43.92115 -42.05530 1.86585 1.94987 -42.16622 661.55766
|
|
970.0000 -43.52760 -41.84375 1.68384 1.96578 -42.05294 626.97518
|
|
975.0000 -43.98339 -42.43851 1.54489 1.97038 -42.02016 659.03715
|
|
980.0000 -43.45641 -41.86401 1.59240 1.94223 -42.22062 641.28275
|
|
985.0000 -43.87451 -41.30479 2.56972 2.04840 -41.46465 704.36227
|
|
990.0000 -43.48601 -41.56876 1.91724 2.03669 -41.54803 768.24071
|
|
995.0000 -43.78212 -41.90072 1.88140 2.02200 -41.65258 702.69084
|
|
1000.0000 -44.11484 -42.63096 1.48389 1.93276 -42.28802 629.32443
|
|
MELTING PROCESS: loop number 5 T-loop= 799.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 799.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.18239 -3.14620 -0.83237
|
|
force_rgl> df(natom) 0.15295 0.46219 0.81600
|
|
1005.0000 -43.46543 -41.47380 1.99162 2.00676 -41.76116 760.59175
|
|
1010.0000 -43.33560 -41.19593 2.13967 2.05394 -41.42518 790.30124
|
|
1015.0000 -43.25673 -41.19091 2.06582 2.09645 -41.12247 800.12253
|
|
1020.0000 -43.35452 -41.00916 2.34536 2.05032 -41.45100 768.08205
|
|
1025.0000 -44.04394 -41.60422 2.43972 2.06882 -41.31927 805.74147
|
|
1030.0000 -43.06932 -41.78436 1.28496 2.01798 -41.68126 760.32061
|
|
1035.0000 -42.88742 -41.37386 1.51356 2.11037 -41.02338 753.76530
|
|
1040.0000 -43.70556 -41.58486 2.12070 2.01702 -41.68807 741.62077
|
|
1045.0000 -43.03236 -41.87658 1.15578 2.00039 -41.80648 704.90180
|
|
1050.0000 -43.18148 -41.70352 1.47796 2.00600 -41.76656 713.41370
|
|
1055.0000 -42.75591 -40.90446 1.85145 2.08501 -41.20395 763.42779
|
|
1060.0000 -43.56119 -41.27535 2.28584 2.09969 -41.09944 744.06977
|
|
1065.0000 -43.46697 -41.51042 1.95655 2.06384 -41.35470 740.73508
|
|
1070.0000 -43.13526 -41.60783 1.52743 2.03016 -41.59452 699.70675
|
|
1075.0000 -43.20042 -41.41748 1.78295 2.03369 -41.56938 739.70024
|
|
1080.0000 -42.77123 -41.00288 1.76835 2.10048 -41.09381 835.40093
|
|
1085.0000 -43.44601 -40.97197 2.47404 2.14910 -40.74763 872.66801
|
|
1090.0000 -42.86199 -40.84285 2.01914 2.10762 -41.04297 858.26374
|
|
1095.0000 -42.26670 -40.68779 1.57891 2.15868 -40.67941 808.35121
|
|
1100.0000 -42.65100 -40.54222 2.10878 2.18038 -40.52492 796.76254
|
|
1105.0000 -43.32014 -41.35958 1.96056 2.11235 -41.00927 839.22308
|
|
1110.0000 -43.65730 -41.69968 1.95762 2.03264 -41.57684 753.00954
|
|
1115.0000 -43.48803 -41.41799 2.07004 2.05921 -41.38765 754.63781
|
|
1120.0000 -43.34245 -41.35868 1.98377 2.02330 -41.64334 729.95368
|
|
1125.0000 -42.65518 -40.84875 1.80643 2.11375 -40.99936 801.00912
|
|
1130.0000 -43.13041 -41.29961 1.83080 2.15558 -40.70144 889.77784
|
|
1135.0000 -43.70374 -42.25777 1.44597 1.96272 -42.07469 699.59424
|
|
1140.0000 -43.44805 -41.78413 1.66393 1.94939 -42.16964 645.58129
|
|
1145.0000 -43.67683 -41.81156 1.86527 2.02642 -41.62112 771.06680
|
|
1150.0000 -43.01866 -41.43398 1.58468 1.98405 -41.92285 666.59770
|
|
1155.0000 -43.60758 -41.86169 1.74588 2.04531 -41.48667 720.93099
|
|
1160.0000 -43.41040 -42.09463 1.31578 2.03264 -41.57687 753.95825
|
|
1165.0000 -44.03826 -41.95239 2.08587 1.96426 -42.06378 664.16332
|
|
1170.0000 -43.50220 -42.14036 1.36183 1.98124 -41.94284 690.12532
|
|
1175.0000 -43.41857 -41.43949 1.97909 2.01040 -41.73524 694.83165
|
|
1180.0000 -42.43038 -40.61717 1.81320 2.06138 -41.37224 763.11137
|
|
1185.0000 -43.22388 -41.67617 1.54771 2.10281 -41.07723 854.74851
|
|
1190.0000 -43.51386 -41.26249 2.25137 2.06613 -41.33836 811.99777
|
|
1195.0000 -43.45906 -41.86085 1.59820 2.02390 -41.63907 726.11622
|
|
1200.0000 -43.14812 -41.23145 1.91667 2.07330 -41.28731 782.71397
|
|
1205.0000 -42.21659 -40.36886 1.84773 2.10470 -41.06376 785.29054
|
|
1210.0000 -42.55379 -40.07528 2.47851 2.18816 -40.46949 898.74068
|
|
1215.0000 -42.50058 -40.04197 2.45861 2.22718 -40.19165 978.11756
|
|
1220.0000 -43.07469 -40.81611 2.25857 2.20852 -40.32450 982.12886
|
|
1225.0000 -43.65734 -41.89927 1.75808 2.10238 -41.08031 848.02688
|
|
1230.0000 -43.21740 -41.47638 1.74102 2.05367 -41.42709 741.13853
|
|
1235.0000 -43.56474 -41.78905 1.77568 2.04473 -41.49075 785.71684
|
|
1240.0000 -43.31481 -40.99230 2.32251 2.03073 -41.59048 768.85218
|
|
1245.0000 -42.96340 -41.04483 1.91857 2.08334 -41.21584 762.73759
|
|
1250.0000 -43.56070 -41.55539 2.00531 2.07254 -41.29273 796.11659
|
|
MELTING PROCESS: loop number 6 T-loop= 899.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 899.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 3.00674 -0.74539 -0.16269
|
|
force_rgl> df(natom) -1.69479 1.43912 -1.03782
|
|
1255.0000 -43.44522 -41.01372 2.43150 2.09539 -41.13006 825.42442
|
|
1260.0000 -43.02691 -40.35924 2.66767 2.20183 -40.37219 912.24810
|
|
1265.0000 -42.98778 -41.19508 1.79270 2.09049 -41.16496 812.74918
|
|
1270.0000 -42.54967 -40.00597 2.54370 2.19712 -40.40568 892.93667
|
|
1275.0000 -41.77951 -39.64801 2.13150 2.25149 -40.01860 922.65009
|
|
1280.0000 -42.50815 -40.05036 2.45779 2.23369 -40.14529 965.25015
|
|
1285.0000 -43.29792 -40.90085 2.39707 2.15251 -40.72331 865.20311
|
|
1290.0000 -43.13947 -41.08587 2.05359 2.08781 -41.18403 779.96537
|
|
1295.0000 -43.06710 -41.40823 1.65886 2.06987 -41.31174 791.58482
|
|
1300.0000 -42.98612 -41.05924 1.92688 2.08039 -41.23686 836.01336
|
|
1305.0000 -43.61155 -41.31035 2.30120 2.08808 -41.18209 760.22857
|
|
1310.0000 -42.53829 -41.09275 1.44555 2.12710 -40.90430 821.96809
|
|
1315.0000 -43.47435 -42.08072 1.39363 2.04429 -41.49387 766.28318
|
|
1320.0000 -43.20889 -40.87797 2.33092 2.04959 -41.45617 782.00207
|
|
1325.0000 -43.42892 -41.55844 1.87047 2.05559 -41.41343 843.18652
|
|
1330.0000 -43.45055 -40.41331 3.03723 2.14130 -40.80317 889.43366
|
|
1335.0000 -42.70854 -40.53014 2.17840 2.19510 -40.42009 945.57476
|
|
1340.0000 -43.00589 -40.74490 2.26098 2.12228 -40.93857 818.48412
|
|
1345.0000 -42.88487 -40.39878 2.48609 2.12675 -40.90675 873.77830
|
|
1350.0000 -43.19737 -40.58110 2.61627 2.16310 -40.64796 899.52531
|
|
1355.0000 -42.53283 -40.33765 2.19518 2.22650 -40.19648 1011.60737
|
|
1360.0000 -43.36460 -40.35695 3.00765 2.21792 -40.25756 934.57219
|
|
1365.0000 -42.72845 -40.98889 1.73956 2.16914 -40.60496 903.56913
|
|
1370.0000 -43.17129 -40.64088 2.53041 2.14679 -40.76405 865.14300
|
|
1375.0000 -43.21673 -40.50156 2.71517 2.10832 -41.03797 796.20291
|
|
1380.0000 -42.64888 -38.92547 3.72341 2.33993 -39.38883 1145.91100
|
|
1385.0000 -42.73587 -40.22898 2.50689 2.28641 -39.76992 984.31371
|
|
1390.0000 -43.00175 -40.54876 2.45300 2.23684 -40.12287 918.91429
|
|
1395.0000 -42.30818 -39.43011 2.87807 2.28107 -39.80796 968.75751
|
|
1400.0000 -42.42637 -39.87588 2.55049 2.21682 -40.26545 966.82466
|
|
1405.0000 -43.02568 -40.68986 2.33582 2.21224 -40.29801 957.70635
|
|
1410.0000 -42.43054 -39.93637 2.49417 2.23228 -40.15534 907.17842
|
|
1415.0000 -42.83621 -39.81054 3.02567 2.25477 -39.99524 891.19588
|
|
1420.0000 -43.19155 -41.12100 2.07055 2.13847 -40.82332 860.35731
|
|
1425.0000 -42.86006 -41.03440 1.82566 2.06330 -41.35851 752.68842
|
|
1430.0000 -42.56409 -40.80394 1.76015 2.15910 -40.67638 889.76029
|
|
1435.0000 -42.19010 -40.22957 1.96053 2.12423 -40.92470 833.37142
|
|
1440.0000 -42.96099 -39.69058 3.27041 2.30348 -39.64838 1037.66289
|
|
1445.0000 -41.61288 -39.21665 2.39623 2.32937 -39.46403 1055.88047
|
|
1450.0000 -42.16588 -39.56624 2.59964 2.38500 -39.06790 1047.82329
|
|
1455.0000 -41.77554 -39.20652 2.56902 2.34205 -39.37377 1024.73593
|
|
1460.0000 -41.74754 -39.65681 2.09073 2.29474 -39.71064 951.14289
|
|
1465.0000 -42.67758 -39.61823 3.05935 2.25907 -39.96462 977.99235
|
|
1470.0000 -41.63254 -38.72611 2.90643 2.35957 -39.24903 1043.55697
|
|
1475.0000 -42.28687 -39.98118 2.30569 2.31617 -39.55799 999.65571
|
|
1480.0000 -43.01288 -40.67889 2.33399 2.21126 -40.30498 922.33753
|
|
1485.0000 -42.86121 -40.55910 2.30211 2.16397 -40.64177 908.90461
|
|
1490.0000 -42.68685 -40.07732 2.60953 2.23545 -40.13275 943.87762
|
|
1495.0000 -43.06258 -40.87397 2.18861 2.21462 -40.28110 974.96806
|
|
1500.0000 -42.53097 -40.47168 2.05929 2.18846 -40.46735 937.41329
|
|
MELTING PROCESS: loop number 7 T-loop= 999.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 999.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.85716 -0.53187 2.75022
|
|
force_rgl> df(natom) 1.63265 2.61057 0.04616
|
|
1505.0000 -43.06604 -39.68256 3.38348 2.20071 -40.38017 940.57793
|
|
1510.0000 -42.35007 -39.50134 2.84873 2.25246 -40.01167 1009.39291
|
|
1515.0000 -43.27897 -40.34182 2.93715 2.28596 -39.77312 1017.42252
|
|
1520.0000 -41.10115 -38.42792 2.67323 2.40962 -38.89260 1118.61872
|
|
1525.0000 -42.25538 -39.51288 2.74250 2.30708 -39.62276 1011.39490
|
|
1530.0000 -41.93640 -38.75354 3.18285 2.33918 -39.39419 1131.81235
|
|
1535.0000 -41.68115 -39.67820 2.00296 2.44386 -38.64885 1191.17145
|
|
1540.0000 -42.45400 -40.37577 2.07823 2.22504 -40.20690 917.88078
|
|
1545.0000 -42.49340 -39.41725 3.07615 2.22387 -40.21525 988.65095
|
|
1550.0000 -41.97003 -39.90479 2.06525 2.28017 -39.81432 944.36763
|
|
1555.0000 -42.37164 -39.19402 3.17762 2.44880 -38.61367 1193.52715
|
|
1560.0000 -41.25837 -38.58627 2.67210 2.40614 -38.91741 1164.36951
|
|
1565.0000 -43.01125 -41.05951 1.95174 2.29771 -39.68943 1091.97305
|
|
1570.0000 -42.65745 -39.19231 3.46514 2.26566 -39.91768 989.93174
|
|
1575.0000 -43.16665 -40.27316 2.89349 2.31003 -39.60171 1072.80554
|
|
1580.0000 -42.47624 -40.60901 1.86724 2.23428 -40.14112 952.91812
|
|
1585.0000 -42.99982 -41.23314 1.76668 2.09980 -41.09866 819.25986
|
|
1590.0000 -42.24201 -40.43891 1.80310 2.13445 -40.85194 843.79234
|
|
1595.0000 -42.96107 -39.96494 2.99613 2.18297 -40.50647 968.80141
|
|
1600.0000 -42.99173 -40.34654 2.64519 2.17624 -40.55440 878.21272
|
|
1605.0000 -43.06927 -41.48081 1.58846 2.09931 -41.10217 836.41901
|
|
1610.0000 -42.50184 -40.36242 2.13942 2.15148 -40.73065 869.58991
|
|
1615.0000 -42.92165 -40.98922 1.93243 2.22330 -40.21929 979.48089
|
|
1620.0000 -43.01798 -40.69093 2.32705 2.15070 -40.73626 932.39951
|
|
1625.0000 -42.32108 -39.43174 2.88934 2.25129 -40.01999 995.48541
|
|
1630.0000 -42.25156 -39.72881 2.52275 2.28222 -39.79978 1072.35134
|
|
1635.0000 -40.66719 -37.82936 2.83783 2.35417 -39.28742 1133.86228
|
|
1640.0000 -41.74343 -37.87498 3.86845 2.51735 -38.12555 1285.05104
|
|
1645.0000 -42.61216 -39.31531 3.29685 2.46829 -38.47486 1243.95765
|
|
1650.0000 -42.72216 -40.88568 1.83648 2.23004 -40.17128 952.54176
|
|
1655.0000 -43.00853 -39.99694 3.01159 2.21168 -40.30203 951.76662
|
|
1660.0000 -42.04170 -39.15603 2.88567 2.28328 -39.79223 1007.47075
|
|
1665.0000 -41.62710 -38.61893 3.00817 2.41926 -38.82397 1239.72220
|
|
1670.0000 -42.88803 -41.38567 1.50236 2.22429 -40.21221 997.00825
|
|
1675.0000 -43.49530 -41.01585 2.47945 2.11274 -41.00649 885.39441
|
|
1680.0000 -42.45930 -39.30062 3.15868 2.20256 -40.36696 929.27486
|
|
1685.0000 -41.68159 -39.04684 2.63475 2.38247 -39.08593 1091.69465
|
|
1690.0000 -41.91103 -38.69996 3.21107 2.34382 -39.36115 1190.27478
|
|
1695.0000 -42.59538 -40.08770 2.50768 2.39851 -38.97175 1226.67205
|
|
1700.0000 -42.23659 -39.56277 2.67382 2.32880 -39.46808 1053.61725
|
|
1705.0000 -42.69141 -39.77282 2.91860 2.38072 -39.09842 1113.88557
|
|
1710.0000 -41.80159 -39.48737 2.31422 2.32723 -39.47926 1058.93861
|
|
1715.0000 -42.69365 -40.71043 1.98322 2.26544 -39.91922 977.86741
|
|
1720.0000 -42.66198 -40.33522 2.32676 2.14285 -40.79211 885.66594
|
|
1725.0000 -43.12384 -40.06480 3.05904 2.25352 -40.00413 1003.98223
|
|
1730.0000 -43.09271 -40.65870 2.43402 2.15872 -40.67913 930.57731
|
|
1735.0000 -41.85425 -39.54156 2.31269 2.18449 -40.49565 908.26726
|
|
1740.0000 -42.95301 -40.20942 2.74358 2.28556 -39.77598 1040.32679
|
|
1745.0000 -41.84449 -39.10242 2.74207 2.30014 -39.67215 1074.64123
|
|
1750.0000 -42.26510 -39.25638 3.00872 2.34979 -39.31865 1019.88572
|
|
MELTING PROCESS: loop number 8 T-loop= 1099.0000000000000
|
|
main_MD> interactions number 8 at Temperature= 1099.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.23316 0.81109 0.37295
|
|
force_rgl> df(natom) 0.48995 2.95220 -0.55400
|
|
1755.0000 -42.45279 -40.38292 2.06987 2.29939 -39.67748 1010.89633
|
|
1760.0000 -41.15004 -38.39983 2.75020 2.28606 -39.77241 1004.49896
|
|
1765.0000 -40.55774 -38.25293 2.30481 2.45574 -38.56423 1174.58139
|
|
1770.0000 -41.68516 -37.12316 4.56201 2.55097 -37.88613 1335.06769
|
|
1775.0000 -41.52179 -38.31023 3.21156 2.51790 -38.12164 1331.76158
|
|
1780.0000 -42.32610 -39.66862 2.65748 2.41991 -38.81932 1157.23998
|
|
1785.0000 -42.65219 -40.70240 1.94979 2.21436 -40.28291 941.00960
|
|
1790.0000 -41.92737 -39.48919 2.43818 2.29348 -39.71958 1060.07484
|
|
1795.0000 -42.59358 -39.81953 2.77405 2.29335 -39.72052 1083.72389
|
|
1800.0000 -42.50113 -38.97276 3.52837 2.33935 -39.39297 1123.34907
|
|
1805.0000 -42.96229 -40.90456 2.05774 2.24555 -40.06086 1020.96251
|
|
1810.0000 -42.92308 -40.70167 2.22141 2.23816 -40.11349 1002.94147
|
|
1815.0000 -42.55836 -40.17187 2.38649 2.19194 -40.44258 918.03807
|
|
1820.0000 -42.14165 -39.82187 2.31978 2.20598 -40.34260 949.78683
|
|
1825.0000 -41.89706 -39.16829 2.72877 2.27929 -39.82064 1051.98428
|
|
1830.0000 -41.17154 -37.71310 3.45844 2.42247 -38.80112 1224.37778
|
|
1835.0000 -41.21038 -38.73220 2.47818 2.47026 -38.46087 1218.65056
|
|
1840.0000 -41.86739 -39.72544 2.14195 2.34015 -39.38724 1068.74552
|
|
1845.0000 -41.91759 -38.47029 3.44730 2.39029 -39.03026 1063.52246
|
|
1850.0000 -41.54788 -38.77078 2.77710 2.42752 -38.76518 1204.69101
|
|
1855.0000 -41.83296 -38.69255 3.14041 2.34893 -39.32478 1064.31296
|
|
1860.0000 -41.15749 -38.58771 2.56978 2.42382 -38.79149 1122.69384
|
|
1865.0000 -40.68350 -38.29658 2.38692 2.45332 -38.58145 1170.62221
|
|
1870.0000 -42.33563 -38.98176 3.35387 2.46647 -38.48783 1256.23346
|
|
1875.0000 -41.10212 -38.49581 2.60631 2.43872 -38.68540 1199.37736
|
|
1880.0000 -42.30743 -38.40291 3.90452 2.45380 -38.57802 1220.01547
|
|
1885.0000 -41.31230 -39.08531 2.22699 2.41499 -38.85441 1174.67481
|
|
1890.0000 -41.36137 -39.18554 2.17584 2.38034 -39.10108 1135.65095
|
|
1895.0000 -41.00264 -38.25653 2.74610 2.37762 -39.12048 1106.10309
|
|
1900.0000 -41.62916 -39.32311 2.30605 2.38843 -39.04353 1227.61917
|
|
1905.0000 -42.26134 -39.55488 2.70646 2.32528 -39.49316 1057.79749
|
|
1910.0000 -41.73856 -38.81564 2.92293 2.35883 -39.25425 1111.36381
|
|
1915.0000 -41.14422 -38.62058 2.52364 2.38210 -39.08860 1130.30402
|
|
1920.0000 -42.55297 -39.65685 2.89612 2.36792 -39.18952 1139.72425
|
|
1925.0000 -42.63599 -40.24743 2.38856 2.21689 -40.26492 1004.28087
|
|
1930.0000 -42.46092 -40.03938 2.42154 2.22095 -40.23600 885.24537
|
|
1935.0000 -42.74876 -40.10400 2.64476 2.25258 -40.01079 912.88752
|
|
1940.0000 -41.96347 -38.87071 3.09277 2.40406 -38.93222 1202.14885
|
|
1945.0000 -42.22966 -39.44748 2.78218 2.37394 -39.14669 1160.41772
|
|
1950.0000 -41.73992 -38.96962 2.77030 2.39386 -39.00481 1128.40829
|
|
1955.0000 -42.33268 -40.04389 2.28880 2.39334 -39.00856 1169.90377
|
|
1960.0000 -41.75766 -39.14811 2.60955 2.34036 -39.38578 1098.47208
|
|
1965.0000 -41.87643 -39.30059 2.57583 2.32012 -39.52989 1053.21037
|
|
1970.0000 -41.63832 -38.96538 2.67294 2.43787 -38.69148 1179.06514
|
|
1975.0000 -40.98522 -38.12682 2.85839 2.42677 -38.77048 1046.23374
|
|
1980.0000 -41.57901 -39.24636 2.33265 2.45837 -38.54549 1129.32292
|
|
1985.0000 -41.61620 -39.40016 2.21604 2.35305 -39.29544 1096.97362
|
|
1990.0000 -40.91037 -37.93624 2.97413 2.45641 -38.55943 1212.48574
|
|
1995.0000 -41.64177 -38.90579 2.73598 2.40135 -38.95148 1061.87758
|
|
2000.0000 -41.57915 -39.48115 2.09800 2.31333 -39.57825 1071.27350
|
|
MELTING PROCESS: loop number 9 T-loop= 1199.0000000000000
|
|
main_MD> interactions number 9 at Temperature= 1199.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.04986 0.91491 3.12693
|
|
force_rgl> df(natom) 3.66561 -0.08464 -2.02838
|
|
2005.0000 -41.83210 -39.13081 2.70129 2.39770 -38.97748 1128.94614
|
|
2010.0000 -41.80768 -38.79937 3.00831 2.46572 -38.49317 1174.64572
|
|
2015.0000 -41.48504 -38.56391 2.92113 2.46429 -38.50333 1237.77234
|
|
2020.0000 -42.01963 -38.57991 3.43972 2.42384 -38.79134 1225.68692
|
|
2025.0000 -40.71682 -37.04680 3.67002 2.52131 -38.09737 1230.08202
|
|
2030.0000 -41.16472 -38.82257 2.34215 2.53402 -38.00686 1159.88113
|
|
2035.0000 -39.97849 -37.09261 2.88588 2.46621 -38.48965 1278.79021
|
|
2040.0000 -41.16772 -38.29507 2.87265 2.58108 -37.67178 1377.64993
|
|
2045.0000 -40.79021 -37.06357 3.72663 2.51361 -38.15215 1186.32810
|
|
2050.0000 -42.32567 -39.81379 2.51187 2.46333 -38.51019 1259.55218
|
|
2055.0000 -41.74629 -38.93189 2.81440 2.40846 -38.90088 1202.07201
|
|
2060.0000 -41.71807 -38.34407 3.37400 2.42598 -38.77610 1191.70044
|
|
2065.0000 -40.84100 -37.66298 3.17802 2.60523 -37.49979 1378.70803
|
|
2070.0000 -42.33349 -39.49576 2.83773 2.43374 -38.72088 1186.71337
|
|
2075.0000 -41.78233 -38.18261 3.59972 2.45626 -38.56052 1276.44412
|
|
2080.0000 -40.38154 -38.17195 2.20959 2.49516 -38.28354 1211.84370
|
|
2085.0000 -41.13632 -37.63124 3.50508 2.56532 -37.78395 1245.89055
|
|
2090.0000 -40.27922 -37.23125 3.04798 2.58999 -37.60828 1357.41439
|
|
2095.0000 -42.01590 -37.27095 4.74495 2.59809 -37.55068 1337.56632
|
|
2100.0000 -41.37901 -36.96175 4.41725 2.61022 -37.46427 1393.21421
|
|
2105.0000 -42.36361 -39.08747 3.27615 2.55496 -37.85772 1330.67505
|
|
2110.0000 -41.96614 -39.31144 2.65470 2.41665 -38.84253 1248.02404
|
|
2115.0000 -41.70491 -39.08369 2.62122 2.44857 -38.61530 1185.97930
|
|
2120.0000 -41.67700 -39.43079 2.24621 2.32597 -39.48826 1055.48364
|
|
2125.0000 -40.49849 -37.66379 2.83469 2.55707 -37.84271 1255.40483
|
|
2130.0000 -42.06146 -39.38010 2.68136 2.51273 -38.15847 1254.60124
|
|
2135.0000 -41.30243 -38.17230 3.13013 2.42115 -38.81053 1151.95750
|
|
2140.0000 -41.54899 -39.16376 2.38522 2.39881 -38.96962 1205.87546
|
|
2145.0000 -41.93751 -38.94214 2.99537 2.33568 -39.41911 1147.42904
|
|
2150.0000 -41.68366 -38.54590 3.13776 2.44865 -38.61469 1220.54537
|
|
2155.0000 -41.75760 -39.36031 2.39729 2.37890 -39.11132 1157.57937
|
|
2160.0000 -42.16198 -38.94494 3.21704 2.37055 -39.17078 1142.87295
|
|
2165.0000 -41.41686 -38.81429 2.60258 2.49401 -38.29177 1195.17644
|
|
2170.0000 -41.97522 -38.64379 3.33143 2.36201 -39.23164 1111.58994
|
|
2175.0000 -41.90581 -39.63873 2.26709 2.43787 -38.69146 1241.48379
|
|
2180.0000 -42.73239 -40.77744 1.95495 2.28456 -39.78308 1013.00354
|
|
2185.0000 -43.42762 -40.56548 2.86214 2.22703 -40.19271 1031.25946
|
|
2190.0000 -41.52889 -39.63432 1.89457 2.41201 -38.87558 1131.96519
|
|
2195.0000 -41.89530 -39.26944 2.62586 2.32888 -39.46752 1018.50738
|
|
2200.0000 -42.92392 -40.00637 2.91755 2.33886 -39.39648 1059.10881
|
|
2205.0000 -42.24415 -39.39128 2.85287 2.24040 -40.09754 961.47533
|
|
2210.0000 -42.37747 -39.84110 2.53638 2.36185 -39.23278 1111.44274
|
|
2215.0000 -42.73988 -40.28253 2.45735 2.29622 -39.70006 970.14115
|
|
2220.0000 -42.29213 -39.68170 2.61043 2.26965 -39.88929 1000.78333
|
|
2225.0000 -41.45026 -38.77295 2.67730 2.30906 -39.60867 1045.87733
|
|
2230.0000 -41.55731 -37.99466 3.56265 2.46766 -38.47933 1200.28651
|
|
2235.0000 -42.18777 -38.30716 3.88062 2.51897 -38.11400 1304.18689
|
|
2240.0000 -41.49570 -38.68386 2.81185 2.50787 -38.19308 1312.71744
|
|
2245.0000 -42.31615 -39.92894 2.38721 2.39593 -38.99009 1174.99399
|
|
2250.0000 -41.55710 -38.93802 2.61908 2.31672 -39.55412 947.78850
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 0 [min], 35.7574394 [s].
|
|
main_MD> Deallocating global variables
|