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_56.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 = 56 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: 56 5600
|
|
main_MD> Size of nv and nvoiz: 56 5600
|
|
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 = 56
|
|
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> 5.5089341228246269E-002 6.6854319767351456E-002 -4.2265700782712044E-002 initial drift of cluster / NP1 for coalescence
|
|
init> 0.34027374034589458 0.37218036245266389 0.30440685948209589 scaling for velocity /for coalescence NP1
|
|
init.f90 > facguy = 1.8346534378327240E-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) -0.28382 0.19583 -2.13799
|
|
force_rgl> df(natom) 1.65077 1.66742 0.49217
|
|
preparo> THERMALIZATION PROCESS AT 291.87316969227453
|
|
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
|
|
5000 -139.59859713159861 2.7786067119618880 -142.37720384356049 3.7488451528535038E-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= 392.00000000000000
|
|
main_MD> interactions number 1 at Temperature= 392.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.36008 1.14769 -1.15436
|
|
force_rgl> df(natom) -0.30955 0.38148 0.59529
|
|
5.0000 -141.75766 -139.44488 2.31279 1.75079 -139.57333 342.80995
|
|
10.0000 -142.12292 -139.70955 2.41337 1.76877 -139.31005 360.89124
|
|
15.0000 -141.94109 -139.04679 2.89430 1.78169 -139.12094 371.86109
|
|
20.0000 -141.37672 -138.47229 2.90443 1.81542 -138.62732 400.63603
|
|
25.0000 -141.44322 -138.56609 2.87713 1.82361 -138.50749 405.63645
|
|
30.0000 -141.79692 -138.36079 3.43613 1.83133 -138.39443 413.72596
|
|
35.0000 -140.80153 -138.10891 2.69262 1.84865 -138.14085 435.77087
|
|
40.0000 -141.56065 -139.08157 2.47908 1.81209 -138.67601 402.04343
|
|
45.0000 -141.33849 -138.73380 2.60469 1.78809 -139.02729 371.26240
|
|
50.0000 -142.06992 -138.72521 3.34472 1.81008 -138.70543 400.82060
|
|
55.0000 -141.54953 -138.38880 3.16073 1.82059 -138.55169 409.33280
|
|
60.0000 -142.15358 -139.71389 2.43969 1.79655 -138.90355 388.42920
|
|
65.0000 -141.76659 -138.63664 3.12995 1.78979 -139.00248 381.20723
|
|
70.0000 -141.63946 -138.65338 2.98608 1.81917 -138.57243 407.28788
|
|
75.0000 -141.79930 -139.43299 2.36631 1.80263 -138.81450 395.64191
|
|
80.0000 -141.36810 -139.06856 2.29954 1.78304 -139.10128 375.86661
|
|
85.0000 -141.57833 -138.33105 3.24728 1.78722 -139.04012 380.93603
|
|
90.0000 -141.77530 -139.30001 2.47529 1.81851 -138.58212 403.66452
|
|
95.0000 -141.47217 -138.59779 2.87438 1.78340 -139.09595 372.96753
|
|
100.0000 -141.46803 -138.75480 2.71323 1.79938 -138.86211 388.39553
|
|
105.0000 -141.45754 -139.46556 1.99198 1.77966 -139.15066 370.12717
|
|
110.0000 -142.16291 -139.30448 2.85843 1.76844 -139.31501 356.39635
|
|
115.0000 -141.93772 -139.07595 2.86176 1.80469 -138.78429 390.65971
|
|
120.0000 -141.38791 -138.36541 3.02250 1.81765 -138.59461 402.59957
|
|
125.0000 -141.78375 -138.73682 3.04693 1.81511 -138.63186 402.87338
|
|
130.0000 -141.14261 -138.50184 2.64077 1.82434 -138.49679 404.08425
|
|
135.0000 -142.15519 -139.06878 3.08641 1.82306 -138.51547 409.49147
|
|
140.0000 -141.97377 -139.50830 2.46547 1.78202 -139.11611 370.60248
|
|
145.0000 -141.80468 -138.97359 2.83109 1.76384 -139.38226 353.29977
|
|
150.0000 -141.23012 -137.93169 3.29843 1.82783 -138.44564 416.46507
|
|
155.0000 -141.45379 -138.29296 3.16083 1.85174 -138.09571 444.80098
|
|
160.0000 -141.76457 -138.84883 2.91574 1.81635 -138.61366 410.96736
|
|
165.0000 -141.55732 -138.67424 2.88308 1.80521 -138.77680 393.39375
|
|
170.0000 -141.74391 -138.65910 3.08481 1.80874 -138.72514 398.58896
|
|
175.0000 -141.26146 -138.23508 3.02638 1.85794 -138.00489 440.80854
|
|
180.0000 -141.19129 -138.33076 2.86053 1.85104 -138.10588 440.03903
|
|
185.0000 -141.41021 -138.05102 3.35919 1.84977 -138.12445 439.04635
|
|
190.0000 -140.79440 -137.53377 3.26062 1.83997 -138.26797 430.43817
|
|
195.0000 -141.46765 -138.00508 3.46257 1.87205 -137.79844 454.65232
|
|
200.0000 -140.87892 -137.71194 3.16698 1.87902 -137.69632 462.91609
|
|
205.0000 -141.31939 -138.31944 2.99995 1.87604 -137.74004 454.62417
|
|
210.0000 -141.53894 -138.33861 3.20033 1.82005 -138.55947 406.17853
|
|
215.0000 -141.98898 -139.20492 2.78406 1.80662 -138.75608 395.10264
|
|
220.0000 -141.14903 -138.58037 2.56866 1.81454 -138.64023 399.91666
|
|
225.0000 -141.77057 -138.81286 2.95771 1.80404 -138.79380 399.19735
|
|
230.0000 -141.78969 -138.51178 3.27790 1.81493 -138.63447 406.43165
|
|
235.0000 -141.41430 -138.78519 2.62911 1.83145 -138.39273 412.32046
|
|
240.0000 -141.81722 -139.10382 2.71340 1.78643 -139.05164 383.75378
|
|
245.0000 -141.40620 -138.89174 2.51446 1.78353 -139.09401 374.80003
|
|
250.0000 -142.07823 -138.96637 3.11186 1.80589 -138.76672 389.51958
|
|
MELTING PROCESS: loop number 2 T-loop= 492.00000000000000
|
|
main_MD> interactions number 2 at Temperature= 492.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -2.86203 -0.44413 3.59983
|
|
force_rgl> df(natom) 1.10185 -0.48775 1.52009
|
|
255.0000 -141.51353 -137.99675 3.51678 1.85040 -138.11534 436.12190
|
|
260.0000 -140.35288 -137.37752 2.97537 1.87382 -137.77253 455.97390
|
|
265.0000 -140.91356 -137.46559 3.44797 1.90102 -137.37431 479.03593
|
|
270.0000 -140.20450 -137.12880 3.07570 1.92864 -136.97004 498.47919
|
|
275.0000 -140.47818 -137.14424 3.33393 1.91281 -137.20176 487.85986
|
|
280.0000 -141.06882 -137.38567 3.68315 1.90173 -137.36388 486.44041
|
|
285.0000 -140.75891 -137.20174 3.55717 1.88471 -137.61311 468.05792
|
|
290.0000 -140.77121 -137.45946 3.31175 1.91386 -137.18637 492.21955
|
|
295.0000 -141.19505 -137.14036 4.05469 1.89115 -137.51886 475.28094
|
|
300.0000 -140.52060 -136.81429 3.70631 1.92139 -137.07616 495.81432
|
|
305.0000 -141.21232 -137.89051 3.32181 1.89756 -137.42494 471.91677
|
|
310.0000 -141.25739 -138.29813 2.95926 1.86128 -137.95599 443.70339
|
|
315.0000 -141.19829 -138.17309 3.02520 1.83750 -138.30406 420.25642
|
|
320.0000 -141.00188 -137.16812 3.83375 1.87758 -137.71749 455.55669
|
|
325.0000 -140.61757 -137.15000 3.46757 1.90534 -137.31113 492.20455
|
|
330.0000 -141.03107 -136.84978 4.18129 1.93725 -136.84397 513.56515
|
|
335.0000 -140.58251 -136.94300 3.63951 1.96827 -136.38999 544.11341
|
|
340.0000 -140.91633 -136.99228 3.92405 1.91227 -137.20961 500.02375
|
|
345.0000 -140.81780 -137.41494 3.40286 1.91640 -137.14928 497.94800
|
|
350.0000 -140.12809 -136.44773 3.68036 1.93709 -136.84633 514.63902
|
|
355.0000 -140.62182 -137.65815 2.96368 1.90187 -137.36190 482.46184
|
|
360.0000 -141.90466 -138.46127 3.44339 1.85105 -138.10581 440.65402
|
|
365.0000 -140.37446 -137.40057 2.97389 1.82290 -138.51774 410.42075
|
|
370.0000 -140.58001 -137.51894 3.06106 1.88913 -137.54839 471.00597
|
|
375.0000 -140.71451 -137.27865 3.43586 1.89558 -137.45404 472.04351
|
|
380.0000 -140.31281 -136.86084 3.45196 1.95586 -136.57165 521.67072
|
|
385.0000 -140.11137 -135.67235 4.43902 1.96998 -136.36496 545.13950
|
|
390.0000 -139.59575 -135.74682 3.84893 1.99583 -135.98658 548.66382
|
|
395.0000 -140.89295 -136.34174 4.55120 1.97931 -136.22837 552.01182
|
|
400.0000 -140.42647 -137.29514 3.13132 1.93545 -136.87033 505.13908
|
|
405.0000 -140.10030 -136.81384 3.28647 1.90914 -137.25547 482.33613
|
|
410.0000 -140.32868 -136.69188 3.63680 1.92108 -137.08071 494.07925
|
|
415.0000 -139.98302 -136.00405 3.97897 1.95196 -136.62872 510.55449
|
|
420.0000 -140.70818 -136.74835 3.95983 1.96917 -136.37678 540.10380
|
|
425.0000 -140.71133 -138.01514 2.69619 1.89968 -137.39402 473.11302
|
|
430.0000 -140.73447 -137.26979 3.46469 1.87468 -137.75993 454.92395
|
|
435.0000 -141.23749 -137.50512 3.73237 1.91847 -137.11893 496.68266
|
|
440.0000 -140.55474 -137.37389 3.18085 1.88795 -137.56572 468.87404
|
|
445.0000 -140.94259 -136.62805 4.31454 1.91816 -137.12350 503.24602
|
|
450.0000 -140.59572 -136.50920 4.08652 1.95089 -136.64440 526.36824
|
|
455.0000 -140.82792 -137.47363 3.35429 1.90151 -137.36714 477.29979
|
|
460.0000 -140.54386 -137.08332 3.46054 1.88497 -137.60923 467.48289
|
|
465.0000 -140.79068 -137.38426 3.40642 1.90524 -137.31260 485.49668
|
|
470.0000 -140.53789 -136.89458 3.64331 1.93141 -136.92949 501.99692
|
|
475.0000 -140.87481 -137.16283 3.71199 1.96235 -136.47666 516.38735
|
|
480.0000 -140.17371 -136.77435 3.39936 1.95221 -136.62505 523.59017
|
|
485.0000 -140.84778 -136.84851 3.99927 1.96460 -136.44365 540.15291
|
|
490.0000 -140.15783 -136.81117 3.34666 1.93354 -136.89838 508.38107
|
|
495.0000 -140.47607 -136.86835 3.60772 1.95965 -136.51613 544.73785
|
|
500.0000 -140.64167 -137.40914 3.23252 1.92682 -136.99671 498.01114
|
|
MELTING PROCESS: loop number 3 T-loop= 592.00000000000000
|
|
main_MD> interactions number 3 at Temperature= 592.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 3.57776 -1.06415 1.56432
|
|
force_rgl> df(natom) 1.00928 -1.31301 3.75854
|
|
505.0000 -139.65987 -136.09864 3.56123 1.99078 -136.06049 560.15842
|
|
510.0000 -139.61975 -134.86565 4.75410 2.03465 -135.41836 605.53172
|
|
515.0000 -138.89984 -134.48988 4.40995 2.08538 -134.67583 634.79651
|
|
520.0000 -139.50770 -135.23646 4.27124 2.06215 -135.01591 603.21767
|
|
525.0000 -139.89207 -136.12279 3.76929 2.00197 -135.89668 566.75901
|
|
530.0000 -139.88166 -135.71491 4.16675 2.00201 -135.89616 569.41538
|
|
535.0000 -139.84694 -135.56862 4.27831 2.03019 -135.48360 604.23386
|
|
540.0000 -139.90529 -135.02669 4.87859 2.04474 -135.27069 603.26025
|
|
545.0000 -139.10658 -133.83209 5.27449 2.11076 -134.30432 664.58668
|
|
550.0000 -138.65364 -134.03473 4.61891 2.14524 -133.79964 654.05268
|
|
555.0000 -138.28967 -133.89987 4.38980 2.12758 -134.05812 576.01358
|
|
560.0000 -138.32722 -133.51297 4.81425 2.12012 -134.16727 571.63090
|
|
565.0000 -139.10106 -134.16313 4.93793 2.14281 -133.83516 614.83013
|
|
570.0000 -138.62202 -134.92202 3.70000 2.14218 -133.84446 599.26357
|
|
575.0000 -137.85172 -134.26940 3.58231 2.08197 -134.72570 540.45529
|
|
580.0000 -137.23780 -132.60086 4.63694 2.15836 -133.60756 573.87455
|
|
585.0000 -137.94688 -133.10563 4.84125 2.20144 -132.97696 637.00446
|
|
590.0000 -137.71476 -133.55247 4.16228 2.15635 -133.63707 599.68064
|
|
595.0000 -138.50695 -134.31306 4.19389 2.16036 -133.57839 610.72872
|
|
600.0000 -137.83015 -133.06538 4.76477 2.16311 -133.53811 629.26811
|
|
605.0000 -138.23667 -133.88828 4.34840 2.20020 -132.99523 643.58227
|
|
610.0000 -137.63511 -133.48132 4.15379 2.14808 -133.75803 614.70056
|
|
615.0000 -138.11737 -134.23531 3.88206 2.18208 -133.26034 613.83226
|
|
620.0000 -137.09836 -133.36553 3.73283 2.17402 -133.37835 597.90197
|
|
625.0000 -137.91325 -132.96487 4.94838 2.20145 -132.97695 613.40421
|
|
630.0000 -137.00076 -131.93362 5.06714 2.22040 -132.69952 671.92198
|
|
635.0000 -136.89613 -132.22218 4.67395 2.24515 -132.33731 638.02762
|
|
640.0000 -137.13376 -133.39978 3.73398 2.21430 -132.78872 610.60625
|
|
645.0000 -137.97048 -133.42194 4.54854 2.14597 -133.78893 581.46545
|
|
650.0000 -138.49673 -134.29324 4.20349 2.13613 -133.93298 581.72271
|
|
655.0000 -138.62355 -134.28975 4.33379 2.08784 -134.63988 537.59658
|
|
660.0000 -138.01218 -133.74611 4.26607 2.11496 -134.24289 560.89560
|
|
665.0000 -137.82369 -134.38177 3.44192 2.10012 -134.46012 559.32099
|
|
670.0000 -138.83012 -134.64121 4.18891 2.12609 -134.08000 571.87656
|
|
675.0000 -137.83438 -133.67589 4.15849 2.12605 -134.08052 570.74720
|
|
680.0000 -138.19732 -134.90138 3.29594 2.12692 -134.06773 571.16268
|
|
685.0000 -139.16020 -135.02245 4.13775 2.05523 -135.11721 554.77595
|
|
690.0000 -139.75143 -135.33869 4.41274 2.05485 -135.12266 610.92414
|
|
695.0000 -140.20431 -135.88288 4.32142 2.01704 -135.67619 573.84775
|
|
700.0000 -139.42550 -135.53934 3.88616 2.03582 -135.40131 599.89519
|
|
705.0000 -140.15798 -134.74880 5.40919 2.07111 -134.88463 626.01537
|
|
710.0000 -139.19737 -134.50694 4.69043 2.09118 -134.59086 654.57039
|
|
715.0000 -138.67082 -134.23772 4.43310 2.06898 -134.91581 597.06616
|
|
720.0000 -138.67972 -134.22522 4.45450 2.08277 -134.71403 623.39940
|
|
725.0000 -139.49386 -135.06364 4.43022 2.07704 -134.79797 634.42036
|
|
730.0000 -140.26598 -135.62923 4.63675 2.02097 -135.61866 594.30629
|
|
735.0000 -139.61775 -135.64720 3.97055 2.02903 -135.50057 576.32988
|
|
740.0000 -140.01424 -136.25172 3.76252 1.97425 -136.30246 545.92926
|
|
745.0000 -139.96476 -135.90538 4.05938 2.00112 -135.90922 568.65040
|
|
750.0000 -140.55302 -136.96077 3.59225 1.96297 -136.46752 535.00063
|
|
MELTING PROCESS: loop number 4 T-loop= 692.00000000000000
|
|
main_MD> interactions number 4 at Temperature= 692.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.95451 -0.31424 0.71829
|
|
force_rgl> df(natom) 2.91821 2.15171 -0.84575
|
|
755.0000 -139.36320 -135.24535 4.11785 2.00855 -135.80046 582.64076
|
|
760.0000 -137.37045 -133.06889 4.30156 2.09179 -134.58195 642.57441
|
|
765.0000 -138.21400 -134.04604 4.16796 2.16502 -133.51011 668.45497
|
|
770.0000 -137.21167 -131.56073 5.65094 2.19518 -133.06865 678.69154
|
|
775.0000 -135.97445 -130.36149 5.61297 2.33692 -130.99392 736.33602
|
|
780.0000 -136.04858 -130.13420 5.91439 2.40574 -129.98661 794.10523
|
|
785.0000 -136.76571 -130.97922 5.78649 2.32984 -131.09758 709.75006
|
|
790.0000 -136.55093 -132.05851 4.49242 2.34757 -130.83815 733.50395
|
|
795.0000 -137.38960 -132.79123 4.59837 2.24516 -132.33706 654.69109
|
|
800.0000 -136.77571 -132.01975 4.75596 2.25802 -132.14892 677.65003
|
|
805.0000 -136.43029 -130.88248 5.54781 2.33553 -131.01439 733.56814
|
|
810.0000 -137.03475 -132.11713 4.91762 2.30342 -131.48429 708.59855
|
|
815.0000 -136.39022 -131.71133 4.67889 2.26807 -132.00173 659.04259
|
|
820.0000 -135.87395 -131.31280 4.56114 2.29734 -131.57331 706.75708
|
|
825.0000 -136.45169 -132.19609 4.25559 2.29933 -131.54416 700.53096
|
|
830.0000 -136.93946 -131.85485 5.08461 2.26669 -132.02192 684.27827
|
|
835.0000 -136.34162 -131.52117 4.82045 2.28418 -131.76598 688.44247
|
|
840.0000 -136.67655 -132.19232 4.48423 2.28052 -131.81959 669.95860
|
|
845.0000 -135.87679 -130.43090 5.44589 2.32992 -131.09646 723.40613
|
|
850.0000 -136.93470 -131.65438 5.28032 2.33578 -131.01072 702.33927
|
|
855.0000 -136.88532 -132.35138 4.53394 2.28661 -131.73034 696.72535
|
|
860.0000 -137.18202 -131.79201 5.39002 2.26902 -131.98790 687.49917
|
|
865.0000 -136.78186 -131.95286 4.82899 2.27187 -131.94610 692.84209
|
|
870.0000 -137.40893 -132.30201 5.10693 2.30352 -131.48285 736.22350
|
|
875.0000 -137.50064 -133.39314 4.10750 2.18362 -133.23788 599.76389
|
|
880.0000 -136.96174 -132.43030 4.53144 2.18810 -133.17229 622.55624
|
|
885.0000 -136.80539 -131.83860 4.96679 2.24909 -132.27959 666.50579
|
|
890.0000 -136.54981 -131.87833 4.67148 2.28911 -131.69385 683.20504
|
|
895.0000 -136.30838 -131.87351 4.43486 2.33495 -131.02275 734.72180
|
|
900.0000 -136.66307 -131.39819 5.26487 2.30239 -131.49941 713.06352
|
|
905.0000 -136.40975 -131.18125 5.22850 2.33209 -131.06464 720.82756
|
|
910.0000 -136.55769 -132.12674 4.43095 2.30672 -131.43599 718.08849
|
|
915.0000 -136.88710 -130.94014 5.94696 2.31242 -131.35260 694.08304
|
|
920.0000 -137.03120 -131.38819 5.64301 2.31377 -131.33277 700.28397
|
|
925.0000 -136.74109 -132.19134 4.54975 2.29158 -131.65760 679.57276
|
|
930.0000 -135.92954 -131.07745 4.85209 2.28903 -131.69502 690.77946
|
|
935.0000 -137.27392 -132.31490 4.95902 2.30435 -131.47073 695.96244
|
|
940.0000 -137.22267 -131.52658 5.69609 2.27993 -131.82816 682.69326
|
|
945.0000 -137.04161 -131.27651 5.76510 2.33979 -130.95194 771.23160
|
|
950.0000 -138.03363 -133.86361 4.17002 2.21066 -132.84201 648.10675
|
|
955.0000 -138.96701 -133.92933 5.03768 2.11579 -134.23070 563.92565
|
|
960.0000 -137.43189 -132.58882 4.84307 2.19979 -133.00115 649.86286
|
|
965.0000 -136.10841 -132.10762 4.00080 2.24214 -132.38123 660.16223
|
|
970.0000 -136.73207 -130.91662 5.81545 2.29094 -131.66697 695.15608
|
|
975.0000 -136.40170 -131.67938 4.72231 2.31696 -131.28611 725.19028
|
|
980.0000 -136.54663 -130.67900 5.86762 2.36320 -130.60928 740.67584
|
|
985.0000 -135.92603 -130.70934 5.21669 2.33856 -130.96998 725.75544
|
|
990.0000 -136.62690 -130.92118 5.70572 2.34437 -130.88489 721.48847
|
|
995.0000 -137.08848 -131.33955 5.74893 2.31303 -131.34363 717.11331
|
|
1000.0000 -136.67799 -131.32697 5.35102 2.30884 -131.40498 726.06539
|
|
MELTING PROCESS: loop number 5 T-loop= 792.00000000000000
|
|
main_MD> interactions number 5 at Temperature= 792.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -1.38381 0.20922 0.21021
|
|
force_rgl> df(natom) -0.47761 -0.02156 0.16104
|
|
1005.0000 -135.20564 -130.04973 5.15591 2.34701 -130.84624 738.57873
|
|
1010.0000 -136.43420 -130.97865 5.45555 2.37335 -130.46081 749.70193
|
|
1015.0000 -135.61641 -130.30478 5.31163 2.40928 -129.93485 789.76789
|
|
1020.0000 -135.13323 -130.11204 5.02118 2.40275 -130.03039 798.62484
|
|
1025.0000 -136.21432 -130.85564 5.35868 2.34234 -130.91459 729.45817
|
|
1030.0000 -137.01534 -131.87418 5.14116 2.35245 -130.76670 724.14089
|
|
1035.0000 -135.49829 -130.54807 4.95022 2.33445 -131.03017 735.40317
|
|
1040.0000 -135.66163 -130.13776 5.52387 2.33460 -131.02796 729.78671
|
|
1045.0000 -136.41595 -130.59765 5.81830 2.35024 -130.79908 736.78215
|
|
1050.0000 -135.21990 -130.84064 4.37926 2.34700 -130.84644 739.07925
|
|
1055.0000 -135.70715 -130.07597 5.63118 2.37342 -130.45969 742.34597
|
|
1060.0000 -135.05767 -129.58836 5.46931 2.42327 -129.73013 779.78926
|
|
1065.0000 -134.76431 -128.81544 5.94887 2.41059 -129.91564 790.55017
|
|
1070.0000 -135.56274 -129.26349 6.29924 2.45752 -129.22878 806.02569
|
|
1075.0000 -135.67463 -129.22782 6.44680 2.44297 -129.44167 805.83386
|
|
1080.0000 -134.21141 -127.85185 6.35956 2.48982 -128.75600 845.36637
|
|
1085.0000 -137.16815 -130.56022 6.60793 2.46234 -129.15825 834.79255
|
|
1090.0000 -134.67733 -129.09561 5.58173 2.45020 -129.33590 810.29161
|
|
1095.0000 -135.89238 -130.54493 5.34745 2.39724 -130.11103 753.18607
|
|
1100.0000 -134.95449 -129.48656 5.46793 2.38887 -130.23356 742.54367
|
|
1105.0000 -135.29253 -129.66115 5.63138 2.40466 -130.00250 790.44595
|
|
1110.0000 -134.58992 -127.29825 7.29167 2.43766 -129.51937 813.65204
|
|
1115.0000 -134.05117 -127.13687 6.91430 2.63803 -126.58662 962.41452
|
|
1120.0000 -133.38263 -126.57903 6.80360 2.61710 -126.89292 900.56847
|
|
1125.0000 -134.93144 -128.53985 6.39160 2.58850 -127.31162 885.77021
|
|
1130.0000 -135.97167 -130.34293 5.62874 2.51432 -128.39731 869.53783
|
|
1135.0000 -136.13837 -131.59421 4.54416 2.33109 -131.07931 724.84617
|
|
1140.0000 -137.21143 -131.41275 5.79868 2.28044 -131.82075 678.68433
|
|
1145.0000 -135.69839 -130.76859 4.92980 2.33043 -131.08901 729.56306
|
|
1150.0000 -134.99753 -129.58438 5.41315 2.39982 -130.07332 786.54727
|
|
1155.0000 -134.22521 -127.97625 6.24896 2.51732 -128.35341 853.80147
|
|
1160.0000 -135.92014 -128.06112 7.85902 2.50599 -128.51924 856.36110
|
|
1165.0000 -134.91703 -127.75850 7.15853 2.53858 -128.04227 860.33568
|
|
1170.0000 -135.65999 -129.23321 6.42678 2.51176 -128.43483 850.42455
|
|
1175.0000 -134.54935 -129.71517 4.83418 2.48925 -128.76433 839.16955
|
|
1180.0000 -135.59057 -130.44573 5.14484 2.39400 -130.15843 772.05355
|
|
1185.0000 -134.78031 -129.12389 5.65642 2.41843 -129.80088 780.40516
|
|
1190.0000 -134.61221 -129.93967 4.67254 2.42714 -129.67345 796.63217
|
|
1195.0000 -134.53701 -129.00631 5.53070 2.41916 -129.79026 783.11867
|
|
1200.0000 -135.70939 -129.94162 5.76778 2.44361 -129.43234 804.79011
|
|
1205.0000 -134.35522 -129.12818 5.22703 2.42707 -129.67438 801.46267
|
|
1210.0000 -135.32373 -129.47927 5.84446 2.50024 -128.60342 855.09612
|
|
1215.0000 -136.25257 -130.75076 5.50181 2.37762 -130.39828 767.19066
|
|
1220.0000 -135.42950 -130.40404 5.02547 2.37502 -130.43637 762.11064
|
|
1225.0000 -135.97943 -129.85221 6.12722 2.41779 -129.81029 833.60172
|
|
1230.0000 -136.14284 -129.67829 6.46455 2.41558 -129.84262 818.80463
|
|
1235.0000 -135.18550 -130.02377 5.16172 2.38756 -130.25271 784.39095
|
|
1240.0000 -135.84946 -129.11159 6.73788 2.46906 -129.05977 829.16942
|
|
1245.0000 -134.44159 -128.75633 5.68526 2.46417 -129.13141 797.26667
|
|
1250.0000 -135.00022 -128.99306 6.00715 2.48798 -128.78289 823.41635
|
|
MELTING PROCESS: loop number 6 T-loop= 892.00000000000000
|
|
main_MD> interactions number 6 at Temperature= 892.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.65023 0.01287 1.72244
|
|
force_rgl> df(natom) -0.79877 -2.21347 -1.59621
|
|
1255.0000 -134.99700 -128.15583 6.84117 2.48822 -128.77942 847.73105
|
|
1260.0000 -132.89023 -127.81587 5.07436 2.49944 -128.61512 860.71969
|
|
1265.0000 -133.75223 -127.94923 5.80300 2.54061 -128.01253 840.30431
|
|
1270.0000 -135.19482 -128.17927 7.01555 2.53374 -128.11315 831.32717
|
|
1275.0000 -135.00348 -128.01521 6.98828 2.54258 -127.98363 888.59222
|
|
1280.0000 -134.97084 -129.27326 5.69757 2.50445 -128.54175 834.29396
|
|
1285.0000 -134.24907 -127.19877 7.05030 2.49706 -128.65001 853.85539
|
|
1290.0000 -134.74197 -127.38571 7.35626 2.63199 -126.67501 959.14355
|
|
1295.0000 -133.77198 -127.78067 5.99131 2.57835 -127.46018 940.54046
|
|
1300.0000 -133.39136 -127.11506 6.27630 2.59247 -127.25343 922.32415
|
|
1305.0000 -132.96603 -126.58728 6.37875 2.59090 -127.27641 912.77356
|
|
1310.0000 -134.70978 -129.28821 5.42157 2.56793 -127.61258 910.99756
|
|
1315.0000 -134.35390 -128.17683 6.17706 2.52153 -128.29178 874.50001
|
|
1320.0000 -133.09466 -127.16396 5.93071 2.54579 -127.93664 894.06467
|
|
1325.0000 -135.81807 -129.15014 6.66793 2.56164 -127.70475 934.33747
|
|
1330.0000 -134.50876 -128.65508 5.85368 2.53335 -128.11874 894.53420
|
|
1335.0000 -135.45393 -128.23435 7.21957 2.45567 -129.25585 802.52227
|
|
1340.0000 -134.82898 -128.56161 6.26737 2.49443 -128.68853 845.31984
|
|
1345.0000 -135.02477 -128.52313 6.50165 2.49096 -128.73926 849.23338
|
|
1350.0000 -134.32518 -128.51054 5.81464 2.52762 -128.20265 866.24140
|
|
1355.0000 -133.05384 -126.28862 6.76522 2.60441 -127.07865 920.74562
|
|
1360.0000 -133.61500 -126.68971 6.92529 2.66511 -126.19013 957.02834
|
|
1365.0000 -132.86405 -126.38609 6.47797 2.62476 -126.78083 935.57061
|
|
1370.0000 -134.64891 -127.74349 6.90542 2.59809 -127.17117 923.18447
|
|
1375.0000 -134.43710 -127.81397 6.62312 2.55196 -127.84640 894.56911
|
|
1380.0000 -134.76945 -127.52307 7.24638 2.58013 -127.43408 928.27393
|
|
1385.0000 -134.99242 -128.46957 6.52285 2.58142 -127.41518 907.66082
|
|
1390.0000 -134.29173 -127.53032 6.76141 2.50744 -128.49809 858.41923
|
|
1395.0000 -131.58773 -125.15962 6.42810 2.62082 -126.83848 943.83584
|
|
1400.0000 -133.64963 -126.44074 7.20889 2.67135 -126.09885 965.76039
|
|
1405.0000 -133.66390 -127.76762 5.89628 2.58328 -127.38801 919.41936
|
|
1410.0000 -133.35332 -127.95193 5.40138 2.56771 -127.61588 875.05318
|
|
1415.0000 -135.35057 -129.25184 6.09873 2.50432 -128.54365 832.08343
|
|
1420.0000 -134.77621 -128.51399 6.26222 2.44463 -129.41748 833.27819
|
|
1425.0000 -132.42867 -125.54700 6.88167 2.59726 -127.18335 919.38320
|
|
1430.0000 -134.84453 -128.75135 6.09318 2.61255 -126.95951 896.78566
|
|
1435.0000 -133.36930 -126.60667 6.76264 2.52851 -128.18963 864.00368
|
|
1440.0000 -134.20968 -127.45347 6.75622 2.56890 -127.59837 888.08782
|
|
1445.0000 -133.49968 -126.41475 7.08493 2.56811 -127.61004 874.28917
|
|
1450.0000 -135.86672 -129.95730 5.90942 2.57608 -127.49334 929.36882
|
|
1455.0000 -134.75518 -128.97977 5.77541 2.45945 -129.20043 805.88690
|
|
1460.0000 -133.82859 -128.88147 4.94712 2.48751 -128.78974 810.11768
|
|
1465.0000 -133.71606 -126.86587 6.85019 2.56199 -127.69965 907.79163
|
|
1470.0000 -134.89756 -127.98639 6.91117 2.52704 -128.21122 882.71291
|
|
1475.0000 -134.86839 -126.61227 8.25613 2.59934 -127.15282 937.80313
|
|
1480.0000 -134.89624 -128.71293 6.18331 2.58049 -127.42884 922.49580
|
|
1485.0000 -134.14868 -127.89770 6.25097 2.47754 -128.93573 828.16674
|
|
1490.0000 -133.54888 -127.61194 5.93694 2.58033 -127.43110 877.22260
|
|
1495.0000 -133.06580 -126.80812 6.25768 2.59928 -127.15383 900.74056
|
|
1500.0000 -133.16309 -126.34111 6.82198 2.65582 -126.32615 942.16739
|
|
MELTING PROCESS: loop number 7 T-loop= 992.00000000000000
|
|
main_MD> interactions number 7 at Temperature= 992.00000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) -0.94707 3.02738 -1.32433
|
|
force_rgl> df(natom) -1.26039 -0.23014 -1.69436
|
|
1505.0000 -132.91748 -124.83882 8.07866 2.72538 -125.30800 1027.92598
|
|
1510.0000 -133.87025 -125.43534 8.43491 2.74506 -125.01996 1018.66442
|
|
1515.0000 -132.21896 -125.35167 6.86729 2.73478 -125.17046 1007.51135
|
|
1520.0000 -131.45857 -124.51321 6.94537 2.79531 -124.28441 1051.97813
|
|
1525.0000 -132.39553 -124.48641 7.90913 2.77312 -124.60925 1023.83858
|
|
1530.0000 -133.55617 -124.29543 9.26074 2.76899 -124.66970 1035.67242
|
|
1535.0000 -132.37366 -125.37528 6.99838 2.81046 -124.06272 1047.75104
|
|
1540.0000 -132.27584 -126.57902 5.69682 2.68402 -125.91344 977.40612
|
|
1545.0000 -131.68344 -124.97550 6.70794 2.67254 -126.08148 971.95748
|
|
1550.0000 -131.71105 -124.72695 6.98410 2.75013 -124.94574 1004.61736
|
|
1555.0000 -131.18940 -124.16426 7.02514 2.70994 -125.53393 997.88565
|
|
1560.0000 -134.28350 -127.42492 6.85858 2.69960 -125.68531 998.52391
|
|
1565.0000 -133.12207 -126.50070 6.62137 2.63493 -126.63194 966.82656
|
|
1570.0000 -133.11100 -126.81319 6.29782 2.60764 -127.03136 914.74101
|
|
1575.0000 -133.96173 -124.92040 9.04133 2.64863 -126.43139 942.21429
|
|
1580.0000 -133.23969 -125.43144 7.80825 2.71782 -125.41867 990.20755
|
|
1585.0000 -133.29663 -125.52804 7.76860 2.70365 -125.62613 962.99212
|
|
1590.0000 -133.14080 -126.15477 6.98603 2.69148 -125.80425 989.86469
|
|
1595.0000 -135.10923 -127.94488 7.16435 2.61473 -126.92761 949.25641
|
|
1600.0000 -132.27567 -125.76726 6.50842 2.59863 -127.16331 918.53988
|
|
1605.0000 -134.96548 -128.16476 6.80072 2.64075 -126.54672 972.54967
|
|
1610.0000 -132.35469 -124.82328 7.53141 2.66668 -126.16727 953.46098
|
|
1615.0000 -131.22656 -123.05046 8.17610 2.84530 -123.55265 1102.82949
|
|
1620.0000 -131.87335 -124.30121 7.57214 2.79655 -124.26634 1059.37486
|
|
1625.0000 -133.47417 -125.82470 7.64946 2.70561 -125.59732 995.00661
|
|
1630.0000 -134.42398 -128.05335 6.37063 2.59940 -127.15198 927.00164
|
|
1635.0000 -133.60259 -126.99552 6.60707 2.56909 -127.59571 909.98031
|
|
1640.0000 -131.23989 -123.92059 7.31930 2.78994 -124.36300 1086.40424
|
|
1645.0000 -132.83907 -124.24352 8.59556 2.75398 -124.88936 1048.86927
|
|
1650.0000 -133.53658 -126.24465 7.29192 2.76293 -124.75843 1031.36915
|
|
1655.0000 -132.55331 -124.86332 7.68999 2.70382 -125.62352 1044.87516
|
|
1660.0000 -132.28417 -124.62403 7.66015 2.76615 -124.71117 1041.40809
|
|
1665.0000 -132.46935 -124.35322 8.11613 2.74944 -124.95578 1028.54634
|
|
1670.0000 -132.76798 -126.36130 6.40667 2.76616 -124.71107 1068.06787
|
|
1675.0000 -131.85255 -124.78023 7.07232 2.68115 -125.95542 986.07617
|
|
1680.0000 -132.25595 -123.42936 8.82660 2.81648 -123.97458 1045.51337
|
|
1685.0000 -133.20247 -125.83910 7.36337 2.72324 -125.33935 1001.99531
|
|
1690.0000 -132.47389 -126.27279 6.20111 2.67028 -126.11447 983.50211
|
|
1695.0000 -133.02086 -125.32263 7.69823 2.64567 -126.47473 943.71218
|
|
1700.0000 -132.06083 -125.41553 6.64530 2.73904 -125.10810 976.06057
|
|
1705.0000 -133.20312 -125.43944 7.76368 2.73825 -125.11963 1012.14928
|
|
1710.0000 -132.44227 -124.04719 8.39508 2.75383 -124.89155 1005.50086
|
|
1715.0000 -133.45237 -125.25446 8.19790 2.72393 -125.32921 1002.64384
|
|
1720.0000 -132.84442 -126.83812 6.00630 2.66820 -126.14492 965.43285
|
|
1725.0000 -131.83574 -125.09572 6.74002 2.68947 -125.83367 977.87451
|
|
1730.0000 -134.28324 -126.26740 8.01584 2.71652 -125.43773 998.08305
|
|
1735.0000 -132.31157 -125.09493 7.21664 2.69334 -125.77703 979.36190
|
|
1740.0000 -130.98645 -124.50032 6.48613 2.75911 -124.81429 1029.99285
|
|
1745.0000 -132.94359 -125.50627 7.43732 2.77386 -124.59834 1055.50419
|
|
1750.0000 -132.99657 -125.42223 7.57434 2.70469 -125.61085 1012.39809
|
|
MELTING PROCESS: loop number 8 T-loop= 1092.0000000000000
|
|
main_MD> interactions number 8 at Temperature= 1092.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 0.77285 -1.14151 1.48558
|
|
force_rgl> df(natom) 1.14643 0.55005 -0.15046
|
|
1755.0000 -130.76359 -123.43417 7.32942 2.80180 -124.18941 1069.37162
|
|
1760.0000 -131.89962 -122.91581 8.98382 2.89987 -122.75392 1079.86805
|
|
1765.0000 -130.23089 -123.34084 6.89004 2.90202 -122.72252 1161.44516
|
|
1770.0000 -131.88761 -123.80076 8.08685 2.86404 -123.27845 1044.35813
|
|
1775.0000 -131.69516 -124.40354 7.29162 2.82818 -123.80332 1030.89979
|
|
1780.0000 -132.12418 -122.64939 9.47479 2.83190 -123.74887 1089.45841
|
|
1785.0000 -130.91076 -123.73355 7.17721 2.88668 -122.94701 1114.29047
|
|
1790.0000 -130.48865 -123.09950 7.38915 2.89683 -122.79842 1150.28684
|
|
1795.0000 -131.12764 -123.44336 7.68427 2.88566 -122.96202 1106.69884
|
|
1800.0000 -132.91754 -124.15308 8.76446 2.80005 -124.21503 1050.54514
|
|
1805.0000 -131.16195 -123.31124 7.85071 2.86854 -123.21248 1148.83285
|
|
1810.0000 -131.55534 -124.20858 7.34676 2.82572 -123.83934 1074.11415
|
|
1815.0000 -131.68061 -123.60730 8.07331 2.82534 -123.84484 1089.53812
|
|
1820.0000 -131.66173 -124.28655 7.37518 2.85099 -123.46937 1110.50826
|
|
1825.0000 -133.21289 -125.45100 7.76189 2.81083 -124.05722 1048.14167
|
|
1830.0000 -133.15378 -125.15694 7.99684 2.73414 -125.17974 1024.71108
|
|
1835.0000 -132.60592 -125.37421 7.23171 2.81002 -124.06915 1071.90073
|
|
1840.0000 -131.75081 -124.16849 7.58232 2.76866 -124.67444 1051.07505
|
|
1845.0000 -132.12254 -125.55575 6.56679 2.86563 -123.25520 1122.12429
|
|
1850.0000 -131.15495 -122.61646 8.53849 2.73719 -125.13511 1040.46063
|
|
1855.0000 -133.14888 -125.32181 7.82707 2.83857 -123.65116 1102.44509
|
|
1860.0000 -132.12894 -123.91920 8.20974 2.76204 -124.77141 1032.82790
|
|
1865.0000 -131.10478 -122.14568 8.95910 2.90744 -122.64316 1163.59627
|
|
1870.0000 -131.10153 -122.21414 8.88739 2.91698 -122.50354 1158.78339
|
|
1875.0000 -131.23703 -122.66598 8.57105 2.98307 -121.53616 1176.32217
|
|
1880.0000 -130.44662 -123.76780 6.67882 2.83564 -123.69405 1103.03844
|
|
1885.0000 -132.40251 -124.49125 7.91126 2.79310 -124.31680 1014.27688
|
|
1890.0000 -131.31429 -123.62798 7.68631 2.82469 -123.85436 1082.75294
|
|
1895.0000 -132.05333 -124.24820 7.80513 2.75725 -124.84146 1016.74809
|
|
1900.0000 -133.21522 -123.88912 9.32610 2.82194 -123.89458 1088.78117
|
|
1905.0000 -130.68125 -119.86306 10.81820 2.97616 -121.63730 1221.53391
|
|
1910.0000 -131.38585 -123.34228 8.04357 2.98434 -121.51752 1181.12266
|
|
1915.0000 -130.78634 -123.29086 7.49548 2.88220 -123.01262 1121.95444
|
|
1920.0000 -131.71653 -124.45340 7.26313 2.72267 -125.34761 988.61537
|
|
1925.0000 -129.64920 -121.51486 8.13434 2.87916 -123.05706 1146.72365
|
|
1930.0000 -130.31515 -121.56100 8.75414 2.99174 -121.40930 1194.14773
|
|
1935.0000 -131.43549 -123.57698 7.85851 2.95119 -122.00277 1196.94518
|
|
1940.0000 -131.41969 -121.97725 9.44244 2.85157 -123.46098 1111.39888
|
|
1945.0000 -131.59654 -123.93422 7.66232 2.92442 -122.39456 1161.99435
|
|
1950.0000 -130.57784 -122.14762 8.43022 2.89773 -122.78530 1138.12110
|
|
1955.0000 -130.70003 -121.57608 9.12395 2.94600 -122.07869 1192.91037
|
|
1960.0000 -130.27320 -121.89204 8.38116 2.99523 -121.35819 1195.79208
|
|
1965.0000 -131.21576 -124.19793 7.01783 2.87131 -123.17195 1127.40334
|
|
1970.0000 -132.09244 -123.36862 8.72382 2.84762 -123.51876 1114.48475
|
|
1975.0000 -130.87520 -123.10518 7.77001 2.81667 -123.97179 1051.92013
|
|
1980.0000 -133.13795 -124.11147 9.02648 2.83701 -123.67412 1104.06671
|
|
1985.0000 -130.95633 -123.93757 7.01876 2.80340 -124.16604 1086.68204
|
|
1990.0000 -130.85981 -123.34706 7.51274 2.89510 -122.82373 1108.25222
|
|
1995.0000 -131.49765 -124.61018 6.88746 2.87327 -123.14332 1113.86853
|
|
2000.0000 -131.56199 -123.58642 7.97557 2.82327 -123.87523 1052.80367
|
|
MELTING PROCESS: loop number 9 T-loop= 1192.0000000000000
|
|
main_MD> interactions number 9 at Temperature= 1192.0000000000000
|
|
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
|
|
force_rgl> df(1) 1.27710 -6.30676 -0.94895
|
|
force_rgl> df(natom) -0.34076 3.07254 1.15924
|
|
2005.0000 -128.84399 -119.07783 9.76616 2.94379 -122.11105 1171.65103
|
|
2010.0000 -130.49218 -120.73317 9.75901 3.08318 -120.07084 1295.20645
|
|
2015.0000 -131.10418 -123.36065 7.74353 2.94300 -122.12259 1203.35146
|
|
2020.0000 -129.26503 -121.97883 7.28621 2.93469 -122.24423 1135.92774
|
|
2025.0000 -131.20197 -123.89649 7.30548 2.96461 -121.80630 1185.26263
|
|
2030.0000 -130.02140 -122.53192 7.48948 2.83786 -123.66158 1083.77178
|
|
2035.0000 -130.48623 -122.52607 7.96015 2.95212 -121.98912 1155.06911
|
|
2040.0000 -129.89815 -121.13774 8.76041 2.97926 -121.59191 1230.95657
|
|
2045.0000 -129.41188 -121.53905 7.87283 2.99175 -121.40906 1179.19158
|
|
2050.0000 -129.53136 -121.19946 8.33191 2.99586 -121.34896 1205.39865
|
|
2055.0000 -131.09322 -121.49664 9.59657 3.02957 -120.85552 1198.85019
|
|
2060.0000 -130.72741 -122.55307 8.17434 2.93974 -122.17031 1177.62303
|
|
2065.0000 -129.76567 -121.66517 8.10049 2.94013 -122.16469 1205.09082
|
|
2070.0000 -129.56876 -119.27199 10.29677 3.11308 -119.63310 1285.87163
|
|
2075.0000 -128.71075 -120.16988 8.54087 3.09413 -119.91050 1300.84998
|
|
2080.0000 -128.49331 -119.42797 9.06534 3.09782 -119.85652 1248.29451
|
|
2085.0000 -130.95012 -122.26811 8.68201 3.00780 -121.17414 1227.35092
|
|
2090.0000 -130.78825 -122.14093 8.64732 2.90810 -122.63355 1160.81710
|
|
2095.0000 -129.20028 -119.86630 9.33398 2.95655 -121.92438 1170.21786
|
|
2100.0000 -131.82124 -122.39635 9.42489 3.02112 -120.97913 1178.75492
|
|
2105.0000 -130.47332 -122.14905 8.32427 2.91979 -122.46241 1149.68647
|
|
2110.0000 -130.72082 -121.96499 8.75583 2.93000 -122.31296 1178.75123
|
|
2115.0000 -132.65459 -123.70959 8.94499 2.87453 -123.12489 1131.88442
|
|
2120.0000 -131.24551 -122.95511 8.29040 2.76484 -124.73038 1037.04233
|
|
2125.0000 -128.92101 -120.81575 8.10526 2.95618 -121.92972 1160.80229
|
|
2130.0000 -130.80774 -122.25811 8.54964 2.86415 -123.27677 1110.25585
|
|
2135.0000 -130.96693 -123.27511 7.69182 2.91563 -122.52322 1100.42362
|
|
2140.0000 -131.91779 -123.05458 8.86320 2.87683 -123.09114 1134.46656
|
|
2145.0000 -131.62812 -122.96246 8.66566 2.90226 -122.71891 1116.26499
|
|
2150.0000 -130.85452 -122.33850 8.51602 2.90615 -122.66207 1147.57429
|
|
2155.0000 -131.17153 -123.47837 7.69316 2.92145 -122.43815 1198.81682
|
|
2160.0000 -130.80084 -121.90486 8.89599 2.81092 -124.05596 1090.92976
|
|
2165.0000 -128.72257 -120.48872 8.23385 3.01303 -121.09765 1220.53959
|
|
2170.0000 -130.55013 -122.05627 8.49387 3.01569 -121.05861 1200.37100
|
|
2175.0000 -130.84745 -122.96985 7.87760 2.88099 -123.03035 1112.93255
|
|
2180.0000 -129.29107 -119.81344 9.47763 3.00873 -121.16052 1211.80487
|
|
2185.0000 -128.20245 -118.90301 9.29944 3.06417 -120.34908 1253.87516
|
|
2190.0000 -129.67393 -120.83342 8.84051 3.10988 -119.68004 1301.98635
|
|
2195.0000 -130.62817 -121.00616 9.62201 3.09608 -119.88205 1279.38358
|
|
2200.0000 -129.17513 -121.47239 7.70273 3.00454 -121.22194 1225.53902
|
|
2205.0000 -131.54302 -123.89097 7.65205 2.94861 -122.04047 1143.00658
|
|
2210.0000 -130.75094 -121.94318 8.80776 2.89015 -122.89619 1138.65063
|
|
2215.0000 -130.93890 -122.01362 8.92529 2.94760 -122.05526 1167.69984
|
|
2220.0000 -130.07415 -121.23348 8.84067 2.90837 -122.62955 1146.42966
|
|
2225.0000 -128.73406 -120.18103 8.55304 3.06900 -120.27832 1228.41035
|
|
2230.0000 -127.19478 -117.32526 9.86952 3.12960 -119.39140 1266.66652
|
|
2235.0000 -131.10212 -121.01215 10.08997 3.16144 -118.92531 1294.06351
|
|
2240.0000 -131.18520 -122.77636 8.40885 2.98825 -121.46034 1222.86127
|
|
2245.0000 -131.05908 -124.03104 7.02804 2.90749 -122.64245 1155.18913
|
|
2250.0000 -132.24062 -124.99876 7.24186 2.79240 -124.32701 1040.13744
|
|
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 2.7242678 [s].
|
|
main_MD> Deallocating global variables
|