tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/meltingSims/run_70/melt.log

2034 lines
201 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: melting
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoMelt_70.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 = 70 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 70 7000
main_MD> Size of nv and nvoiz: 70 7000
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 = 70
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> 2.2388554414818886E-002 -1.4623695044033777E-002 4.1127240428423507E-002 initial drift of cluster / NP1 for coalescence
init> 0.28722453663131431 0.32346065976425969 0.30927679898530608 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.8315092136919719E-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) 1.61510 2.71521 0.25860
force_rgl> df(natom) 0.55315 -0.63797 1.24516
preparo> THERMALIZATION PROCESS AT 290.23769867994275
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -176.08821676027816 3.0230819362582420 -179.11129869653641 3.8030781182098742E-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 36
MELTING PROCESS: loop number 1 T-loop= 316.00000000000000
main_MD> interactions number 1 at Temperature= 316.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.97303 -0.01402 0.73762
force_rgl> df(natom) 0.88076 0.71509 0.78651
5.0000 -179.06804 -176.74781 2.32023 1.76832 -176.46516 303.73946
10.0000 -179.18075 -176.27408 2.90667 1.76444 -176.53105 299.12362
15.0000 -179.01727 -176.32951 2.68776 1.78795 -176.13169 322.24310
20.0000 -179.23618 -176.13979 3.09639 1.78977 -176.10083 325.39631
25.0000 -179.32500 -175.90114 3.42386 1.80587 -175.82734 339.80009
30.0000 -179.10684 -175.47362 3.63322 1.81155 -175.73081 343.16702
35.0000 -178.97741 -175.70685 3.27055 1.82732 -175.46290 349.17415
40.0000 -179.13834 -175.84378 3.29456 1.80600 -175.82517 339.50479
45.0000 -179.26228 -176.21914 3.04314 1.81133 -175.73451 346.42458
50.0000 -178.81389 -175.98443 2.82946 1.78678 -176.15149 322.19379
55.0000 -178.93699 -175.81084 3.12614 1.79563 -176.00126 325.56202
60.0000 -179.45391 -176.68724 2.76667 1.77998 -176.26700 314.18285
65.0000 -179.51033 -176.75598 2.75435 1.75812 -176.63834 300.28585
70.0000 -179.38252 -176.68956 2.69296 1.74805 -176.80941 288.27250
75.0000 -179.36067 -175.86609 3.49459 1.77925 -176.27949 316.76369
80.0000 -179.40200 -176.82098 2.58103 1.76650 -176.49596 306.95384
85.0000 -178.78632 -175.84312 2.94320 1.77749 -176.30933 309.27033
90.0000 -179.12720 -176.33008 2.79712 1.80912 -175.77207 341.11933
95.0000 -179.03212 -176.07711 2.95501 1.79573 -175.99946 332.20887
100.0000 -179.21882 -176.06963 3.14919 1.79526 -176.00757 328.79587
105.0000 -178.66579 -175.94185 2.72395 1.79672 -175.98272 321.31724
110.0000 -179.29699 -176.18140 3.11559 1.81838 -175.61475 346.31185
115.0000 -178.94473 -175.87458 3.07015 1.77826 -176.29630 307.10415
120.0000 -179.06768 -176.02586 3.04182 1.81014 -175.75486 340.14779
125.0000 -178.75011 -176.03865 2.71146 1.79895 -175.94480 330.87785
130.0000 -179.02026 -175.81690 3.20337 1.78243 -176.22539 318.16293
135.0000 -179.34798 -176.24396 3.10403 1.79140 -176.07306 326.43407
140.0000 -179.40848 -176.12975 3.27872 1.77824 -176.29662 313.35030
145.0000 -179.47352 -176.45370 3.01982 1.78336 -176.20963 319.61825
150.0000 -179.37444 -176.87907 2.49537 1.77129 -176.41462 311.60044
155.0000 -179.32598 -176.22632 3.09966 1.76294 -176.55647 301.39648
160.0000 -179.38314 -176.89966 2.48348 1.77104 -176.41883 309.97178
165.0000 -179.45788 -176.88126 2.57663 1.75489 -176.69321 293.30736
170.0000 -179.19132 -176.45058 2.74074 1.75143 -176.75205 291.54617
175.0000 -179.51074 -176.66610 2.84464 1.77326 -176.38113 311.25899
180.0000 -179.08062 -176.07479 3.00584 1.77132 -176.41407 304.24427
185.0000 -178.60236 -176.00020 2.60215 1.78961 -176.10343 323.47482
190.0000 -179.51858 -176.79046 2.72812 1.78634 -176.15898 320.61350
195.0000 -179.39241 -176.78394 2.60847 1.75370 -176.71342 293.11830
200.0000 -179.50019 -176.57146 2.92873 1.76377 -176.54241 293.98283
205.0000 -178.91466 -176.28684 2.62783 1.76367 -176.54407 290.46445
210.0000 -178.86883 -176.14010 2.72873 1.77264 -176.39170 300.90049
215.0000 -178.91468 -175.95160 2.96308 1.77679 -176.32118 305.50407
220.0000 -178.78846 -175.35576 3.43270 1.81373 -175.69373 331.70682
225.0000 -179.04135 -176.02752 3.01384 1.80686 -175.81054 333.56850
230.0000 -178.57413 -175.89699 2.67714 1.78512 -176.17981 317.82967
235.0000 -178.97485 -176.21937 2.75548 1.81376 -175.69323 335.24938
240.0000 -178.62236 -175.80670 2.81566 1.80738 -175.80166 330.62033
245.0000 -178.93546 -175.57344 3.36202 1.81086 -175.74264 330.24143
250.0000 -178.86093 -175.85483 3.00611 1.80616 -175.82240 326.47337
MELTING PROCESS: loop number 2 T-loop= 341.00000000000000
main_MD> interactions number 2 at Temperature= 341.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.27154 2.15102 -0.21659
force_rgl> df(natom) -0.08855 0.07889 -0.70392
255.0000 -178.81069 -176.23433 2.57637 1.78954 -176.10476 322.91522
260.0000 -179.00355 -175.91333 3.09022 1.77912 -176.28164 315.49710
265.0000 -179.16478 -175.75878 3.40600 1.79457 -176.01932 326.47601
270.0000 -178.53310 -175.44066 3.09244 1.81082 -175.74321 338.09421
275.0000 -178.74195 -175.58377 3.15818 1.82101 -175.57012 344.98437
280.0000 -178.57392 -175.51194 3.06198 1.81022 -175.75342 340.50947
285.0000 -178.00709 -174.79998 3.20710 1.84113 -175.22844 354.43958
290.0000 -178.58781 -175.46573 3.12208 1.87379 -174.67368 376.66734
295.0000 -178.41473 -175.75715 2.65758 1.81952 -175.59549 331.63991
300.0000 -178.94967 -176.15876 2.79091 1.78823 -176.12690 309.01140
305.0000 -179.27268 -176.82540 2.44727 1.78939 -176.10720 317.44566
310.0000 -179.09060 -176.83259 2.25801 1.73213 -177.07982 266.88941
315.0000 -178.74992 -176.28428 2.46565 1.77299 -176.38572 300.40525
320.0000 -178.52109 -175.54144 2.97965 1.79229 -176.05789 314.59797
325.0000 -179.11844 -175.98900 3.12945 1.81210 -175.72155 332.90164
330.0000 -178.21285 -175.61291 2.59994 1.82764 -175.45749 337.35959
335.0000 -178.47979 -175.40357 3.07622 1.81433 -175.68359 323.74162
340.0000 -178.51745 -175.20346 3.31399 1.85576 -174.97992 362.25051
345.0000 -178.50050 -175.81789 2.68261 1.82334 -175.53064 338.88236
350.0000 -178.38522 -175.21057 3.17465 1.82737 -175.46205 356.30228
355.0000 -178.37899 -175.71693 2.66206 1.82598 -175.48583 347.99217
360.0000 -178.89919 -175.82403 3.07516 1.79577 -175.99882 323.11587
365.0000 -178.71452 -175.92679 2.78773 1.80232 -175.88752 332.23426
370.0000 -178.65737 -175.40381 3.25357 1.79990 -175.92868 323.36253
375.0000 -177.89012 -174.71782 3.17229 1.82038 -175.58092 341.28287
380.0000 -178.70712 -175.69257 3.01455 1.84534 -175.15698 368.11341
385.0000 -179.04635 -176.43663 2.60972 1.80616 -175.82236 324.26110
390.0000 -178.96780 -175.52393 3.44386 1.79379 -176.03255 316.09756
395.0000 -178.51365 -176.04473 2.46892 1.81421 -175.68566 339.17608
400.0000 -178.96837 -176.22154 2.74683 1.81184 -175.72596 332.56604
405.0000 -179.07483 -175.87099 3.20384 1.78751 -176.13922 315.09611
410.0000 -178.70939 -175.86970 2.83969 1.80928 -175.76935 344.46892
415.0000 -178.63548 -175.71547 2.92001 1.80213 -175.89083 327.72428
420.0000 -178.27379 -175.74217 2.53161 1.81584 -175.65790 335.73050
425.0000 -179.01154 -176.06852 2.94302 1.81302 -175.70579 332.96624
430.0000 -178.68748 -175.36329 3.32419 1.83672 -175.30336 359.47310
435.0000 -178.53537 -175.52372 3.01165 1.84141 -175.22373 358.54991
440.0000 -178.42387 -175.23526 3.18861 1.83110 -175.39872 350.42081
445.0000 -178.87932 -176.05907 2.82025 1.83603 -175.31500 361.10343
450.0000 -178.51852 -175.37758 3.14093 1.82990 -175.41925 349.20323
455.0000 -178.81168 -175.13183 3.67985 1.83466 -175.33824 344.63832
460.0000 -178.85933 -175.70196 3.15737 1.83560 -175.32230 351.50307
465.0000 -178.65947 -175.53024 3.12923 1.82515 -175.49977 341.55736
470.0000 -178.49255 -175.24832 3.24423 1.82771 -175.45636 348.14672
475.0000 -178.86401 -175.63232 3.23169 1.82811 -175.44965 347.78643
480.0000 -178.31317 -175.32562 2.98755 1.82700 -175.46845 349.98310
485.0000 -178.97013 -175.99600 2.97413 1.80210 -175.89137 329.36542
490.0000 -178.57023 -175.21940 3.35083 1.80852 -175.78235 341.72120
495.0000 -178.64916 -175.29189 3.35728 1.83822 -175.27786 355.75365
500.0000 -178.79361 -175.78878 3.00484 1.83030 -175.41239 358.88049
MELTING PROCESS: loop number 3 T-loop= 366.00000000000000
main_MD> interactions number 3 at Temperature= 366.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.29377 -0.63913 3.28917
force_rgl> df(natom) -1.73759 1.87639 -0.82249
505.0000 -178.66556 -174.93162 3.73394 1.83315 -175.36393 355.57315
510.0000 -178.24899 -174.72944 3.51956 1.85178 -175.04761 378.83080
515.0000 -178.11228 -174.80098 3.31130 1.85631 -174.97066 382.70342
520.0000 -178.72392 -175.52514 3.19878 1.85020 -175.07432 364.70813
525.0000 -178.50517 -175.38712 3.11805 1.83804 -175.28089 357.02468
530.0000 -178.47070 -175.53188 2.93883 1.80414 -175.85666 323.81019
535.0000 -178.22109 -175.03571 3.18538 1.85179 -175.04744 369.60315
540.0000 -177.98184 -175.05203 2.92981 1.85646 -174.96812 365.59644
545.0000 -178.51474 -175.37477 3.13997 1.84358 -175.18688 353.24110
550.0000 -178.52861 -175.11528 3.41333 1.84280 -175.20011 351.47047
555.0000 -178.62666 -174.86943 3.75722 1.85168 -175.04919 365.17479
560.0000 -178.44466 -175.11002 3.33464 1.84838 -175.10528 351.57922
565.0000 -178.05096 -174.79962 3.25133 1.83805 -175.28074 352.14658
570.0000 -178.77280 -175.39981 3.37299 1.85350 -175.01828 374.12140
575.0000 -178.52028 -174.81679 3.70348 1.85026 -175.07330 379.22162
580.0000 -178.59937 -175.64071 2.95866 1.84012 -175.24559 369.73325
585.0000 -178.36607 -175.18996 3.17611 1.82544 -175.49486 353.91881
590.0000 -178.46502 -174.70616 3.75886 1.85371 -175.01470 386.47031
595.0000 -178.02574 -174.22828 3.79746 1.88322 -174.51360 407.06467
600.0000 -178.28094 -175.11431 3.16663 1.84782 -175.11476 378.12501
605.0000 -178.25746 -175.06379 3.19366 1.83958 -175.25477 368.74419
610.0000 -178.04546 -174.50863 3.53684 1.85641 -174.96881 376.87100
615.0000 -178.33846 -174.86767 3.47079 1.87047 -174.73003 395.78068
620.0000 -178.30185 -174.88447 3.41738 1.86088 -174.89296 388.02213
625.0000 -178.83793 -175.68434 3.15359 1.84642 -175.13856 373.70402
630.0000 -178.27248 -175.14811 3.12437 1.82689 -175.47035 360.28228
635.0000 -178.62670 -175.45184 3.17485 1.84089 -175.23244 369.35972
640.0000 -178.89407 -174.96503 3.92903 1.85895 -174.92583 387.25048
645.0000 -178.97480 -175.63519 3.33961 1.83387 -175.35174 350.83249
650.0000 -178.92788 -175.83165 3.09623 1.82119 -175.56714 348.99973
655.0000 -179.04709 -176.04241 3.00468 1.80295 -175.87697 338.18190
660.0000 -179.33955 -176.15884 3.18072 1.80731 -175.80286 345.98591
665.0000 -178.79440 -175.82123 2.97317 1.79845 -175.95342 331.85023
670.0000 -178.54024 -176.00296 2.53728 1.78018 -176.26360 317.14872
675.0000 -178.88237 -175.16938 3.71299 1.81300 -175.70613 348.12738
680.0000 -178.61517 -175.17993 3.43524 1.82965 -175.42338 357.36998
685.0000 -178.65183 -174.55040 4.10143 1.86079 -174.89457 388.80830
690.0000 -177.53084 -174.27768 3.25316 1.87900 -174.58521 400.34165
695.0000 -178.18642 -174.95456 3.23186 1.87365 -174.67608 392.78427
700.0000 -178.72977 -175.83886 2.89091 1.82501 -175.50216 354.46731
705.0000 -178.34796 -175.05567 3.29229 1.82183 -175.55628 350.01299
710.0000 -178.27651 -175.63932 2.63720 1.84321 -175.19305 367.94666
715.0000 -178.20326 -175.23669 2.96656 1.83070 -175.40562 363.73357
720.0000 -178.83094 -175.85041 2.98053 1.84238 -175.20713 364.73411
725.0000 -179.03427 -175.43639 3.59788 1.80205 -175.89215 338.50715
730.0000 -178.40327 -175.36028 3.04299 1.84788 -175.11383 376.01562
735.0000 -178.61681 -175.54256 3.07425 1.82573 -175.48991 355.55989
740.0000 -179.09414 -175.34377 3.75037 1.84352 -175.18778 369.25401
745.0000 -178.56626 -175.08454 3.48171 1.83486 -175.33485 355.10130
750.0000 -177.92059 -175.11003 2.81055 1.84904 -175.09400 354.63057
MELTING PROCESS: loop number 4 T-loop= 391.00000000000000
main_MD> interactions number 4 at Temperature= 391.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38745 1.02532 1.58952
force_rgl> df(natom) 0.87332 -1.05036 1.06911
755.0000 -177.74167 -174.05166 3.69001 1.88968 -174.40376 380.63135
760.0000 -177.87083 -173.93731 3.93352 1.91294 -174.00872 397.78266
765.0000 -177.91564 -174.06628 3.84936 1.92736 -173.76375 405.20307
770.0000 -177.33690 -173.31258 4.02432 1.93361 -173.65762 424.74801
775.0000 -177.90866 -174.74446 3.16420 1.92362 -173.82738 417.55731
780.0000 -178.38957 -174.60185 3.78772 1.85898 -174.92517 366.44642
785.0000 -177.49662 -174.30219 3.19444 1.90455 -174.15131 407.45954
790.0000 -176.54738 -173.32411 3.22327 1.90867 -174.08130 403.71083
795.0000 -177.04384 -173.49976 3.54408 1.94547 -173.45622 435.94566
800.0000 -177.40481 -173.61024 3.79457 1.91952 -173.89701 415.50732
805.0000 -177.14534 -173.70351 3.44183 1.94266 -173.50393 445.97619
810.0000 -178.06693 -174.10934 3.95760 1.94250 -173.50670 450.63270
815.0000 -178.47979 -175.12922 3.35057 1.86056 -174.89840 415.10823
820.0000 -178.96394 -175.78267 3.18127 1.80137 -175.90373 366.14628
825.0000 -179.07394 -176.24064 2.83330 1.80300 -175.87607 363.40176
830.0000 -179.01112 -175.81420 3.19692 1.79140 -176.07316 357.46972
835.0000 -179.28305 -175.78580 3.49725 1.80671 -175.81304 372.10322
840.0000 -179.15898 -175.70751 3.45147 1.80954 -175.76502 373.39453
845.0000 -178.91914 -175.62227 3.29687 1.82117 -175.56738 386.40031
850.0000 -178.48397 -175.07539 3.40858 1.82817 -175.44851 392.41866
855.0000 -178.78299 -175.28981 3.49317 1.82397 -175.51982 383.93304
860.0000 -179.09414 -175.18136 3.91279 1.84229 -175.20873 399.83475
865.0000 -178.77600 -175.29916 3.47683 1.83039 -175.41081 387.94821
870.0000 -178.63706 -175.23063 3.40643 1.83607 -175.31436 391.83988
875.0000 -178.42118 -174.77112 3.65006 1.85565 -174.98182 413.87733
880.0000 -178.59327 -175.17126 3.42201 1.85454 -175.00066 413.60181
885.0000 -178.35512 -174.25503 4.10010 1.86828 -174.76729 424.05289
890.0000 -178.71930 -174.94777 3.77153 1.90248 -174.18634 448.39887
895.0000 -178.46004 -174.83318 3.62686 1.85457 -175.00013 405.87305
900.0000 -177.77475 -174.05633 3.71842 1.87555 -174.64373 428.45860
905.0000 -179.08642 -174.75911 4.32731 1.87975 -174.57241 428.36172
910.0000 -178.89879 -175.47255 3.42624 1.84237 -175.20739 400.19888
915.0000 -179.23723 -175.99559 3.24164 1.81400 -175.68920 376.94008
920.0000 -179.07102 -175.46017 3.61084 1.80913 -175.77192 369.75371
925.0000 -178.48440 -174.80236 3.68205 1.85560 -174.98272 407.48865
930.0000 -178.83607 -175.03771 3.79836 1.83646 -175.30768 394.28979
935.0000 -178.64325 -175.20692 3.43633 1.84380 -175.18315 401.42362
940.0000 -178.19710 -174.59214 3.60496 1.86321 -174.85331 419.15635
945.0000 -179.24983 -174.92349 4.32634 1.85896 -174.92561 416.80873
950.0000 -178.84563 -175.00656 3.83908 1.85721 -174.95526 416.61739
955.0000 -178.81403 -175.90522 2.90880 1.84777 -175.11571 404.80328
960.0000 -178.88143 -175.24990 3.63153 1.81984 -175.59008 379.40107
965.0000 -178.76259 -175.37377 3.38882 1.82989 -175.41937 385.27714
970.0000 -178.78926 -175.52842 3.26084 1.82477 -175.50631 381.39246
975.0000 -178.56158 -175.72347 2.83811 1.84550 -175.15423 399.36913
980.0000 -178.52032 -175.17908 3.34124 1.82367 -175.52496 386.14212
985.0000 -178.39405 -174.75988 3.63416 1.85977 -174.91185 419.56698
990.0000 -178.42559 -175.22092 3.20467 1.86448 -174.83184 416.77516
995.0000 -178.93731 -175.75597 3.18134 1.84065 -175.23650 398.99704
1000.0000 -177.82501 -174.36962 3.45539 1.85583 -174.97867 407.53276
MELTING PROCESS: loop number 5 T-loop= 416.00000000000000
main_MD> interactions number 5 at Temperature= 416.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.36548 1.77158 -3.28738
force_rgl> df(natom) -0.36794 -3.50650 0.43642
1005.0000 -178.17125 -174.66053 3.51073 1.89928 -174.24078 445.71783
1010.0000 -178.82471 -174.64668 4.17803 1.89333 -174.34182 437.91064
1015.0000 -179.08228 -176.52387 2.55841 1.82357 -175.52667 381.07654
1020.0000 -179.14219 -176.04781 3.09439 1.78285 -176.21838 349.64984
1025.0000 -178.65713 -175.44477 3.21236 1.81285 -175.70883 370.74355
1030.0000 -178.51382 -175.15443 3.35940 1.83842 -175.27439 393.46948
1035.0000 -178.30109 -174.35789 3.94320 1.85449 -175.00149 383.12573
1040.0000 -178.36570 -173.66779 4.69791 1.89709 -174.27789 437.88054
1045.0000 -178.24577 -174.82090 3.42487 1.91677 -173.94366 442.97093
1050.0000 -177.90214 -173.59310 4.30903 1.93117 -173.69913 461.78370
1055.0000 -178.28030 -173.93311 4.34719 1.92503 -173.80330 454.29402
1060.0000 -177.86012 -173.55497 4.30515 1.91001 -174.05849 442.95935
1065.0000 -178.82215 -174.60326 4.21889 1.90474 -174.14796 437.95158
1070.0000 -178.32134 -175.11221 3.20914 1.86260 -174.86380 404.47184
1075.0000 -178.76515 -175.48983 3.27533 1.84862 -175.10127 392.81714
1080.0000 -178.56657 -175.19212 3.37445 1.81771 -175.62619 367.81516
1085.0000 -178.23988 -174.16865 4.07122 1.87288 -174.68907 413.74654
1090.0000 -178.59270 -175.21957 3.37313 1.86004 -174.90732 404.53908
1095.0000 -178.74195 -175.02008 3.72187 1.85394 -175.01081 395.62337
1100.0000 -178.43222 -175.15153 3.28069 1.86362 -174.84648 408.70753
1105.0000 -178.44500 -174.48542 3.95958 1.86131 -174.88567 406.30905
1110.0000 -178.18342 -174.40899 3.77442 1.90301 -174.17734 439.40783
1115.0000 -178.13970 -173.73423 4.40547 1.91009 -174.05706 441.87260
1120.0000 -177.52480 -173.73966 3.78514 1.89774 -174.26684 437.81688
1125.0000 -177.73589 -174.63927 3.09662 1.90659 -174.11653 442.88003
1130.0000 -178.75443 -174.58867 4.16576 1.88615 -174.46374 431.28078
1135.0000 -178.94373 -175.75821 3.18552 1.86220 -174.87060 402.87146
1140.0000 -178.64672 -175.44157 3.20514 1.83769 -175.28682 383.16854
1145.0000 -178.42634 -175.45802 2.96833 1.83233 -175.37786 379.67519
1150.0000 -178.80739 -175.48377 3.32362 1.83024 -175.41338 375.90215
1155.0000 -178.00512 -174.81639 3.18873 1.83538 -175.32606 383.79380
1160.0000 -178.42213 -174.29968 4.12245 1.84831 -175.10644 394.13983
1165.0000 -178.67074 -175.17426 3.49647 1.84790 -175.11336 396.48102
1170.0000 -177.88341 -174.42015 3.46327 1.85636 -174.96976 398.11074
1175.0000 -178.10187 -174.26680 3.83508 1.91944 -173.89830 449.48403
1180.0000 -178.77741 -175.48541 3.29200 1.85631 -174.97066 407.53514
1185.0000 -178.95577 -175.27164 3.68413 1.81429 -175.68424 373.05004
1190.0000 -178.16186 -174.82269 3.33917 1.86086 -174.89325 412.57615
1195.0000 -177.51976 -172.82114 4.69862 1.90736 -174.10352 450.81954
1200.0000 -178.25967 -174.35118 3.90849 1.93461 -173.64065 481.00844
1205.0000 -178.15765 -174.36799 3.78966 1.90499 -174.14380 449.76935
1210.0000 -178.71871 -174.26937 4.44934 1.88065 -174.55720 433.74971
1215.0000 -178.77844 -174.69135 4.08709 1.90119 -174.20828 445.95870
1220.0000 -178.81330 -174.65375 4.15954 1.87904 -174.58453 436.77179
1225.0000 -179.04219 -175.57381 3.46839 1.85724 -174.95481 418.91855
1230.0000 -178.36434 -174.21797 4.14637 1.87745 -174.61150 420.82634
1235.0000 -178.03522 -173.74614 4.28908 1.90618 -174.12363 450.55918
1240.0000 -178.83740 -174.24603 4.59137 1.90056 -174.21892 448.82453
1245.0000 -178.01138 -174.57806 3.43333 1.90690 -174.11139 454.59497
1250.0000 -178.68103 -174.13874 4.54229 1.88141 -174.54431 430.78017
MELTING PROCESS: loop number 6 T-loop= 441.00000000000000
main_MD> interactions number 6 at Temperature= 441.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.04119 -3.43720 4.29886
force_rgl> df(natom) -1.43209 0.34720 -1.23426
1255.0000 -177.77250 -174.12538 3.64712 1.90166 -174.20024 435.75883
1260.0000 -178.54149 -174.31743 4.22405 1.90651 -174.11791 450.36603
1265.0000 -177.95503 -174.80211 3.15291 1.87446 -174.66227 427.20515
1270.0000 -178.54807 -174.35650 4.19157 1.87383 -174.67303 422.64963
1275.0000 -177.98686 -173.83236 4.15450 1.88996 -174.39902 427.51921
1280.0000 -178.43028 -174.60269 3.82760 1.92376 -173.82488 470.52907
1285.0000 -179.02497 -175.58704 3.43792 1.86112 -174.88895 413.83039
1290.0000 -179.12259 -175.25209 3.87051 1.83170 -175.38862 393.28635
1295.0000 -178.00400 -174.13912 3.86488 1.86720 -174.78570 418.38775
1300.0000 -178.75671 -174.25116 4.50555 1.92612 -173.78483 462.24228
1305.0000 -178.33505 -174.41303 3.92202 1.87267 -174.69270 423.28393
1310.0000 -177.90415 -173.43816 4.46599 1.92365 -173.82688 467.01109
1315.0000 -177.85245 -173.79140 4.06105 1.93374 -173.65543 475.66127
1320.0000 -178.11894 -174.21548 3.90346 1.90282 -174.18057 445.36258
1325.0000 -178.52046 -174.60145 3.91901 1.90269 -174.18282 451.39278
1330.0000 -177.66603 -173.91731 3.74872 1.89963 -174.23485 449.67510
1335.0000 -178.53787 -174.24177 4.29610 1.91122 -174.03800 459.93921
1340.0000 -178.51732 -174.58025 3.93707 1.88321 -174.51369 436.40069
1345.0000 -178.21803 -175.35036 2.86767 1.85794 -174.94296 409.90397
1350.0000 -178.44700 -174.04816 4.39884 1.87284 -174.68989 426.48879
1355.0000 -177.82309 -173.56040 4.26269 1.93792 -173.58451 473.64030
1360.0000 -177.95664 -173.94392 4.01272 1.92927 -173.73133 470.03514
1365.0000 -178.49969 -174.25125 4.24843 1.87547 -174.64512 430.51334
1370.0000 -178.01115 -174.30528 3.70587 1.88428 -174.49552 433.76306
1375.0000 -178.38592 -175.23365 3.15227 1.87339 -174.68043 418.95582
1380.0000 -178.81635 -174.88023 3.93612 1.84635 -175.13975 402.39411
1385.0000 -177.79002 -174.06163 3.72838 1.89758 -174.26961 440.49294
1390.0000 -178.13321 -174.73451 3.39870 1.88853 -174.42332 436.12225
1395.0000 -178.37549 -174.64913 3.72636 1.86735 -174.78307 419.04332
1400.0000 -178.90590 -174.89543 4.01046 1.84520 -175.15925 405.11070
1405.0000 -177.65341 -174.24221 3.41121 1.86912 -174.75294 420.19180
1410.0000 -178.76574 -175.47315 3.29259 1.86152 -174.88216 411.95378
1415.0000 -178.75442 -174.77509 3.97934 1.84544 -175.15525 406.43400
1420.0000 -178.38626 -174.73343 3.65283 1.89997 -174.22895 444.38856
1425.0000 -178.13367 -173.98234 4.15134 1.89506 -174.31250 441.06092
1430.0000 -178.18180 -174.45401 3.72778 1.90450 -174.15211 443.55871
1435.0000 -178.43458 -173.95429 4.48029 1.91562 -173.96321 447.01780
1440.0000 -177.82394 -173.46432 4.35961 1.95239 -173.33867 490.03353
1445.0000 -178.01956 -173.66355 4.35600 1.93318 -173.66489 473.14297
1450.0000 -178.09357 -175.09604 2.99754 1.89975 -174.23270 444.39661
1455.0000 -177.92696 -174.44515 3.48181 1.86864 -174.76114 423.40994
1460.0000 -178.67398 -174.64604 4.02793 1.87506 -174.65207 426.26471
1465.0000 -178.15525 -174.12616 4.02908 1.91079 -174.04519 456.26149
1470.0000 -178.31993 -174.21489 4.10503 1.89854 -174.25326 445.21822
1475.0000 -178.57317 -174.38762 4.18555 1.87876 -174.58934 431.22489
1480.0000 -177.83130 -174.02912 3.80219 1.89458 -174.32049 448.10641
1485.0000 -178.70330 -174.89528 3.80802 1.88806 -174.43132 432.89360
1490.0000 -178.59516 -174.66969 3.92546 1.87283 -174.69004 428.59423
1495.0000 -178.91081 -174.98650 3.92431 1.85229 -175.03891 405.11563
1500.0000 -178.95456 -175.15308 3.80147 1.87042 -174.73096 423.97053
MELTING PROCESS: loop number 7 T-loop= 466.00000000000000
main_MD> interactions number 7 at Temperature= 466.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.53801 -1.79186 2.37513
force_rgl> df(natom) -1.21782 1.63376 -0.59262
1505.0000 -178.04150 -173.85073 4.19078 1.88547 -174.47527 437.00753
1510.0000 -178.14627 -174.36189 3.78438 1.92961 -173.72563 464.98203
1515.0000 -178.21378 -173.99256 4.22122 1.90110 -174.20978 444.58893
1520.0000 -178.23386 -174.27242 3.96145 1.91295 -174.00854 458.36826
1525.0000 -177.44789 -173.17863 4.26925 1.91266 -174.01345 451.11120
1530.0000 -178.45656 -173.89278 4.56378 1.93691 -173.60168 475.22823
1535.0000 -177.80576 -173.47209 4.33367 1.93388 -173.65299 478.73636
1540.0000 -178.11895 -173.75720 4.36175 1.94372 -173.48586 482.61619
1545.0000 -178.92028 -175.30178 3.61850 1.87765 -174.60820 426.19468
1550.0000 -177.52228 -173.68787 3.83441 1.88932 -174.40998 437.40591
1555.0000 -178.29856 -174.48886 3.80971 1.90526 -174.13919 452.38341
1560.0000 -178.07364 -173.90187 4.17177 1.90872 -174.08044 452.34213
1565.0000 -177.57571 -173.23822 4.33749 1.94970 -173.38431 478.82146
1570.0000 -178.24040 -173.67730 4.56310 1.93748 -173.59193 481.74799
1575.0000 -178.05871 -173.46177 4.59694 1.94010 -173.54747 483.37968
1580.0000 -178.34097 -174.33276 4.00821 1.91164 -174.03082 460.48016
1585.0000 -178.33518 -174.37236 3.96282 1.91495 -173.97454 466.68658
1590.0000 -178.04171 -173.98168 4.06003 1.90211 -174.19267 445.35859
1595.0000 -177.66409 -173.54878 4.11531 1.91977 -173.89280 459.58303
1600.0000 -177.52086 -173.60788 3.91298 1.94079 -173.53566 477.64042
1605.0000 -177.31170 -173.01275 4.29895 1.95190 -173.34704 487.37874
1610.0000 -177.94443 -173.81124 4.13319 1.93477 -173.63791 472.92934
1615.0000 -178.10211 -174.03171 4.07041 1.91472 -173.97854 459.18114
1620.0000 -178.40814 -173.67616 4.73197 1.91988 -173.89092 462.31570
1625.0000 -177.73385 -173.36074 4.37311 1.93902 -173.56573 479.03734
1630.0000 -178.10597 -174.14611 3.95986 1.92037 -173.88252 467.43943
1635.0000 -178.05483 -173.69981 4.35502 1.94058 -173.53928 480.87112
1640.0000 -178.60830 -173.77628 4.83203 1.91916 -173.90308 462.59621
1645.0000 -177.69631 -173.12300 4.57331 1.95301 -173.32808 484.17033
1650.0000 -178.75087 -174.30877 4.44210 1.93827 -173.57854 487.62764
1655.0000 -178.04162 -174.04641 3.99521 1.91331 -174.00246 455.14760
1660.0000 -177.28172 -173.37613 3.90560 1.92723 -173.76595 458.99265
1665.0000 -178.02223 -173.89600 4.12623 1.91016 -174.05596 452.15124
1670.0000 -178.00552 -173.64129 4.36423 1.90905 -174.07475 455.72017
1675.0000 -178.44222 -174.11884 4.32338 1.89975 -174.23271 437.14629
1680.0000 -178.76263 -175.07281 3.68982 1.90480 -174.14706 448.70685
1685.0000 -178.09641 -174.11642 3.97999 1.89916 -174.24283 447.33152
1690.0000 -178.30969 -174.50960 3.80008 1.88731 -174.44402 439.73801
1695.0000 -177.94111 -173.24230 4.69881 1.92419 -173.81770 469.87363
1700.0000 -178.74982 -173.69418 5.05564 1.92782 -173.75600 469.19789
1705.0000 -177.63755 -173.13225 4.50531 1.94355 -173.48878 482.05572
1710.0000 -178.08837 -173.79940 4.28897 1.94662 -173.43674 487.82934
1715.0000 -178.31092 -174.62700 3.68392 1.89593 -174.29756 445.46238
1720.0000 -178.85139 -174.54449 4.30690 1.87114 -174.71877 423.83785
1725.0000 -178.50977 -175.07271 3.43706 1.86933 -174.74948 421.49533
1730.0000 -178.39522 -174.25474 4.14047 1.85802 -174.94160 410.25274
1735.0000 -178.69626 -174.70822 3.98804 1.88189 -174.53612 430.61801
1740.0000 -177.51782 -172.98099 4.53684 1.91673 -173.94434 457.73829
1745.0000 -177.80535 -173.36264 4.44270 1.91658 -173.94698 463.55451
1750.0000 -178.44015 -174.10723 4.33292 1.96937 -173.05028 503.85306
MELTING PROCESS: loop number 8 T-loop= 491.00000000000000
main_MD> interactions number 8 at Temperature= 491.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.37159 1.16996 0.05983
force_rgl> df(natom) 0.59432 -0.52957 0.78386
1755.0000 -177.79026 -173.20661 4.58366 1.91677 -173.94376 457.24683
1760.0000 -177.65172 -172.88248 4.76923 1.94786 -173.41565 488.96980
1765.0000 -176.72188 -172.24061 4.48126 1.97993 -172.87095 514.85349
1770.0000 -177.75799 -173.24349 4.51451 2.00836 -172.38803 538.01032
1775.0000 -177.39055 -172.95612 4.43443 1.97710 -172.91894 508.00472
1780.0000 -177.74313 -173.03144 4.71169 1.95504 -173.29360 491.84854
1785.0000 -177.32807 -172.60560 4.72246 1.98466 -172.79053 510.05591
1790.0000 -177.74708 -173.14148 4.60560 1.98280 -172.82217 514.09906
1795.0000 -177.41659 -173.28856 4.12803 1.96327 -173.15385 490.13331
1800.0000 -177.84074 -172.90476 4.93598 1.96104 -173.19183 480.59085
1805.0000 -177.40654 -172.72217 4.68438 2.01041 -172.35328 526.86129
1810.0000 -177.66816 -173.85303 3.81514 1.93606 -173.61605 473.06608
1815.0000 -177.32258 -173.45661 3.86597 1.91206 -174.02369 455.73962
1820.0000 -177.29659 -173.23048 4.06612 1.93261 -173.67460 468.88558
1825.0000 -177.38949 -172.94320 4.44629 1.99930 -172.54192 522.38679
1830.0000 -177.97862 -173.49953 4.47909 1.94265 -173.50404 487.60310
1835.0000 -177.28975 -172.63590 4.65385 1.96982 -173.04268 496.46310
1840.0000 -176.97572 -172.20891 4.76682 1.97986 -172.87212 514.36217
1845.0000 -176.83627 -172.40176 4.43450 1.98802 -172.73352 516.28803
1850.0000 -177.45425 -173.02766 4.42659 1.97372 -172.97643 508.43814
1855.0000 -178.13793 -174.09056 4.04737 1.93683 -173.60293 479.70035
1860.0000 -177.64109 -173.24850 4.39259 1.93381 -173.65423 472.35922
1865.0000 -176.37877 -172.64732 3.73145 1.94198 -173.51549 483.63145
1870.0000 -177.23992 -172.30668 4.93324 2.01940 -172.20056 536.79700
1875.0000 -178.27578 -173.60233 4.67346 2.01520 -172.27191 531.53538
1880.0000 -178.00578 -173.27713 4.72865 1.92970 -173.72413 454.92653
1885.0000 -178.26203 -173.51157 4.75046 1.95988 -173.21144 481.81888
1890.0000 -178.65233 -174.16932 4.48301 1.91973 -173.89339 460.46022
1895.0000 -178.12309 -173.98507 4.13802 1.95556 -173.28481 493.55407
1900.0000 -177.40712 -172.82291 4.58422 1.97947 -172.87878 508.84250
1905.0000 -177.30073 -173.12397 4.17676 1.98182 -172.83877 494.21659
1910.0000 -177.59744 -173.09699 4.50045 1.95045 -173.37169 475.97073
1915.0000 -178.61822 -174.47634 4.14187 1.91837 -173.91644 456.47255
1920.0000 -177.76640 -173.41637 4.35003 1.93793 -173.58423 465.87666
1925.0000 -177.67754 -172.67008 5.00746 1.97170 -173.01062 497.38404
1930.0000 -178.09282 -173.83861 4.25421 1.95692 -173.26177 499.60851
1935.0000 -178.52965 -174.09714 4.43251 1.92866 -173.74165 471.19030
1940.0000 -178.63161 -174.69898 3.93263 1.89982 -174.23154 443.23671
1945.0000 -176.72712 -172.55990 4.16723 1.93879 -173.56974 466.37330
1950.0000 -177.90435 -173.61562 4.28872 1.96094 -173.19351 493.00763
1955.0000 -177.96282 -173.38265 4.58017 1.97555 -172.94526 512.18978
1960.0000 -178.65274 -174.37774 4.27500 1.89246 -174.35657 442.77276
1965.0000 -178.17757 -173.82748 4.35009 1.86620 -174.80267 419.39549
1970.0000 -177.90098 -173.69571 4.20527 1.90993 -174.05990 459.79044
1975.0000 -178.24682 -173.81473 4.43209 1.91664 -173.94591 465.01852
1980.0000 -177.90094 -173.30909 4.59185 1.94591 -173.44869 486.64181
1985.0000 -177.17179 -172.74804 4.42375 1.97432 -172.96626 502.77701
1990.0000 -177.82465 -173.10835 4.71630 1.98419 -172.79846 509.71137
1995.0000 -178.22453 -173.97793 4.24659 1.94798 -173.41357 484.70315
2000.0000 -178.34738 -173.86291 4.48447 1.89938 -174.23904 449.14019
MELTING PROCESS: loop number 9 T-loop= 516.00000000000000
main_MD> interactions number 9 at Temperature= 516.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.38111 0.77893 0.29953
force_rgl> df(natom) 1.02340 0.24004 1.76623
2005.0000 -177.89148 -173.30225 4.58923 1.93895 -173.56690 481.89357
2010.0000 -178.23069 -173.62160 4.60909 1.95629 -173.27251 489.87901
2015.0000 -178.34135 -173.39455 4.94680 1.98135 -172.84676 513.08020
2020.0000 -177.64020 -172.64719 4.99302 1.94830 -173.40817 487.64846
2025.0000 -176.85504 -172.41579 4.43925 1.98128 -172.84796 510.74222
2030.0000 -176.11337 -171.50715 4.60622 2.03732 -171.89607 520.12156
2035.0000 -177.18251 -172.88794 4.29457 2.03610 -171.91683 514.63633
2040.0000 -176.76847 -172.38784 4.38063 2.00748 -172.40300 480.16870
2045.0000 -175.64104 -171.54171 4.09933 2.01717 -172.23835 484.20629
2050.0000 -176.01505 -170.94273 5.07232 2.07433 -171.26745 511.19874
2055.0000 -175.51470 -170.71538 4.79933 2.07622 -171.23539 525.54072
2060.0000 -176.00460 -171.18161 4.82299 2.07813 -171.20305 515.18268
2065.0000 -176.17872 -171.19169 4.98703 2.08646 -171.06145 520.48971
2070.0000 -175.29924 -170.91300 4.38623 2.11190 -170.62938 556.26859
2075.0000 -175.79817 -170.90471 4.89346 2.09297 -170.95088 560.26055
2080.0000 -176.57197 -171.97771 4.59426 2.06825 -171.37084 540.22662
2085.0000 -176.62395 -171.70487 4.91908 2.03085 -172.00603 513.45657
2090.0000 -176.85766 -171.47192 5.38574 2.05820 -171.54150 527.65830
2095.0000 -175.55609 -171.32608 4.23001 2.05162 -171.65333 522.62757
2100.0000 -176.34426 -171.39166 4.95260 2.04315 -171.79708 515.01807
2105.0000 -175.28313 -170.51703 4.76610 2.13177 -170.29188 567.15855
2110.0000 -176.05619 -170.74570 5.31049 2.10769 -170.70086 538.24830
2115.0000 -176.04104 -171.11396 4.92708 2.11228 -170.62288 541.86183
2120.0000 -176.78990 -171.99668 4.79322 2.04144 -171.82620 503.68738
2125.0000 -176.91888 -171.39254 5.52634 2.02849 -172.04615 488.21279
2130.0000 -175.91456 -170.83399 5.08056 2.07946 -171.18045 530.28887
2135.0000 -176.68853 -171.73526 4.95327 2.07715 -171.21959 516.51788
2140.0000 -176.04732 -170.91034 5.13698 2.06763 -171.38134 523.18424
2145.0000 -175.06897 -170.19851 4.87046 2.14024 -170.14812 584.14405
2150.0000 -176.49768 -171.86109 4.63660 2.12170 -170.46301 552.88885
2155.0000 -175.59150 -170.59054 5.00096 2.06730 -171.38694 498.93710
2160.0000 -175.60131 -170.87483 4.72648 2.08287 -171.12244 505.86794
2165.0000 -176.11688 -171.03050 5.08638 2.09988 -170.83348 528.61249
2170.0000 -176.02512 -171.52700 4.49812 2.07957 -171.17853 508.29125
2175.0000 -175.80628 -171.66712 4.13916 2.07031 -171.33577 504.01254
2180.0000 -175.58524 -171.36457 4.22067 2.04372 -171.78745 460.50362
2185.0000 -175.69148 -171.49724 4.19424 2.07328 -171.28536 501.11433
2190.0000 -176.32523 -171.87089 4.45434 2.09482 -170.91956 518.22413
2195.0000 -174.68054 -169.56347 5.11708 2.11883 -170.51172 558.10392
2200.0000 -176.41742 -172.87472 3.54270 2.09193 -170.96866 515.13888
2205.0000 -175.58887 -172.03394 3.55493 2.03101 -172.00338 456.83640
2210.0000 -174.89048 -170.35037 4.54010 2.07931 -171.18293 507.01372
2215.0000 -174.15762 -169.63990 4.51772 2.14425 -170.07987 552.86148
2220.0000 -176.15128 -171.52252 4.62876 2.12447 -170.41587 535.14056
2225.0000 -176.21311 -171.02996 5.18315 2.07230 -171.30205 500.75865
2230.0000 -176.03690 -171.02015 5.01675 2.08591 -171.07088 525.61672
2235.0000 -176.39507 -171.11318 5.28189 2.08904 -171.01769 533.25414
2240.0000 -176.27392 -171.97018 4.30374 2.08557 -171.07655 533.38901
2245.0000 -177.04507 -171.76772 5.27735 2.04560 -171.75551 475.90485
2250.0000 -174.82495 -170.52991 4.29504 2.09397 -170.93394 532.87684
MELTING PROCESS: loop number 10 T-loop= 541.00000000000000
main_MD> interactions number 10 at Temperature= 541.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.41473 0.92861 0.71511
force_rgl> df(natom) -2.89220 1.78813 -1.20053
2255.0000 -176.02788 -171.09039 4.93750 2.09816 -170.86276 517.27332
2260.0000 -175.93143 -171.24835 4.68308 2.09296 -170.95106 517.61483
2265.0000 -175.49654 -170.70124 4.79530 2.06225 -171.47268 478.27591
2270.0000 -175.76886 -170.90026 4.86859 2.10005 -170.83062 509.36500
2275.0000 -176.17237 -170.34464 5.82772 2.11078 -170.64838 517.84284
2280.0000 -174.19010 -169.28915 4.90095 2.17495 -169.55857 566.10913
2285.0000 -175.27848 -169.64415 5.63433 2.19901 -169.14980 599.83241
2290.0000 -173.85800 -168.85938 4.99862 2.19046 -169.29501 575.12394
2295.0000 -174.08585 -169.43924 4.64661 2.19417 -169.23212 547.27566
2300.0000 -174.28256 -168.69762 5.58494 2.21385 -168.89780 565.07235
2305.0000 -174.48780 -169.50328 4.98451 2.20851 -168.98847 585.39006
2310.0000 -174.93313 -169.60299 5.33014 2.17257 -169.59887 581.66538
2315.0000 -174.83167 -168.89151 5.94016 2.19469 -169.22318 574.30769
2320.0000 -175.23666 -169.63171 5.60495 2.19606 -169.19996 602.08127
2325.0000 -175.96971 -171.21558 4.75413 2.11852 -170.51700 550.29401
2330.0000 -174.70635 -169.65863 5.04772 2.08639 -171.06264 525.68254
2335.0000 -174.19724 -169.52722 4.67002 2.13985 -170.15464 550.06862
2340.0000 -175.32691 -169.92632 5.40059 2.14420 -170.08071 563.27579
2345.0000 -175.11967 -170.06809 5.05158 2.16664 -169.69958 571.79876
2350.0000 -176.23483 -170.24806 5.98677 2.10724 -170.70858 538.92304
2355.0000 -175.84169 -170.32369 5.51800 2.11307 -170.60947 508.57740
2360.0000 -174.32486 -169.76524 4.55963 2.16521 -169.72395 552.94873
2365.0000 -174.43718 -168.96691 5.47028 2.17424 -169.57047 569.37897
2370.0000 -173.80564 -169.38270 4.42293 2.17496 -169.55837 572.33079
2375.0000 -175.25410 -170.92407 4.33003 2.14421 -170.08062 531.09046
2380.0000 -174.97581 -170.88849 4.08732 2.09589 -170.90141 503.60667
2385.0000 -174.12316 -170.19679 3.92637 2.12678 -170.37658 517.39909
2390.0000 -174.54518 -169.50313 5.04205 2.14080 -170.13855 513.02742
2395.0000 -174.99452 -169.91723 5.07728 2.16533 -169.72181 575.82480
2400.0000 -175.54295 -170.46067 5.08227 2.14286 -170.10349 555.60351
2405.0000 -174.89956 -169.70506 5.19451 2.13989 -170.15405 566.07339
2410.0000 -175.14581 -169.28010 5.86571 2.19134 -169.28017 588.47120
2415.0000 -175.00408 -170.35728 4.64680 2.16876 -169.66367 576.70475
2420.0000 -175.76339 -169.43817 6.32522 2.16537 -169.72113 590.36408
2425.0000 -175.63488 -170.49305 5.14183 2.16860 -169.66628 604.41482
2430.0000 -174.40796 -170.30722 4.10074 2.09722 -170.87877 553.73568
2435.0000 -175.74665 -171.45407 4.29258 2.09779 -170.86911 522.09162
2440.0000 -176.07155 -171.90029 4.17126 2.05661 -171.56853 496.14635
2445.0000 -175.46267 -170.09728 5.36540 2.08747 -171.04431 514.77729
2450.0000 -174.92121 -170.30273 4.61848 2.12927 -170.33436 535.52522
2455.0000 -174.21460 -168.90158 5.31301 2.17580 -169.54409 563.04766
2460.0000 -173.40866 -169.47587 3.93279 2.17870 -169.49487 564.98637
2465.0000 -176.01448 -170.59300 5.42148 2.14280 -170.10455 542.18953
2470.0000 -176.04186 -170.85781 5.18405 2.10104 -170.81393 514.06343
2475.0000 -174.72250 -169.83420 4.88830 2.12565 -170.39587 535.68781
2480.0000 -174.13875 -169.46162 4.67713 2.14773 -170.02090 556.07449
2485.0000 -174.47332 -169.90305 4.57027 2.17986 -169.47506 579.77252
2490.0000 -175.25285 -170.76493 4.48792 2.12623 -170.38595 543.83251
2495.0000 -174.51389 -169.66365 4.85023 2.15913 -169.82725 563.92455
2500.0000 -175.76762 -171.16075 4.60688 2.11526 -170.57240 532.43076
MELTING PROCESS: loop number 11 T-loop= 566.00000000000000
main_MD> interactions number 11 at Temperature= 566.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90803 -0.35957 1.67285
force_rgl> df(natom) -3.40113 2.10507 1.50547
2505.0000 -175.75998 -171.14711 4.61287 2.07199 -171.30732 505.40912
2510.0000 -175.58080 -170.01373 5.56707 2.11671 -170.54767 531.11669
2515.0000 -175.13375 -169.02793 6.10583 2.18605 -169.36994 576.47848
2520.0000 -174.78641 -170.11131 4.67510 2.19247 -169.26099 596.88208
2525.0000 -174.76270 -169.89359 4.86911 2.12943 -170.33169 550.13974
2530.0000 -175.69006 -170.94269 4.74737 2.13445 -170.24639 545.77993
2535.0000 -175.62144 -170.08824 5.53320 2.11946 -170.50092 568.99718
2540.0000 -175.56371 -169.64273 5.92098 2.17133 -169.61993 611.99507
2545.0000 -175.71922 -170.61743 5.10179 2.12481 -170.41008 570.60229
2550.0000 -176.17992 -171.25654 4.92339 2.11413 -170.59145 540.72598
2555.0000 -175.96407 -170.45109 5.51298 2.11167 -170.63325 536.10554
2560.0000 -175.27031 -170.18242 5.08790 2.12508 -170.40560 527.71697
2565.0000 -174.50124 -169.12347 5.37777 2.15487 -169.89948 558.26402
2570.0000 -174.56352 -169.29288 5.27064 2.17913 -169.48750 581.93404
2575.0000 -175.44852 -169.97971 5.46882 2.14911 -169.99744 564.08761
2580.0000 -174.78891 -169.45529 5.33361 2.17395 -169.57547 567.65921
2585.0000 -174.85224 -170.26089 4.59135 2.17581 -169.54384 569.23255
2590.0000 -174.83785 -168.99041 5.84743 2.17599 -169.54091 562.31004
2595.0000 -173.36088 -168.04181 5.31907 2.23367 -168.56118 599.51483
2600.0000 -174.45148 -169.79154 4.65994 2.19991 -169.13450 590.73568
2605.0000 -175.82900 -170.67873 5.15027 2.12174 -170.46228 535.27809
2610.0000 -174.66834 -170.19293 4.47541 2.14812 -170.01415 545.84504
2615.0000 -174.70399 -169.71204 4.99195 2.17237 -169.60224 561.25497
2620.0000 -174.56903 -169.84623 4.72281 2.16020 -169.80910 549.03151
2625.0000 -175.31669 -170.69156 4.62513 2.14099 -170.13523 555.73182
2630.0000 -174.22034 -169.67646 4.54388 2.13632 -170.21469 525.85840
2635.0000 -175.27005 -170.57259 4.69746 2.13404 -170.25332 549.58777
2640.0000 -175.30441 -170.40315 4.90125 2.12088 -170.47691 554.48094
2645.0000 -173.51903 -169.43985 4.07918 2.16643 -169.70322 583.82266
2650.0000 -174.11688 -169.18691 4.92997 2.17302 -169.59121 581.67344
2655.0000 -174.10424 -168.70435 5.39989 2.20155 -169.10677 578.53575
2660.0000 -174.94174 -169.49446 5.44728 2.19828 -169.16231 573.81555
2665.0000 -174.67534 -168.77595 5.89939 2.17067 -169.63125 558.40483
2670.0000 -174.93688 -168.97987 5.95701 2.22588 -168.69349 599.39999
2675.0000 -174.96724 -169.78200 5.18524 2.16501 -169.72738 582.84525
2680.0000 -174.57621 -169.97378 4.60243 2.17899 -169.48979 586.46253
2685.0000 -174.42470 -169.74731 4.67738 2.17893 -169.49088 574.93169
2690.0000 -175.16963 -170.35804 4.81160 2.14228 -170.11341 549.11198
2695.0000 -174.82628 -169.71189 5.11438 2.15328 -169.92653 553.34848
2700.0000 -174.94760 -169.78979 5.15781 2.17569 -169.54589 574.62794
2705.0000 -174.53542 -170.08848 4.44694 2.12990 -170.32360 536.18800
2710.0000 -175.21432 -170.55817 4.65615 2.10318 -170.77758 514.86593
2715.0000 -174.27165 -169.17956 5.09210 2.14693 -170.03439 547.31464
2720.0000 -174.44268 -169.37258 5.07011 2.20523 -169.04416 578.77979
2725.0000 -174.69668 -169.03523 5.66145 2.21909 -168.80883 576.67473
2730.0000 -173.10782 -168.00745 5.10037 2.21318 -168.90918 584.09938
2735.0000 -174.38830 -168.18912 6.19918 2.24820 -168.31440 608.94581
2740.0000 -175.19146 -169.39347 5.79798 2.21506 -168.87718 601.11601
2745.0000 -174.66394 -169.70596 4.95798 2.17435 -169.56870 572.04974
2750.0000 -174.68742 -169.95773 4.72969 2.14175 -170.12245 553.48346
MELTING PROCESS: loop number 12 T-loop= 591.00000000000000
main_MD> interactions number 12 at Temperature= 591.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.19137 -0.46684 2.31938
force_rgl> df(natom) -0.44409 1.03670 -0.36901
2755.0000 -173.87928 -169.79411 4.08517 2.15872 -169.83411 559.47786
2760.0000 -174.05210 -169.09170 4.96040 2.20743 -169.00690 580.24740
2765.0000 -175.36569 -171.00383 4.36186 2.17493 -169.55891 568.16712
2770.0000 -175.52372 -171.08887 4.43485 2.09276 -170.95441 486.81486
2775.0000 -174.08146 -168.24716 5.83429 2.15907 -169.82817 562.83271
2780.0000 -174.28146 -168.07158 6.20988 2.26674 -167.99951 644.52212
2785.0000 -173.75881 -168.34135 5.41746 2.25203 -168.24934 644.34794
2790.0000 -173.71732 -168.77671 4.94061 2.23980 -168.45701 602.59644
2795.0000 -174.46583 -168.72150 5.74433 2.24605 -168.35089 617.35046
2800.0000 -173.53775 -168.35761 5.18014 2.20482 -169.05115 594.72916
2805.0000 -173.74709 -168.12398 5.62310 2.22500 -168.70834 591.64934
2810.0000 -173.34478 -168.08384 5.26094 2.26636 -168.00596 616.95532
2815.0000 -174.61164 -168.96244 5.64920 2.21806 -168.82622 552.11083
2820.0000 -175.61748 -170.25083 5.36665 2.17064 -169.63176 599.52385
2825.0000 -174.15371 -169.23233 4.92138 2.17930 -169.48455 581.22176
2830.0000 -174.01125 -169.69985 4.31140 2.20878 -168.98385 570.80830
2835.0000 -174.68301 -169.48407 5.19894 2.22082 -168.77933 565.70995
2840.0000 -174.97151 -169.97371 4.99780 2.18753 -169.34484 574.59830
2845.0000 -175.64434 -170.82822 4.81611 2.12391 -170.42534 544.42429
2850.0000 -176.35748 -170.63395 5.72353 2.12090 -170.47652 550.05375
2855.0000 -174.74281 -169.75176 4.99105 2.13189 -170.28979 570.32482
2860.0000 -175.40388 -169.44184 5.96205 2.19642 -169.19376 633.78480
2865.0000 -174.35787 -168.36467 5.99320 2.20738 -169.00759 620.53326
2870.0000 -174.22656 -168.58317 5.64339 2.24871 -168.30566 639.94172
2875.0000 -174.82147 -169.91021 4.91126 2.17893 -169.49084 577.10612
2880.0000 -175.16352 -170.07217 5.09135 2.14703 -170.03272 570.77856
2885.0000 -175.22448 -170.62846 4.59601 2.14993 -169.98349 571.42952
2890.0000 -176.42678 -171.22933 5.19745 2.12169 -170.46316 540.74861
2895.0000 -174.83593 -170.15129 4.68464 2.10471 -170.75151 521.44499
2900.0000 -174.88072 -169.73829 5.14244 2.15984 -169.81516 564.55920
2905.0000 -175.23816 -170.78194 4.45623 2.13253 -170.27906 571.39332
2910.0000 -175.13887 -170.02296 5.11591 2.13937 -170.16286 583.41957
2915.0000 -174.89897 -170.02306 4.87591 2.15501 -169.89722 600.41738
2920.0000 -174.19536 -168.55692 5.63844 2.17105 -169.62465 594.86010
2925.0000 -173.91888 -167.93523 5.98365 2.23219 -168.58635 614.23505
2930.0000 -174.79427 -169.48137 5.31290 2.19711 -169.18208 581.28108
2935.0000 -172.65788 -167.59044 5.06744 2.25533 -168.19327 607.09998
2940.0000 -173.29089 -168.26845 5.02244 2.26831 -167.97285 588.69154
2945.0000 -174.77706 -169.41415 5.36291 2.27686 -167.82757 610.33123
2950.0000 -174.56205 -169.26164 5.30041 2.21861 -168.81692 607.65154
2955.0000 -173.94656 -168.59099 5.35557 2.18301 -169.42164 581.08688
2960.0000 -174.69588 -168.82294 5.87295 2.19157 -169.27614 574.28523
2965.0000 -174.90398 -170.40655 4.49743 2.17818 -169.50356 566.64973
2970.0000 -174.91238 -169.51670 5.39569 2.15844 -169.83885 565.47265
2975.0000 -174.36716 -168.33305 6.03411 2.21216 -168.92642 560.57406
2980.0000 -175.25387 -169.02084 6.23303 2.23148 -168.59832 587.97113
2985.0000 -174.93311 -169.50803 5.42509 2.22798 -168.65772 601.80913
2990.0000 -174.98899 -169.45236 5.53662 2.20220 -169.09566 586.37535
2995.0000 -175.05698 -169.72938 5.32760 2.17349 -169.58327 583.44890
3000.0000 -174.50728 -169.25583 5.25145 2.17174 -169.61308 587.02784
MELTING PROCESS: loop number 13 T-loop= 616.00000000000000
main_MD> interactions number 13 at Temperature= 616.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.87080 3.76531 3.40261
force_rgl> df(natom) -0.59067 -2.50297 -0.82959
3005.0000 -174.16641 -167.93884 6.22757 2.24126 -168.43226 621.74898
3010.0000 -174.03736 -168.35001 5.68734 2.26160 -168.08679 634.10499
3015.0000 -173.55581 -167.67265 5.88316 2.29683 -167.48832 649.17944
3020.0000 -173.78492 -168.90209 4.88283 2.26234 -168.07420 622.94631
3025.0000 -174.90924 -169.17122 5.73803 2.20033 -169.12742 599.46575
3030.0000 -175.56514 -169.88235 5.68279 2.14151 -170.12650 556.27559
3035.0000 -174.95756 -169.83581 5.12175 2.18322 -169.41811 595.76849
3040.0000 -176.47770 -170.53075 5.94695 2.16800 -169.67648 613.66521
3045.0000 -174.49268 -168.79475 5.69792 2.16329 -169.75651 569.93257
3050.0000 -174.31312 -169.76880 4.54432 2.18564 -169.37689 598.43045
3055.0000 -173.81751 -168.43799 5.37953 2.21930 -168.80518 608.93940
3060.0000 -173.32336 -166.92961 6.39375 2.29460 -167.52628 636.25934
3065.0000 -173.79990 -168.02477 5.77513 2.27220 -167.90672 623.86680
3070.0000 -174.49258 -169.06989 5.42269 2.21060 -168.95290 601.77889
3075.0000 -173.65869 -167.52107 6.13762 2.22718 -168.67145 596.92796
3080.0000 -173.73565 -167.93454 5.80111 2.29987 -167.43673 655.56203
3085.0000 -175.46877 -168.97909 6.48968 2.22852 -168.64866 625.52531
3090.0000 -175.33830 -170.72042 4.61788 2.16051 -169.80376 584.66327
3095.0000 -174.08638 -168.29618 5.79021 2.20311 -169.08015 598.16308
3100.0000 -173.09047 -166.65675 6.43372 2.28524 -167.68524 653.01958
3105.0000 -172.35512 -167.37912 4.97600 2.32315 -167.04138 653.04729
3110.0000 -173.91389 -167.44727 6.46662 2.32932 -166.93659 670.61681
3115.0000 -173.55828 -166.98214 6.57614 2.31071 -167.25262 688.24515
3120.0000 -174.85010 -168.45519 6.39491 2.27344 -167.88560 644.88326
3125.0000 -173.88150 -167.20878 6.67272 2.23814 -168.48520 627.63828
3130.0000 -173.90467 -168.30679 5.59788 2.25973 -168.11850 641.46639
3135.0000 -173.39580 -167.70657 5.68922 2.28632 -167.66690 644.04670
3140.0000 -173.77188 -168.64345 5.12843 2.21486 -168.88063 609.58669
3145.0000 -173.99057 -169.26279 4.72778 2.18975 -169.30709 572.82137
3150.0000 -174.44297 -167.53082 6.91215 2.25143 -168.25950 625.84411
3155.0000 -175.02879 -170.15094 4.87785 2.20168 -169.10452 586.94894
3160.0000 -174.10127 -168.30435 5.79691 2.22159 -168.76624 606.83221
3165.0000 -174.09328 -168.99053 5.10275 2.26068 -168.10241 642.85421
3170.0000 -173.66830 -168.63723 5.03107 2.21429 -168.89028 622.18427
3175.0000 -174.88850 -169.20619 5.68231 2.18263 -169.42811 569.13001
3180.0000 -174.16731 -167.82858 6.33873 2.23537 -168.53224 620.63647
3185.0000 -173.98074 -167.92362 6.05712 2.26038 -168.10738 651.50499
3190.0000 -173.92178 -167.80677 6.11501 2.26618 -168.00887 652.18855
3195.0000 -174.74578 -168.74478 6.00100 2.28323 -167.71934 653.50032
3200.0000 -174.48862 -168.03856 6.45006 2.24775 -168.32204 630.05052
3205.0000 -174.68821 -168.80151 5.88670 2.22436 -168.71934 584.53803
3210.0000 -174.48110 -168.79300 5.68810 2.23202 -168.58914 580.11456
3215.0000 -173.86526 -168.98051 4.88475 2.19364 -169.24110 563.85349
3220.0000 -173.58045 -168.57536 5.00509 2.22201 -168.75915 594.40869
3225.0000 -175.50112 -169.88282 5.61830 2.20448 -169.05698 579.09282
3230.0000 -174.17503 -169.19055 4.98449 2.16051 -169.80377 547.10820
3235.0000 -174.58159 -168.68082 5.90077 2.24680 -168.33811 617.68068
3240.0000 -175.18700 -168.97260 6.21440 2.22579 -168.69492 616.82126
3245.0000 -175.62305 -169.21051 6.41254 2.20360 -169.07193 608.94659
3250.0000 -174.65546 -167.29949 7.35597 2.25174 -168.25424 644.74382
MELTING PROCESS: loop number 14 T-loop= 641.00000000000000
main_MD> interactions number 14 at Temperature= 641.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.54219 0.45514 0.94600
force_rgl> df(natom) -3.00998 -2.32625 1.46813
3255.0000 -172.86502 -167.23478 5.63024 2.30171 -167.40545 659.33433
3260.0000 -173.94963 -167.24116 6.70846 2.30862 -167.28818 661.71307
3265.0000 -173.80739 -168.84198 4.96541 2.28347 -167.71521 667.74396
3270.0000 -173.05437 -167.88578 5.16858 2.26602 -168.01167 618.87995
3275.0000 -173.57461 -167.91022 5.66439 2.27486 -167.86157 652.42709
3280.0000 -173.21421 -167.73445 5.47976 2.28988 -167.60632 637.37732
3285.0000 -173.09437 -166.94162 6.15275 2.29760 -167.47521 656.14598
3290.0000 -172.79642 -167.45507 5.34135 2.34547 -166.66221 650.46209
3295.0000 -174.10303 -168.62085 5.48218 2.26700 -167.99504 639.51391
3300.0000 -174.57388 -169.08094 5.49293 2.24485 -168.37121 643.44337
3305.0000 -174.93861 -170.20822 4.73039 2.18829 -169.33193 571.23435
3310.0000 -174.67870 -169.79172 4.88698 2.15630 -169.87526 546.81810
3315.0000 -173.38293 -168.37102 5.01191 2.18907 -169.31864 575.81857
3320.0000 -173.99912 -168.08035 5.91877 2.28532 -167.68393 624.33743
3325.0000 -171.77724 -165.69821 6.07903 2.31377 -167.20067 655.14943
3330.0000 -172.44660 -166.57660 5.87000 2.38076 -166.06289 701.61682
3335.0000 -173.11827 -167.48498 5.63329 2.31344 -167.20618 654.99634
3340.0000 -173.18854 -168.23169 4.95684 2.27525 -167.85485 639.95096
3345.0000 -175.03150 -169.01269 6.01881 2.21090 -168.94793 591.53861
3350.0000 -172.58453 -167.80922 4.77531 2.24235 -168.41366 607.41108
3355.0000 -172.87868 -167.74965 5.12903 2.26061 -168.10358 610.75966
3360.0000 -173.13445 -167.47127 5.66317 2.33484 -166.84275 681.49474
3365.0000 -173.02754 -167.92676 5.10078 2.32384 -167.02952 673.36268
3370.0000 -173.28795 -167.13307 6.15488 2.28871 -167.62626 643.55703
3375.0000 -173.52393 -168.14856 5.37537 2.31879 -167.11545 653.26301
3380.0000 -173.07794 -167.84693 5.23101 2.27337 -167.88684 610.73695
3385.0000 -172.68983 -167.15095 5.53888 2.26390 -168.04767 622.19270
3390.0000 -173.54323 -168.13098 5.41225 2.27371 -167.88112 631.66754
3395.0000 -174.55778 -168.44342 6.11436 2.21939 -168.80372 588.79418
3400.0000 -174.03233 -168.26463 5.76770 2.24565 -168.35772 595.08595
3405.0000 -173.60948 -168.26895 5.34053 2.23322 -168.56881 606.78809
3410.0000 -174.44513 -168.43616 6.00897 2.25257 -168.24006 639.96647
3415.0000 -175.32548 -170.28317 5.04231 2.21997 -168.79388 624.25487
3420.0000 -176.15957 -170.90995 5.24963 2.12599 -170.39005 567.72901
3425.0000 -175.15098 -170.42275 4.72823 2.12033 -170.48624 555.46118
3430.0000 -173.38810 -168.49817 4.88993 2.20070 -169.12109 572.12258
3435.0000 -172.96896 -167.25522 5.71375 2.27113 -167.92490 620.66537
3440.0000 -173.72056 -168.25002 5.47054 2.29404 -167.53582 612.95872
3445.0000 -173.82740 -168.44276 5.38464 2.25507 -168.19760 604.49014
3450.0000 -173.70773 -167.99763 5.71010 2.22343 -168.73512 581.49193
3455.0000 -173.78703 -168.51053 5.27650 2.27989 -167.77603 657.50232
3460.0000 -172.61067 -167.20905 5.40161 2.29010 -167.60270 632.30280
3465.0000 -171.85565 -166.72952 5.12613 2.31789 -167.13063 634.71825
3470.0000 -173.70169 -167.05048 6.65121 2.32400 -167.02683 636.29455
3475.0000 -172.47181 -165.90966 6.56215 2.36809 -166.27809 701.00123
3480.0000 -173.00418 -167.11829 5.88588 2.35841 -166.44237 705.77478
3485.0000 -173.68432 -166.95766 6.72667 2.29712 -167.48341 668.29643
3490.0000 -173.10539 -167.49826 5.60712 2.30870 -167.28678 673.08759
3495.0000 -173.57072 -167.92598 5.64474 2.24950 -168.29221 611.93823
3500.0000 -173.65262 -167.39827 6.25436 2.28172 -167.74501 662.84747
MELTING PROCESS: loop number 15 T-loop= 666.00000000000000
main_MD> interactions number 15 at Temperature= 666.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24614 1.04839 0.34699
force_rgl> df(natom) -3.12567 -5.03031 -0.85089
3505.0000 -172.86543 -166.46535 6.40008 2.34334 -166.69844 693.00314
3510.0000 -172.84412 -166.60566 6.23846 2.36773 -166.28415 703.89248
3515.0000 -172.83153 -166.87269 5.95884 2.29420 -167.53295 653.98895
3520.0000 -172.84500 -167.28613 5.55887 2.34151 -166.72954 672.53472
3525.0000 -173.41837 -167.09935 6.31902 2.34546 -166.66230 701.24113
3530.0000 -173.68085 -167.64537 6.03548 2.29487 -167.52160 669.46870
3535.0000 -172.74137 -168.00587 4.73550 2.25951 -168.12230 609.84346
3540.0000 -173.83772 -166.94556 6.89215 2.25922 -168.12718 623.77530
3545.0000 -172.35923 -166.46260 5.89664 2.35647 -166.47533 713.21946
3550.0000 -172.51637 -165.87494 6.64143 2.33213 -166.88882 684.66164
3555.0000 -172.70662 -167.13226 5.57436 2.34262 -166.71058 689.17158
3560.0000 -172.98704 -167.08080 5.90624 2.32691 -166.97741 661.91489
3565.0000 -172.16522 -165.50052 6.66471 2.35785 -166.45201 691.39303
3570.0000 -172.91266 -167.13768 5.77498 2.30913 -167.27938 650.51200
3575.0000 -172.77916 -165.41855 7.36061 2.37875 -166.09692 705.75697
3580.0000 -172.09698 -165.92898 6.16799 2.39537 -165.81468 753.88743
3585.0000 -173.75022 -167.38862 6.36160 2.32466 -167.01567 657.33101
3590.0000 -174.55009 -168.56541 5.98467 2.28057 -167.76449 653.67753
3595.0000 -173.04213 -166.92884 6.11329 2.27584 -167.84488 647.56892
3600.0000 -172.90857 -167.33589 5.57268 2.33280 -166.87746 672.40767
3605.0000 -171.69572 -165.54900 6.14672 2.38410 -166.00609 712.90025
3610.0000 -173.21142 -166.40311 6.80831 2.38471 -165.99572 702.52677
3615.0000 -171.66221 -165.56139 6.10082 2.37432 -166.17223 713.13847
3620.0000 -172.59852 -165.92867 6.66985 2.40203 -165.70148 742.10888
3625.0000 -174.47398 -168.12123 6.35275 2.31973 -167.09933 673.41431
3630.0000 -174.53659 -168.49400 6.04259 2.23749 -168.49633 593.39038
3635.0000 -172.71329 -167.93597 4.77732 2.28651 -167.66362 628.39968
3640.0000 -173.88767 -167.75672 6.13095 2.28906 -167.62041 637.94480
3645.0000 -172.66755 -167.18374 5.48381 2.31962 -167.10131 659.77762
3650.0000 -171.68289 -166.60350 5.07939 2.35330 -166.52926 685.23389
3655.0000 -174.42262 -168.50186 5.92076 2.30448 -167.35836 666.58529
3660.0000 -173.94166 -167.70800 6.23365 2.27802 -167.80784 654.10742
3665.0000 -173.84006 -168.85611 4.98396 2.26071 -168.10182 647.61804
3670.0000 -173.53101 -167.03529 6.49572 2.24084 -168.43935 621.93750
3675.0000 -173.02555 -167.00723 6.01832 2.36082 -166.40144 700.76241
3680.0000 -174.20915 -168.33911 5.87004 2.33208 -166.88960 685.30746
3685.0000 -173.39242 -167.98798 5.40443 2.25355 -168.22341 625.90582
3690.0000 -174.02024 -167.63760 6.38264 2.26318 -168.05989 650.05225
3695.0000 -174.15509 -168.89091 5.26418 2.25703 -168.16432 625.99744
3700.0000 -172.89043 -166.42115 6.46928 2.26503 -168.02847 636.58012
3705.0000 -171.95122 -165.23951 6.71171 2.37287 -166.19687 729.07977
3710.0000 -172.50840 -165.57397 6.93444 2.43719 -165.10433 747.20005
3715.0000 -172.56599 -167.01471 5.55128 2.39330 -165.84985 723.07160
3720.0000 -172.35899 -167.16965 5.18934 2.34835 -166.61337 703.71280
3725.0000 -174.12013 -167.40145 6.71869 2.33866 -166.77789 697.64750
3730.0000 -173.88845 -168.17188 5.71657 2.31988 -167.09678 680.90051
3735.0000 -173.06669 -166.91302 6.15367 2.26530 -168.02398 636.59953
3740.0000 -174.25711 -168.11584 6.14127 2.27795 -167.80910 674.88644
3745.0000 -173.77222 -167.77229 5.99993 2.27040 -167.93725 633.09313
3750.0000 -172.96158 -167.55716 5.40442 2.26344 -168.05542 631.79068
MELTING PROCESS: loop number 16 T-loop= 691.00000000000000
main_MD> interactions number 16 at Temperature= 691.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.68205 -0.61546 -1.44562
force_rgl> df(natom) 2.11526 -0.93755 2.41173
3755.0000 -173.79520 -167.86956 5.92564 2.29981 -167.43781 648.25836
3760.0000 -172.89739 -166.87391 6.02348 2.28935 -167.61537 649.86963
3765.0000 -173.63628 -167.78171 5.85458 2.33347 -166.86606 699.07514
3770.0000 -174.26041 -168.44939 5.81102 2.24174 -168.42411 636.34158
3775.0000 -174.59185 -168.16281 6.42903 2.26595 -168.01280 641.73663
3780.0000 -172.75621 -167.64647 5.10974 2.29099 -167.58747 668.74786
3785.0000 -173.85938 -168.78261 5.07677 2.25500 -168.19887 615.53114
3790.0000 -172.12519 -166.14501 5.98018 2.33689 -166.80787 642.47686
3795.0000 -174.67140 -167.91741 6.75400 2.33634 -166.81729 689.92337
3800.0000 -173.40802 -167.13397 6.27404 2.28926 -167.61694 660.65350
3805.0000 -174.03546 -168.17607 5.85939 2.27361 -167.88270 648.39250
3810.0000 -174.44559 -168.81162 5.63397 2.28901 -167.62115 651.52691
3815.0000 -173.19382 -165.50376 7.69007 2.31665 -167.15168 677.75436
3820.0000 -172.32679 -166.38272 5.94408 2.39871 -165.75792 747.85677
3825.0000 -172.98561 -166.40609 6.57952 2.37892 -166.09413 708.49086
3830.0000 -172.11647 -164.94900 7.16747 2.38241 -166.03484 719.32116
3835.0000 -172.17315 -165.54512 6.62803 2.42756 -165.26796 726.37573
3840.0000 -171.10962 -164.58713 6.52249 2.44734 -164.93188 748.42659
3845.0000 -171.79415 -165.27048 6.52367 2.45424 -164.81483 786.39261
3850.0000 -173.61595 -166.97575 6.64021 2.36737 -166.29027 722.94204
3855.0000 -171.34031 -165.40770 5.93261 2.37592 -166.14493 710.91550
3860.0000 -170.76749 -164.97832 5.78918 2.44652 -164.94581 702.49166
3865.0000 -173.17184 -166.55079 6.62105 2.38010 -166.07393 705.12938
3870.0000 -174.42275 -168.49180 5.93095 2.29667 -167.49106 685.51616
3875.0000 -172.14332 -166.95080 5.19253 2.27623 -167.83818 625.87906
3880.0000 -171.79981 -165.95333 5.84648 2.37589 -166.14551 713.60050
3885.0000 -173.55736 -166.82059 6.73677 2.35649 -166.47510 685.37814
3890.0000 -172.63123 -166.55328 6.07795 2.38429 -166.00286 698.14167
3895.0000 -173.38761 -166.87438 6.51322 2.34491 -166.67175 666.59089
3900.0000 -173.05474 -167.55079 5.50395 2.31153 -167.23862 664.42510
3905.0000 -171.82052 -166.04689 5.77363 2.29243 -167.56308 643.10564
3910.0000 -173.07878 -166.08631 6.99247 2.40687 -165.61937 727.17618
3915.0000 -173.02711 -167.17536 5.85175 2.33454 -166.84794 674.83367
3920.0000 -172.75436 -166.76156 5.99279 2.31793 -167.12990 680.20746
3925.0000 -172.24834 -165.81097 6.43737 2.40121 -165.71551 738.49421
3930.0000 -172.62775 -165.83493 6.79283 2.40417 -165.66517 713.45165
3935.0000 -171.54815 -164.69666 6.85148 2.39304 -165.85432 717.79143
3940.0000 -171.04610 -165.05723 5.98887 2.43172 -165.19729 738.95976
3945.0000 -171.27472 -165.42302 5.85170 2.44879 -164.90736 736.58872
3950.0000 -173.26664 -166.56368 6.70296 2.42926 -165.23911 725.25601
3955.0000 -173.25670 -167.25000 6.00670 2.31285 -167.21634 664.83250
3960.0000 -172.76746 -166.72679 6.04067 2.36970 -166.25059 704.51903
3965.0000 -172.42932 -167.17089 5.25843 2.30899 -167.28187 646.73847
3970.0000 -172.94540 -166.36242 6.58298 2.32590 -166.99468 636.63508
3975.0000 -173.02373 -168.54293 4.48081 2.31646 -167.15497 660.15513
3980.0000 -173.70428 -166.77862 6.92566 2.28541 -167.68229 622.96678
3985.0000 -173.12387 -167.30050 5.82337 2.38541 -165.98382 693.03472
3990.0000 -171.77237 -165.65257 6.11979 2.36221 -166.37787 661.25718
3995.0000 -170.62558 -165.30214 5.32344 2.42708 -165.27600 678.97179
4000.0000 -171.25965 -164.97573 6.28392 2.44149 -165.03130 711.90855
MELTING PROCESS: loop number 17 T-loop= 716.00000000000000
main_MD> interactions number 17 at Temperature= 716.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.10325 -3.97030 -4.00827
force_rgl> df(natom) -1.87207 -2.99831 -0.94080
4005.0000 -171.84414 -164.22973 7.61441 2.46211 -164.68112 736.18637
4010.0000 -170.38463 -163.09806 7.28657 2.55320 -163.13384 832.83162
4015.0000 -171.03470 -163.16599 7.86871 2.52689 -163.58087 778.86592
4020.0000 -171.78011 -164.84763 6.93248 2.51057 -163.85799 768.91063
4025.0000 -174.12218 -167.55164 6.57055 2.35886 -166.43480 696.94963
4030.0000 -172.93309 -166.59453 6.33857 2.34269 -166.70945 665.54962
4035.0000 -172.51929 -166.47879 6.04050 2.34910 -166.60063 679.61160
4040.0000 -171.34422 -165.77177 5.57245 2.40445 -165.66051 740.87701
4045.0000 -172.00546 -165.80090 6.20455 2.39145 -165.88118 721.58120
4050.0000 -172.00016 -166.75097 5.24919 2.38285 -166.02724 716.98724
4055.0000 -173.54949 -167.13742 6.41207 2.34820 -166.61588 701.57759
4060.0000 -172.81813 -165.63958 7.17855 2.38235 -166.03586 727.11895
4065.0000 -171.84091 -166.42565 5.41526 2.38141 -166.05174 712.98628
4070.0000 -172.21572 -166.06472 6.15100 2.36705 -166.29568 699.02035
4075.0000 -172.26649 -166.28459 5.98190 2.36105 -166.39763 691.04053
4080.0000 -172.25888 -166.46398 5.79490 2.37946 -166.08492 701.53750
4085.0000 -174.02077 -168.60189 5.41888 2.31238 -167.22421 667.19413
4090.0000 -173.47165 -166.72634 6.74531 2.32763 -166.96530 695.61996
4095.0000 -171.91533 -165.82509 6.09025 2.36571 -166.31851 701.48146
4100.0000 -173.39374 -166.20103 7.19271 2.36563 -166.31981 682.12058
4105.0000 -171.51624 -165.19178 6.32446 2.39866 -165.75882 744.17104
4110.0000 -171.19568 -166.57103 4.62464 2.41091 -165.55080 718.05988
4115.0000 -171.87913 -166.26622 5.61290 2.35058 -166.57541 667.78495
4120.0000 -172.61504 -165.98898 6.62605 2.36815 -166.27701 690.68065
4125.0000 -172.24370 -165.51035 6.73335 2.39908 -165.75156 727.70280
4130.0000 -172.93531 -167.42422 5.51109 2.34123 -166.73414 657.62719
4135.0000 -172.41452 -166.19041 6.22410 2.32444 -167.01938 666.95160
4140.0000 -170.93878 -164.44372 6.49506 2.43058 -165.21665 737.17945
4145.0000 -172.12989 -166.34935 5.78055 2.41476 -165.48537 720.64660
4150.0000 -172.75648 -165.60182 7.15466 2.40495 -165.65201 722.29083
4155.0000 -171.44144 -164.87076 6.57068 2.45977 -164.72082 776.68367
4160.0000 -172.36275 -165.09526 7.26749 2.38300 -166.02469 688.38333
4165.0000 -173.01586 -165.20731 7.80855 2.46457 -164.63930 774.36842
4170.0000 -171.65062 -165.79845 5.85217 2.42781 -165.26363 745.61995
4175.0000 -171.26245 -165.39681 5.86564 2.39757 -165.77726 702.32821
4180.0000 -171.06976 -165.02357 6.04620 2.42620 -165.29109 706.90606
4185.0000 -171.68783 -163.40417 8.28366 2.48846 -164.23346 752.87618
4190.0000 -172.24081 -166.39672 5.84409 2.41755 -165.43789 745.07256
4195.0000 -172.99768 -166.49975 6.49793 2.37246 -166.20386 720.10658
4200.0000 -171.17136 -163.48948 7.68188 2.44612 -164.95269 751.88103
4205.0000 -172.36464 -165.59526 6.76938 2.50782 -163.90474 802.15762
4210.0000 -170.73756 -164.48853 6.24903 2.45829 -164.74594 769.16760
4215.0000 -171.28621 -163.40579 7.88042 2.50701 -163.91845 775.28810
4220.0000 -171.59541 -165.43401 6.16140 2.47112 -164.52810 761.47075
4225.0000 -172.94835 -166.75022 6.19813 2.39834 -165.76425 732.63743
4230.0000 -172.48481 -166.90349 5.58132 2.38520 -165.98742 700.40859
4235.0000 -173.28868 -165.57346 7.71522 2.38485 -165.99330 707.97405
4240.0000 -173.45373 -167.25873 6.19499 2.33748 -166.79785 682.92000
4245.0000 -172.71234 -166.25815 6.45419 2.36089 -166.40029 704.60630
4250.0000 -171.75118 -165.35327 6.39791 2.38921 -165.91924 714.17309
MELTING PROCESS: loop number 18 T-loop= 741.00000000000000
main_MD> interactions number 18 at Temperature= 741.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.45732 1.64754 -1.94519
force_rgl> df(natom) -2.35269 3.69702 -0.76396
4255.0000 -171.96263 -165.39383 6.56880 2.40837 -165.59383 732.09671
4260.0000 -171.98927 -165.38410 6.60517 2.43414 -165.15608 757.68884
4265.0000 -172.67192 -166.18608 6.48584 2.42957 -165.23371 758.11912
4270.0000 -171.92183 -164.45414 7.46769 2.45112 -164.86782 764.73833
4275.0000 -171.82900 -164.60805 7.22095 2.47902 -164.39391 788.11156
4280.0000 -171.11677 -164.70711 6.40965 2.48278 -164.33006 762.29130
4285.0000 -171.55262 -165.66840 5.88422 2.44932 -164.89826 739.34431
4290.0000 -172.08943 -166.29509 5.79434 2.37177 -166.21558 664.26895
4295.0000 -173.43103 -166.33075 7.10027 2.38207 -166.04057 695.50092
4300.0000 -171.85600 -165.60439 6.25161 2.38587 -165.97602 716.79284
4305.0000 -171.85765 -164.61390 7.24375 2.42387 -165.33056 753.33236
4310.0000 -170.84240 -164.73187 6.11054 2.45044 -164.87929 748.22664
4315.0000 -172.08532 -164.87590 7.20942 2.47096 -164.53080 772.79007
4320.0000 -170.36066 -164.14563 6.21503 2.46800 -164.58096 755.04892
4325.0000 -170.81853 -164.10082 6.71771 2.50626 -163.93127 785.38055
4330.0000 -171.06874 -165.03447 6.03427 2.48185 -164.34585 748.00317
4335.0000 -171.30103 -164.56929 6.73173 2.45064 -164.87591 760.83477
4340.0000 -171.87467 -164.62396 7.25071 2.45462 -164.80836 752.96276
4345.0000 -172.01375 -164.54879 7.46496 2.45294 -164.83679 753.32279
4350.0000 -171.05236 -163.81518 7.23718 2.49108 -164.18907 775.68979
4355.0000 -170.11615 -163.58959 6.52657 2.51000 -163.86768 809.85957
4360.0000 -173.19043 -167.00613 6.18430 2.42208 -165.36097 737.44943
4365.0000 -172.45589 -165.97621 6.47968 2.36545 -166.32285 688.99998
4370.0000 -172.52904 -166.56378 5.96526 2.36006 -166.41445 684.74203
4375.0000 -173.92303 -167.43665 6.48637 2.33448 -166.84885 671.49139
4380.0000 -171.71187 -165.44864 6.26322 2.35321 -166.53069 716.40424
4385.0000 -172.41401 -164.25506 8.15895 2.47251 -164.50437 777.32164
4390.0000 -170.76478 -163.60186 7.16293 2.50039 -164.03093 782.61442
4395.0000 -172.77706 -165.95466 6.82240 2.46346 -164.65813 734.25336
4400.0000 -172.64564 -166.10259 6.54305 2.37815 -166.10710 697.23185
4405.0000 -173.88618 -167.17029 6.71589 2.38193 -166.04292 718.79349
4410.0000 -172.40712 -166.18263 6.22449 2.35285 -166.53683 668.26476
4415.0000 -172.92019 -166.99295 5.92724 2.38361 -166.01446 684.26657
4420.0000 -172.66847 -166.30656 6.36190 2.38135 -166.05284 736.27977
4425.0000 -173.54410 -167.69531 5.84879 2.33738 -166.79960 709.94391
4430.0000 -171.69047 -165.37222 6.31826 2.35082 -166.57126 707.94130
4435.0000 -172.25633 -165.78511 6.47122 2.42786 -165.26289 726.25666
4440.0000 -171.01299 -164.56831 6.44468 2.43813 -165.08833 739.35240
4445.0000 -171.71356 -164.44752 7.26604 2.44181 -165.02579 761.56688
4450.0000 -171.15800 -163.61731 7.54070 2.50502 -163.95227 820.68690
4455.0000 -171.85862 -165.10324 6.75538 2.48437 -164.30302 805.82017
4460.0000 -172.11650 -165.36986 6.74664 2.42807 -165.25925 749.89199
4465.0000 -173.04690 -167.04910 5.99780 2.36043 -166.40807 712.47979
4470.0000 -173.47126 -166.80265 6.66862 2.30613 -167.33033 649.29929
4475.0000 -171.82549 -163.69624 8.12925 2.40524 -165.64706 735.88662
4480.0000 -172.19335 -165.64680 6.54656 2.50146 -164.01267 792.26694
4485.0000 -171.47942 -165.24340 6.23602 2.41366 -165.50402 722.23590
4490.0000 -173.32127 -165.11387 8.20741 2.45505 -164.80096 753.02305
4495.0000 -171.97003 -165.60128 6.36875 2.43862 -165.08009 748.94931
4500.0000 -172.09431 -165.48372 6.61059 2.40979 -165.56966 730.52997
MELTING PROCESS: loop number 19 T-loop= 766.00000000000000
main_MD> interactions number 19 at Temperature= 766.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.41260 -2.76501 2.67994
force_rgl> df(natom) -1.20661 -2.64303 1.22956
4505.0000 -171.97841 -165.34576 6.63264 2.39417 -165.83504 721.54310
4510.0000 -172.29207 -165.76921 6.52286 2.41682 -165.45035 749.36329
4515.0000 -172.31960 -164.72998 7.58962 2.39461 -165.82762 694.17597
4520.0000 -171.81823 -164.54056 7.27767 2.45951 -164.72530 769.24531
4525.0000 -170.93226 -164.01323 6.91903 2.49478 -164.12617 784.39392
4530.0000 -170.89681 -164.81462 6.08219 2.48771 -164.24623 780.69549
4535.0000 -170.15612 -162.32004 7.83607 2.51142 -163.84360 783.19660
4540.0000 -170.34158 -163.63463 6.70695 2.55244 -163.14677 839.88428
4545.0000 -171.76195 -163.87070 7.89125 2.52017 -163.69492 809.73688
4550.0000 -171.27189 -164.25315 7.01875 2.50340 -163.97972 777.09514
4555.0000 -172.03668 -164.44482 7.59185 2.49155 -164.18104 769.15401
4560.0000 -171.82247 -165.19975 6.62271 2.45752 -164.75905 756.54142
4565.0000 -173.20342 -167.32580 5.87762 2.39812 -165.76800 725.22475
4570.0000 -172.43711 -166.17654 6.26056 2.34556 -166.66070 688.83432
4575.0000 -171.87114 -165.57516 6.29598 2.36023 -166.41154 710.82482
4580.0000 -171.90069 -165.48316 6.41753 2.42586 -165.29671 757.52473
4585.0000 -172.44292 -166.39482 6.04810 2.37227 -166.20700 716.60341
4590.0000 -172.65160 -166.03833 6.61327 2.35440 -166.51045 679.95159
4595.0000 -171.64300 -165.07280 6.57019 2.42355 -165.33596 724.84932
4600.0000 -171.44928 -165.08261 6.36667 2.44566 -164.96055 725.38017
4605.0000 -171.86459 -163.90760 7.95700 2.47681 -164.43135 766.94425
4610.0000 -170.91401 -163.10653 7.80749 2.50282 -163.98961 769.90512
4615.0000 -170.92118 -164.13339 6.78779 2.51443 -163.79239 808.12054
4620.0000 -170.98581 -164.17634 6.80947 2.50729 -163.91377 764.53042
4625.0000 -172.76689 -165.47726 7.28963 2.44840 -164.91393 775.22069
4630.0000 -172.09435 -164.85364 7.24071 2.40664 -165.62317 739.66632
4635.0000 -171.57976 -163.49515 8.08460 2.46934 -164.55836 752.64325
4640.0000 -172.01971 -164.79538 7.22433 2.51676 -163.75278 802.88146
4645.0000 -171.31265 -165.19732 6.11533 2.43728 -165.10285 747.76735
4650.0000 -170.71012 -165.00459 5.70554 2.40163 -165.70833 714.12635
4655.0000 -172.02575 -164.70772 7.31803 2.48203 -164.34278 778.40354
4660.0000 -172.86740 -165.60686 7.26054 2.41902 -165.41296 731.75052
4665.0000 -171.66921 -165.47391 6.19530 2.37518 -166.15751 702.78280
4670.0000 -171.10122 -163.44935 7.65187 2.44484 -164.97437 754.01272
4675.0000 -169.77094 -160.89727 8.87367 2.59019 -162.50561 848.36051
4680.0000 -171.10546 -164.72686 6.37859 2.55624 -163.08225 841.87588
4685.0000 -172.14310 -165.12537 7.01773 2.40927 -165.57851 714.03281
4690.0000 -170.09166 -162.89487 7.19680 2.53242 -163.48686 784.69939
4695.0000 -171.11766 -163.16454 7.95313 2.54493 -163.27432 795.26704
4700.0000 -170.46553 -164.39573 6.06980 2.49722 -164.08471 775.95336
4705.0000 -170.76729 -163.64724 7.12005 2.44486 -164.97409 727.80506
4710.0000 -171.34246 -165.06393 6.27853 2.50226 -163.99916 792.14219
4715.0000 -170.55596 -163.22042 7.33555 2.51014 -163.86532 778.43865
4720.0000 -170.51694 -163.65257 6.86436 2.49328 -164.15169 782.53535
4725.0000 -170.59043 -163.77727 6.81316 2.51836 -163.72570 794.81074
4730.0000 -171.68079 -164.88433 6.79646 2.46281 -164.66923 744.90862
4735.0000 -172.16043 -165.82298 6.33745 2.41027 -165.56156 711.09069
4740.0000 -171.08126 -164.32691 6.75435 2.45967 -164.72261 763.63633
4745.0000 -170.17623 -162.46871 7.70752 2.52829 -163.55693 804.46104
4750.0000 -171.11820 -163.25976 7.85844 2.56722 -162.89571 826.41761
MELTING PROCESS: loop number 20 T-loop= 791.00000000000000
main_MD> interactions number 20 at Temperature= 791.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.85631 -0.82469 2.39517
force_rgl> df(natom) 0.93761 0.01180 -3.40644
4755.0000 -171.58503 -164.13395 7.45108 2.52274 -163.65130 828.22434
4760.0000 -171.54697 -165.75480 5.79217 2.46373 -164.65357 754.95118
4765.0000 -171.09526 -164.49957 6.59569 2.44584 -164.95734 755.97226
4770.0000 -172.27998 -166.07339 6.20659 2.41626 -165.45987 748.76733
4775.0000 -170.79978 -163.17387 7.62591 2.43665 -165.11359 734.90485
4780.0000 -171.00985 -163.95669 7.05316 2.51945 -163.70716 799.21150
4785.0000 -171.39387 -164.01393 7.37993 2.50944 -163.87720 776.41574
4790.0000 -171.86407 -165.24557 6.61850 2.47914 -164.39177 786.28011
4795.0000 -171.62979 -163.73189 7.89790 2.50343 -163.97924 806.63691
4800.0000 -170.17379 -161.94622 8.22757 2.54895 -163.20603 825.61835
4805.0000 -171.26643 -163.66881 7.59763 2.60093 -162.32319 837.37347
4810.0000 -171.26535 -163.85438 7.41097 2.50972 -163.87248 813.06620
4815.0000 -171.63004 -164.87296 6.75708 2.46679 -164.60161 773.12140
4820.0000 -172.80870 -166.46760 6.34110 2.41260 -165.52193 719.87299
4825.0000 -170.99208 -164.99929 5.99279 2.39955 -165.74361 725.71447
4830.0000 -171.89548 -164.45365 7.44183 2.46364 -164.65513 759.96664
4835.0000 -172.80083 -165.18629 7.61454 2.47222 -164.50943 762.89979
4840.0000 -171.36649 -163.43491 7.93158 2.50053 -164.02846 762.08061
4845.0000 -171.46461 -164.27008 7.19453 2.48279 -164.32983 754.56447
4850.0000 -169.48782 -162.41630 7.07152 2.53963 -163.36446 814.79293
4855.0000 -169.03848 -161.56110 7.47739 2.59453 -162.43193 839.17423
4860.0000 -171.14781 -163.49646 7.65134 2.54774 -163.22672 833.83481
4865.0000 -171.13294 -164.37021 6.76272 2.47261 -164.50270 764.32819
4870.0000 -170.92606 -164.16823 6.75783 2.43354 -165.16631 725.99998
4875.0000 -169.38852 -161.06117 8.32735 2.57713 -162.72755 818.60523
4880.0000 -171.12065 -163.33589 7.78476 2.60353 -162.27914 866.92537
4885.0000 -170.04372 -162.25822 7.78550 2.56406 -162.94950 831.33951
4890.0000 -168.14445 -160.77200 7.37245 2.61191 -162.13669 858.31745
4895.0000 -170.27784 -161.29202 8.98582 2.62746 -161.87269 865.53321
4900.0000 -169.61121 -162.59267 7.01854 2.61896 -162.01691 877.90367
4905.0000 -168.65855 -162.26468 6.39387 2.59863 -162.36232 859.79249
4910.0000 -170.40828 -163.06230 7.34599 2.55759 -163.05929 820.52186
4915.0000 -170.82539 -164.19878 6.62661 2.58029 -162.67380 837.52605
4920.0000 -171.99281 -164.96564 7.02717 2.48499 -164.29242 771.69128
4925.0000 -171.22289 -163.70651 7.51638 2.44287 -165.00784 730.06155
4930.0000 -171.67577 -164.96749 6.70828 2.45160 -164.85966 770.73312
4935.0000 -171.06690 -163.55523 7.51167 2.49209 -164.17189 777.57393
4940.0000 -169.62738 -162.43934 7.18805 2.56118 -162.99835 838.86320
4945.0000 -169.96295 -163.86361 6.09934 2.52726 -163.57446 807.83232
4950.0000 -171.10062 -163.27320 7.82742 2.55081 -163.17443 811.70337
4955.0000 -171.19736 -163.85596 7.34140 2.50851 -163.89299 768.39299
4960.0000 -172.27867 -164.64455 7.63412 2.47369 -164.48442 761.11674
4965.0000 -169.60219 -163.36791 6.23428 2.48292 -164.32765 750.20685
4970.0000 -169.32909 -162.67260 6.65649 2.58866 -162.53162 830.56565
4975.0000 -170.15468 -162.83966 7.31502 2.57750 -162.72126 825.07821
4980.0000 -169.32927 -161.98017 7.34911 2.60956 -162.17663 838.36538
4985.0000 -170.53974 -162.08886 8.45088 2.63583 -161.73037 834.99864
4990.0000 -170.41562 -162.68069 7.73493 2.60897 -162.18659 861.56345
4995.0000 -171.38286 -164.87643 6.50643 2.51174 -163.83820 755.98905
5000.0000 -171.39165 -163.45756 7.93409 2.50157 -164.01087 761.18964
MELTING PROCESS: loop number 21 T-loop= 816.00000000000000
main_MD> interactions number 21 at Temperature= 816.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96082 2.50303 1.57002
force_rgl> df(natom) -1.17417 -0.91244 -0.72682
5005.0000 -170.98074 -163.61186 7.36888 2.54608 -163.25491 804.55638
5010.0000 -171.38994 -164.35973 7.03021 2.48310 -164.32461 753.56006
5015.0000 -171.50051 -163.72317 7.77735 2.46743 -164.59078 744.47990
5020.0000 -170.76929 -163.91662 6.85267 2.47087 -164.53235 777.81910
5025.0000 -169.94623 -162.01469 7.93154 2.55630 -163.08127 812.05337
5030.0000 -170.09541 -161.79330 8.30211 2.61816 -162.03058 866.14896
5035.0000 -170.73047 -163.57720 7.15327 2.58945 -162.51825 850.78162
5040.0000 -170.65157 -162.71799 7.93358 2.57481 -162.76688 865.00730
5045.0000 -169.85398 -162.38267 7.47131 2.57915 -162.69314 841.80742
5050.0000 -172.88644 -166.39845 6.48799 2.46197 -164.68339 763.42953
5055.0000 -170.76995 -163.85228 6.91767 2.43141 -165.20247 763.37814
5060.0000 -171.09472 -164.65878 6.43594 2.50725 -163.91445 811.33927
5065.0000 -171.48311 -165.29979 6.18331 2.43795 -165.09150 752.50432
5070.0000 -170.98068 -164.23821 6.74247 2.46138 -164.69342 741.75968
5075.0000 -170.93088 -162.88731 8.04358 2.48824 -164.23733 765.60636
5080.0000 -171.79151 -164.66766 7.12385 2.51256 -163.82420 791.78409
5085.0000 -172.18108 -163.91103 8.27005 2.46982 -164.55019 783.52936
5090.0000 -170.57460 -164.26102 6.31358 2.49602 -164.10513 819.51078
5095.0000 -170.11146 -163.23779 6.87367 2.54544 -163.26579 813.33099
5100.0000 -171.04908 -163.37777 7.67131 2.54340 -163.30043 787.60989
5105.0000 -170.08463 -162.41813 7.66650 2.55685 -163.07187 809.66034
5110.0000 -169.21378 -162.50882 6.70495 2.56453 -162.94155 805.73086
5115.0000 -170.11107 -161.38332 8.72775 2.65173 -161.46036 850.93814
5120.0000 -169.70696 -160.81069 8.89627 2.67364 -161.08819 892.29011
5125.0000 -170.54138 -162.20296 8.33843 2.65502 -161.40450 877.11862
5130.0000 -170.21454 -161.36663 8.84790 2.64638 -161.55132 858.30883
5135.0000 -170.19412 -162.10817 8.08595 2.62097 -161.98278 845.52382
5140.0000 -169.06354 -162.29359 6.76994 2.54379 -163.29367 816.50712
5145.0000 -171.30821 -164.20664 7.10158 2.56247 -162.97650 801.68608
5150.0000 -171.90014 -164.05803 7.84211 2.48218 -164.34020 740.45629
5155.0000 -170.94057 -163.83741 7.10315 2.50633 -163.93008 787.00538
5160.0000 -170.63443 -163.43812 7.19631 2.48307 -164.32512 750.44032
5165.0000 -171.07924 -163.27961 7.79962 2.53860 -163.38195 789.38523
5170.0000 -169.97907 -163.16749 6.81158 2.55151 -163.16269 796.12867
5175.0000 -170.62778 -163.23932 7.38846 2.58417 -162.60784 849.92351
5180.0000 -170.46425 -162.97847 7.48578 2.53005 -163.52709 770.89850
5185.0000 -170.91288 -163.49262 7.42026 2.58963 -162.51507 807.94242
5190.0000 -170.11456 -163.24818 6.86638 2.52490 -163.61467 806.10942
5195.0000 -171.10206 -163.37086 7.73121 2.53724 -163.40499 830.59145
5200.0000 -170.07620 -163.00906 7.06715 2.55918 -163.03231 835.40190
5205.0000 -169.59314 -162.57682 7.01633 2.56895 -162.86636 834.55580
5210.0000 -171.43271 -163.61907 7.81364 2.56217 -162.98150 845.67697
5215.0000 -170.64819 -162.93201 7.71617 2.51096 -163.85143 812.93941
5220.0000 -169.46929 -161.47369 7.99560 2.60156 -162.31253 824.13263
5225.0000 -169.71133 -161.45694 8.25439 2.63085 -161.81499 889.03407
5230.0000 -169.82396 -162.92657 6.89739 2.59989 -162.34095 841.23867
5235.0000 -170.17415 -163.18836 6.98579 2.52825 -163.55765 776.42232
5240.0000 -171.05445 -163.63833 7.41612 2.50628 -163.93093 795.64099
5245.0000 -169.43109 -161.75545 7.67563 2.55013 -163.18612 803.71047
5250.0000 -169.32862 -160.95905 8.36957 2.66947 -161.15908 908.23916
MELTING PROCESS: loop number 22 T-loop= 841.00000000000000
main_MD> interactions number 22 at Temperature= 841.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.56758 -0.21999 -2.46593
force_rgl> df(natom) 1.83563 0.12898 1.10895
5255.0000 -169.61439 -162.27690 7.33749 2.67303 -161.09852 904.71022
5260.0000 -171.10968 -163.67615 7.43353 2.58244 -162.63733 842.31509
5265.0000 -171.19910 -163.95793 7.24118 2.52801 -163.56169 781.50301
5270.0000 -172.74266 -165.65670 7.08597 2.48444 -164.30183 790.93784
5275.0000 -169.21413 -161.42294 7.79119 2.56280 -162.97088 863.61323
5280.0000 -170.39872 -162.52913 7.86959 2.59320 -162.45449 842.73769
5285.0000 -170.35840 -163.57485 6.78356 2.53443 -163.45267 820.53401
5290.0000 -169.89604 -161.83763 8.05841 2.58466 -162.59957 832.60437
5295.0000 -169.43110 -161.06212 8.36898 2.67598 -161.04852 932.82692
5300.0000 -171.11688 -162.92732 8.18956 2.60014 -162.33663 844.43869
5305.0000 -170.48817 -163.01371 7.47446 2.57170 -162.81973 831.50813
5310.0000 -168.04601 -161.44284 6.60317 2.59161 -162.48146 830.95826
5315.0000 -170.06888 -162.05774 8.01113 2.67692 -161.03249 898.33219
5320.0000 -170.73367 -162.99293 7.74074 2.57452 -162.77183 844.64055
5325.0000 -170.12381 -162.61999 7.50382 2.58971 -162.51381 822.76038
5330.0000 -170.61179 -162.92126 7.69054 2.57606 -162.74569 839.83932
5335.0000 -171.68194 -164.71045 6.97149 2.48130 -164.35516 791.32753
5340.0000 -171.13347 -162.00869 9.12479 2.49535 -164.11642 804.30195
5345.0000 -172.14002 -162.89048 9.24953 2.55730 -163.06432 821.86600
5350.0000 -172.10568 -163.74022 8.36546 2.56945 -162.85792 838.98329
5355.0000 -171.19082 -163.69129 7.49953 2.57005 -162.84771 855.19702
5360.0000 -170.88599 -163.70667 7.17932 2.54032 -163.35265 805.51077
5365.0000 -169.54986 -162.24465 7.30522 2.58098 -162.66206 835.43830
5370.0000 -169.51274 -162.41090 7.10185 2.56956 -162.85604 848.67082
5375.0000 -169.95979 -161.35529 8.60450 2.60646 -162.22931 872.35379
5380.0000 -171.95752 -165.10593 6.85159 2.49561 -164.11215 785.62398
5385.0000 -170.72581 -164.47823 6.24758 2.40542 -165.64390 718.16601
5390.0000 -170.94898 -164.22747 6.72151 2.51005 -163.86689 802.51037
5395.0000 -171.01167 -164.31385 6.69782 2.47174 -164.51744 754.80399
5400.0000 -170.69980 -163.67799 7.02181 2.50698 -163.91904 778.14155
5405.0000 -169.70187 -162.51555 7.18631 2.56644 -162.90898 819.90205
5410.0000 -170.49103 -163.42450 7.06653 2.58393 -162.61204 839.42025
5415.0000 -170.42517 -162.33526 8.08991 2.57851 -162.70406 845.31316
5420.0000 -169.01450 -161.18700 7.82750 2.60453 -162.26201 849.28081
5425.0000 -166.75434 -159.01627 7.73806 2.74614 -159.85687 936.58262
5430.0000 -167.78128 -158.74752 9.03376 2.73890 -159.97980 947.92083
5435.0000 -170.14017 -161.80151 8.33866 2.68091 -160.96480 907.57922
5440.0000 -169.80299 -163.07939 6.72359 2.59578 -162.41069 854.41950
5445.0000 -170.17163 -163.05298 7.11865 2.55253 -163.14533 828.56376
5450.0000 -169.31822 -161.63853 7.67969 2.60852 -162.19434 856.92015
5455.0000 -171.07929 -162.61789 8.46140 2.61206 -162.13425 864.17941
5460.0000 -169.93353 -163.56634 6.36719 2.58701 -162.55958 849.06988
5465.0000 -169.76830 -162.97666 6.79164 2.55857 -163.04269 798.76570
5470.0000 -168.72754 -161.50927 7.21826 2.59135 -162.48589 835.97905
5475.0000 -169.78970 -161.52190 8.26780 2.67140 -161.12637 894.78476
5480.0000 -170.51552 -162.97122 7.54429 2.57227 -162.81008 837.77062
5485.0000 -171.15063 -164.34224 6.80839 2.53984 -163.36077 821.31359
5490.0000 -170.90199 -163.46305 7.43894 2.50260 -163.99331 782.66059
5495.0000 -169.42361 -161.61346 7.81015 2.57002 -162.84831 821.07221
5500.0000 -170.15201 -161.78904 8.36297 2.65063 -161.47906 865.23239
MELTING PROCESS: loop number 23 T-loop= 866.00000000000000
main_MD> interactions number 23 at Temperature= 866.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.05418 0.35518 2.86019
force_rgl> df(natom) -1.25123 1.53553 -1.35354
5505.0000 -167.69663 -161.12932 6.56731 2.68199 -160.94639 906.51415
5510.0000 -169.79073 -161.52812 8.26261 2.68929 -160.82236 913.50713
5515.0000 -169.98450 -162.61361 7.37090 2.62516 -161.91164 872.54747
5520.0000 -170.50589 -163.25791 7.24797 2.56570 -162.92154 838.26852
5525.0000 -171.02387 -164.01429 7.00958 2.50061 -164.02717 780.31253
5530.0000 -171.39479 -163.66323 7.73156 2.49420 -164.13603 780.16574
5535.0000 -171.09617 -163.73666 7.35951 2.54511 -163.27130 818.13879
5540.0000 -170.53980 -162.82014 7.71966 2.56716 -162.89677 841.73247
5545.0000 -168.98317 -161.39724 7.58594 2.61137 -162.14598 866.67142
5550.0000 -170.12165 -162.71684 7.40481 2.60936 -162.18006 863.75410
5555.0000 -169.12938 -161.02513 8.10425 2.63190 -161.79724 879.26190
5560.0000 -168.82802 -160.56091 8.26710 2.68934 -160.82152 893.26681
5565.0000 -170.03917 -162.35378 7.68539 2.65077 -161.47674 861.01654
5570.0000 -170.35135 -162.40733 7.94402 2.62656 -161.88786 854.34273
5575.0000 -169.56950 -161.85356 7.71594 2.68630 -160.87316 910.93404
5580.0000 -169.69586 -161.88017 7.81570 2.59175 -162.47907 823.10670
5585.0000 -169.84806 -160.83785 9.01022 2.68819 -160.84104 897.08585
5590.0000 -167.96309 -161.62238 6.34072 2.61599 -162.06744 846.80478
5595.0000 -169.66092 -162.07616 7.58476 2.64982 -161.49286 861.40448
5600.0000 -169.93911 -162.68114 7.25797 2.63597 -161.72815 857.43448
5605.0000 -170.13697 -162.14328 7.99369 2.64461 -161.58136 890.83896
5610.0000 -169.08228 -161.21014 7.87214 2.60653 -162.22804 846.68156
5615.0000 -169.57178 -161.19337 8.37841 2.66329 -161.26400 863.29117
5620.0000 -169.98268 -162.35927 7.62340 2.59343 -162.45063 819.45383
5625.0000 -169.67210 -160.86341 8.80869 2.63203 -161.79493 901.10104
5630.0000 -169.78547 -160.59599 9.18948 2.69312 -160.75732 921.23357
5635.0000 -169.03933 -161.55959 7.47974 2.67916 -160.99441 913.43151
5640.0000 -170.10260 -162.21738 7.88522 2.69310 -160.75776 926.57779
5645.0000 -168.11162 -160.46419 7.64743 2.66153 -161.29397 905.04813
5650.0000 -168.63125 -160.84140 7.78985 2.75137 -159.76803 926.13516
5655.0000 -169.07349 -162.65121 6.42227 2.63363 -161.76775 859.98485
5660.0000 -168.92040 -161.31283 7.60757 2.62047 -161.99126 882.21744
5665.0000 -170.15808 -163.15535 7.00273 2.61082 -162.15532 868.92513
5670.0000 -169.78085 -161.73665 8.04421 2.58619 -162.57350 828.15791
5675.0000 -169.30392 -161.44445 7.85947 2.61168 -162.14064 849.44026
5680.0000 -169.01320 -161.40777 7.60543 2.61717 -162.04747 844.30200
5685.0000 -168.51890 -160.95734 7.56156 2.63120 -161.80905 860.70145
5690.0000 -169.62072 -162.97176 6.64897 2.61849 -162.02488 879.62644
5695.0000 -170.86863 -162.55420 8.31443 2.61750 -162.04177 899.89974
5700.0000 -171.71232 -165.00350 6.70883 2.54829 -163.21739 821.56832
5705.0000 -170.65421 -164.21617 6.43803 2.52232 -163.65840 816.63763
5710.0000 -168.72351 -161.66619 7.05732 2.53241 -163.48706 827.45981
5715.0000 -170.48986 -161.32364 9.16622 2.61433 -162.09562 851.92396
5720.0000 -169.11935 -162.41588 6.70347 2.58992 -162.51023 836.13439
5725.0000 -169.25800 -162.38870 6.86930 2.61328 -162.11344 822.13445
5730.0000 -168.92825 -159.89081 9.03744 2.59690 -162.39167 831.37919
5735.0000 -168.71333 -160.37231 8.34102 2.73739 -160.00552 943.71517
5740.0000 -169.82624 -161.49080 8.33544 2.70737 -160.51533 904.81350
5745.0000 -172.07257 -164.73996 7.33261 2.54023 -163.35426 819.04703
5750.0000 -170.91963 -163.88829 7.03134 2.47707 -164.42703 757.56517
MELTING PROCESS: loop number 24 T-loop= 891.00000000000000
main_MD> interactions number 24 at Temperature= 891.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23030 -0.89523 -0.29381
force_rgl> df(natom) -3.39325 2.60786 2.19797
5755.0000 -168.56914 -160.26574 8.30340 2.63564 -161.73364 897.28682
5760.0000 -170.03311 -161.57301 8.46010 2.69561 -160.71501 934.21010
5765.0000 -170.02111 -162.08680 7.93431 2.62439 -161.92482 863.22260
5770.0000 -170.48297 -162.01728 8.46569 2.56319 -162.96421 830.27237
5775.0000 -170.52498 -162.38169 8.14330 2.61473 -162.08891 870.86397
5780.0000 -169.53579 -162.20580 7.32999 2.64995 -161.49055 891.03813
5785.0000 -169.71557 -161.34233 8.37324 2.58908 -162.52457 835.33951
5790.0000 -170.11754 -161.79526 8.32228 2.65877 -161.34088 888.19421
5795.0000 -169.20918 -161.70340 7.50577 2.58048 -162.67050 839.07830
5800.0000 -170.95684 -163.14325 7.81359 2.60336 -162.28189 860.73522
5805.0000 -167.99883 -161.46310 6.53573 2.60365 -162.27695 856.39168
5810.0000 -169.67990 -160.91241 8.76749 2.72389 -160.23472 927.25310
5815.0000 -170.15328 -161.89418 8.25909 2.64842 -161.51657 889.61133
5820.0000 -170.85170 -162.35545 8.49625 2.57847 -162.70474 847.24697
5825.0000 -170.77472 -162.98020 7.79452 2.56009 -163.01689 805.24064
5830.0000 -169.09683 -160.81363 8.28320 2.64668 -161.54611 866.42884
5835.0000 -168.64774 -160.15175 8.49599 2.69931 -160.65222 944.70874
5840.0000 -168.37612 -160.90127 7.47485 2.73578 -160.03284 951.56181
5845.0000 -170.20211 -161.82012 8.38199 2.67469 -161.07047 897.08414
5850.0000 -169.25406 -160.87570 8.37836 2.69917 -160.65468 935.00532
5855.0000 -170.59594 -161.94022 8.65573 2.69834 -160.66871 918.95800
5860.0000 -170.00622 -162.29363 7.71259 2.59343 -162.45063 860.62506
5865.0000 -170.22325 -162.30339 7.91987 2.63236 -161.78941 868.73228
5870.0000 -169.36719 -161.95366 7.41352 2.57936 -162.68953 823.58484
5875.0000 -170.50461 -161.88150 8.62311 2.66744 -161.19359 900.70184
5880.0000 -168.48678 -161.43012 7.05666 2.69358 -160.74964 926.46875
5885.0000 -168.55445 -160.54387 8.01057 2.64781 -161.52697 881.68193
5890.0000 -167.84283 -160.10965 7.73318 2.70411 -160.57077 906.54867
5895.0000 -168.68386 -160.87587 7.80799 2.67844 -161.00680 895.46084
5900.0000 -169.50445 -161.76171 7.74274 2.71554 -160.37649 925.17821
5905.0000 -169.35486 -160.86165 8.49321 2.64959 -161.49672 878.14739
5910.0000 -171.45759 -163.43718 8.02041 2.60135 -162.31603 872.86738
5915.0000 -170.49758 -162.44900 8.04857 2.53480 -163.44649 777.71353
5920.0000 -169.30606 -161.74727 7.55879 2.57953 -162.68663 810.94916
5925.0000 -169.91181 -160.34115 9.57065 2.69493 -160.72656 925.41006
5930.0000 -168.57992 -159.97110 8.60881 2.71817 -160.33196 948.66371
5935.0000 -168.04724 -160.93932 7.10792 2.67870 -161.00229 896.11848
5940.0000 -169.09527 -160.69611 8.39916 2.69805 -160.67366 918.49651
5945.0000 -170.67813 -162.56881 8.10933 2.63794 -161.69468 860.11252
5950.0000 -169.12893 -161.53996 7.58897 2.59454 -162.43184 837.51966
5955.0000 -168.90398 -161.84701 7.05697 2.62282 -161.95136 856.31519
5960.0000 -171.38244 -162.59990 8.78254 2.61800 -162.03333 868.33940
5965.0000 -170.71746 -163.14740 7.57006 2.57762 -162.71912 842.46647
5970.0000 -169.31610 -161.93976 7.37634 2.63164 -161.80159 861.33718
5975.0000 -170.93428 -162.08369 8.85059 2.63680 -161.71389 880.27720
5980.0000 -170.31964 -162.80564 7.51401 2.62237 -161.95913 886.36821
5985.0000 -170.77763 -162.01034 8.76729 2.59814 -162.37059 849.15759
5990.0000 -169.97520 -161.96415 8.01105 2.57920 -162.69222 837.52076
5995.0000 -168.80252 -161.14900 7.65352 2.60028 -162.33425 862.93958
6000.0000 -168.74132 -160.59968 8.14163 2.65790 -161.35566 852.98593
MELTING PROCESS: loop number 25 T-loop= 916.00000000000000
main_MD> interactions number 25 at Temperature= 916.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.01124 -0.15094 1.52773
force_rgl> df(natom) 1.41675 0.36376 0.29374
6005.0000 -168.21897 -158.70240 9.51658 2.75402 -159.72297 920.82507
6010.0000 -168.70683 -159.42653 9.28030 2.79560 -159.01681 975.40433
6015.0000 -169.23205 -159.91150 9.32055 2.71931 -160.31259 927.28917
6020.0000 -168.23702 -160.28258 7.95444 2.73667 -160.01768 928.66826
6025.0000 -168.90959 -159.96082 8.94877 2.74553 -159.86724 957.35327
6030.0000 -167.90842 -159.78472 8.12370 2.72656 -160.18934 917.22953
6035.0000 -169.66625 -160.76885 8.89740 2.70766 -160.51036 904.39200
6040.0000 -169.46280 -161.00865 8.45415 2.64964 -161.49585 877.99956
6045.0000 -168.25464 -159.43527 8.81936 2.75634 -159.68355 937.37968
6050.0000 -169.35838 -160.89323 8.46514 2.68625 -160.87407 894.39251
6055.0000 -168.96978 -162.20857 6.76121 2.68408 -160.91101 892.49081
6060.0000 -168.72568 -160.42420 8.30149 2.67963 -160.98650 910.57836
6065.0000 -167.18232 -160.05467 7.12765 2.71275 -160.42403 952.06716
6070.0000 -169.02794 -161.57587 7.45207 2.72430 -160.22782 908.69153
6075.0000 -167.23230 -159.12467 8.10762 2.73012 -160.12895 948.35270
6080.0000 -167.84621 -158.77793 9.06828 2.86867 -157.77572 1035.64074
6085.0000 -168.62097 -160.65347 7.96750 2.75299 -159.74056 952.27386
6090.0000 -168.97971 -162.14463 6.83508 2.68118 -160.96013 924.58663
6095.0000 -168.96579 -160.91725 8.04854 2.65675 -161.37511 902.78096
6100.0000 -168.34267 -158.21620 10.12648 2.75998 -159.62182 937.35236
6105.0000 -169.81912 -161.45132 8.36780 2.72509 -160.21435 942.72810
6110.0000 -167.44817 -158.62445 8.82372 2.74332 -159.90475 948.36291
6115.0000 -168.00082 -158.70989 9.29093 2.81757 -158.64366 988.87600
6120.0000 -167.87900 -159.65029 8.22871 2.76768 -159.49091 984.08754
6125.0000 -168.79840 -159.58944 9.20896 2.72477 -160.21981 943.80284
6130.0000 -168.01794 -159.10933 8.90861 2.79630 -159.00490 988.80462
6135.0000 -167.75539 -159.02244 8.73295 2.80284 -158.89376 978.57751
6140.0000 -169.80310 -161.79766 8.00544 2.68780 -160.84772 908.09095
6145.0000 -168.92756 -161.03270 7.89486 2.70916 -160.48488 918.56226
6150.0000 -166.67364 -158.86687 7.80678 2.74675 -159.84644 939.69356
6155.0000 -168.25580 -159.91909 8.33671 2.78921 -159.12535 960.65808
6160.0000 -170.95745 -162.88680 8.07065 2.61750 -162.04170 857.35094
6165.0000 -167.79911 -160.54873 7.25038 2.64916 -161.50410 907.79108
6170.0000 -169.08812 -160.62357 8.46456 2.71268 -160.42516 927.01294
6175.0000 -169.96758 -160.94868 9.01891 2.70658 -160.52882 950.83086
6180.0000 -171.37906 -161.31549 10.06357 2.63242 -161.78843 870.72248
6185.0000 -170.27467 -160.48307 9.79161 2.69384 -160.74511 924.08399
6190.0000 -167.36664 -159.13340 8.23324 2.76251 -159.57880 937.50095
6195.0000 -167.12056 -159.00236 8.11820 2.82178 -158.57212 1006.61519
6200.0000 -168.03352 -160.47393 7.55959 2.71090 -160.45544 931.35657
6205.0000 -167.47032 -159.73326 7.73706 2.74050 -159.95265 915.79608
6210.0000 -167.31040 -157.77427 9.53613 2.80823 -158.80222 980.79267
6215.0000 -169.83439 -162.12167 7.71272 2.73091 -160.11551 977.11984
6220.0000 -168.90950 -161.21672 7.69278 2.63909 -161.67515 893.77405
6225.0000 -169.29797 -162.98270 6.31527 2.58694 -162.56082 845.86408
6230.0000 -169.58971 -163.09022 6.49949 2.57320 -162.79422 831.69112
6235.0000 -169.93264 -161.40577 8.52687 2.59781 -162.37625 838.03641
6240.0000 -170.18786 -160.92883 9.25903 2.68003 -160.97966 896.72893
6245.0000 -168.92710 -159.77237 9.15473 2.69285 -160.76200 901.91875
6250.0000 -169.47399 -161.45509 8.01890 2.70859 -160.49465 938.08469
MELTING PROCESS: loop number 26 T-loop= 941.00000000000000
main_MD> interactions number 26 at Temperature= 941.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.23065 -0.28771 -1.64421
force_rgl> df(natom) 0.57983 -0.29837 -1.10855
6255.0000 -168.81786 -160.57335 8.24452 2.65628 -161.38302 910.23794
6260.0000 -167.71881 -160.06103 7.65777 2.71707 -160.35067 916.62330
6265.0000 -169.74665 -159.55250 10.19416 2.72714 -160.17956 933.56967
6270.0000 -169.32790 -161.33604 7.99186 2.72134 -160.27798 960.02577
6275.0000 -169.72442 -161.68188 8.04254 2.60708 -162.21883 845.65620
6280.0000 -169.59172 -161.59661 7.99511 2.66326 -161.26460 891.26060
6285.0000 -168.08737 -159.93553 8.15183 2.74725 -159.83793 956.02842
6290.0000 -168.00977 -159.36094 8.64882 2.74224 -159.92309 956.95366
6295.0000 -167.50936 -158.62260 8.88675 2.80246 -158.90025 969.68996
6300.0000 -169.63325 -161.13594 8.49730 2.75234 -159.75148 933.38876
6305.0000 -167.92279 -160.15691 7.76587 2.66107 -161.30171 897.14577
6310.0000 -169.49599 -160.35606 9.13992 2.69656 -160.69902 888.68185
6315.0000 -166.89078 -159.29780 7.59298 2.76326 -159.56612 942.90258
6320.0000 -167.79444 -158.59402 9.20042 2.81812 -158.63432 971.26103
6325.0000 -169.72178 -161.32853 8.39325 2.75703 -159.67180 970.11868
6330.0000 -166.91903 -159.03562 7.88340 2.78240 -159.24094 984.21404
6335.0000 -168.90061 -160.52958 8.37103 2.75384 -159.72612 959.62323
6340.0000 -168.20731 -160.07318 8.13413 2.75093 -159.77554 930.18869
6345.0000 -168.57323 -160.21132 8.36191 2.76122 -159.60070 931.16845
6350.0000 -169.97639 -162.12489 7.85151 2.64069 -161.64785 878.70820
6355.0000 -169.23797 -160.01729 9.22067 2.67621 -161.04468 945.30209
6360.0000 -168.06986 -158.90332 9.16654 2.82187 -158.57056 994.22083
6365.0000 -168.48826 -159.92952 8.55874 2.79029 -159.10694 980.13859
6370.0000 -168.60276 -161.17806 7.42470 2.70644 -160.53115 904.76174
6375.0000 -171.40257 -164.00353 7.39904 2.57410 -162.77888 814.65542
6380.0000 -170.42486 -162.20621 8.21866 2.56331 -162.96225 833.50256
6385.0000 -168.47833 -159.75320 8.72513 2.71855 -160.32553 937.43291
6390.0000 -167.89806 -159.95719 7.94087 2.76249 -159.57912 971.19986
6395.0000 -167.99875 -158.39208 9.60667 2.78912 -159.12676 971.20322
6400.0000 -167.83523 -159.33922 8.49601 2.78627 -159.17525 988.14936
6405.0000 -166.88127 -159.40611 7.47517 2.71541 -160.37880 933.19560
6410.0000 -166.34314 -155.95026 10.39288 2.87424 -157.68108 1016.06929
6415.0000 -167.78545 -158.95357 8.83188 2.91834 -156.93204 1064.11053
6420.0000 -166.32435 -158.63368 7.69066 2.84362 -158.20118 1002.91715
6425.0000 -168.92016 -159.55906 9.36110 2.82842 -158.45936 984.12045
6430.0000 -168.30540 -158.24763 10.05777 2.84913 -158.10750 1022.17428
6435.0000 -167.69669 -160.74121 6.95548 2.74928 -159.80356 934.03949
6440.0000 -168.91048 -159.45166 9.45882 2.76202 -159.58717 962.95988
6445.0000 -166.71959 -157.62746 9.09213 2.84747 -158.13576 1002.94382
6450.0000 -170.16815 -160.99196 9.17620 2.75978 -159.62511 952.06288
6455.0000 -167.01776 -159.82997 7.18780 2.68813 -160.84216 894.14275
6460.0000 -167.98288 -159.28870 8.69418 2.75113 -159.77209 956.95432
6465.0000 -169.04174 -160.32232 8.71942 2.74987 -159.79346 950.67942
6470.0000 -168.81096 -160.27444 8.53653 2.70306 -160.58849 908.72307
6475.0000 -167.88064 -159.82344 8.05720 2.73500 -160.04610 947.98717
6480.0000 -168.61597 -161.07930 7.53667 2.66641 -161.21097 913.18713
6485.0000 -167.62925 -158.79874 8.83051 2.78705 -159.16194 962.31843
6490.0000 -168.55431 -159.87347 8.68083 2.74601 -159.85902 944.56314
6495.0000 -168.72783 -161.70893 7.01891 2.72646 -160.19110 928.15844
6500.0000 -167.81983 -158.41889 9.40093 2.71168 -160.44207 914.79434
MELTING PROCESS: loop number 27 T-loop= 966.00000000000000
main_MD> interactions number 27 at Temperature= 966.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.85969 -1.59496 0.93077
force_rgl> df(natom) 6.46084 -2.71292 -0.76336
6505.0000 -166.44276 -157.85703 8.58573 2.86264 -157.87804 1027.27194
6510.0000 -167.68264 -159.61371 8.06893 2.81909 -158.61778 972.80491
6515.0000 -168.96438 -160.88143 8.08295 2.72288 -160.25183 909.62925
6520.0000 -169.63963 -161.65831 7.98132 2.63208 -161.79411 885.47800
6525.0000 -169.22477 -160.93149 8.29328 2.66502 -161.23467 898.28622
6530.0000 -167.57189 -158.50487 9.06702 2.75288 -159.74242 950.57378
6535.0000 -169.18095 -159.68592 9.49503 2.81535 -158.68137 1007.66231
6540.0000 -168.66719 -159.17651 9.49068 2.75348 -159.73219 953.96549
6545.0000 -166.70323 -158.73855 7.96468 2.83975 -158.26681 989.73813
6550.0000 -168.46608 -161.10752 7.35856 2.72400 -160.23283 930.25064
6555.0000 -168.58622 -161.12152 7.46471 2.68192 -160.94762 895.28910
6560.0000 -167.96554 -159.41404 8.55149 2.71133 -160.44808 929.47640
6565.0000 -166.11395 -157.27318 8.84077 2.82294 -158.55246 1011.75154
6570.0000 -166.44061 -157.54987 8.89074 2.86451 -157.84637 1032.51872
6575.0000 -166.16350 -157.82387 8.33962 2.85045 -158.08510 994.77657
6580.0000 -168.03758 -158.82356 9.21402 2.79620 -159.00663 986.10046
6585.0000 -169.52514 -160.67888 8.84626 2.79471 -159.03180 987.03767
6590.0000 -169.22381 -161.18969 8.03411 2.71514 -160.38344 939.94637
6595.0000 -168.83487 -159.92609 8.90878 2.71261 -160.42635 903.01900
6600.0000 -168.45535 -159.69826 8.75710 2.78136 -159.25855 973.76754
6605.0000 -168.41132 -159.92940 8.48192 2.74812 -159.82322 964.94079
6610.0000 -168.25999 -159.36473 8.89526 2.74159 -159.93418 944.75163
6615.0000 -167.50626 -159.46503 8.04123 2.77030 -159.44651 940.68848
6620.0000 -168.68340 -160.03986 8.64354 2.72025 -160.29663 920.40649
6625.0000 -167.44762 -160.23612 7.21150 2.71082 -160.45676 875.30831
6630.0000 -168.16104 -160.42432 7.73672 2.70912 -160.48557 931.51762
6635.0000 -169.22293 -160.82487 8.39806 2.65792 -161.35522 892.79228
6640.0000 -169.61650 -161.01223 8.60427 2.72252 -160.25801 965.30521
6645.0000 -168.72941 -159.83940 8.89002 2.67682 -161.03431 901.27939
6650.0000 -169.95521 -160.63741 9.31780 2.73798 -159.99549 943.88720
6655.0000 -170.36219 -161.73021 8.63199 2.61496 -162.08484 867.75315
6660.0000 -167.96266 -158.63054 9.33212 2.80764 -158.81224 971.44503
6665.0000 -168.23239 -159.64994 8.58246 2.76876 -159.47271 973.41254
6670.0000 -166.22921 -157.53219 8.69701 2.84921 -158.10620 1000.28552
6675.0000 -166.41267 -157.97264 8.44003 2.88861 -157.43703 1036.36948
6680.0000 -168.07570 -159.41744 8.65826 2.81150 -158.74666 958.52215
6685.0000 -166.48137 -157.70970 8.77167 2.83025 -158.42830 981.34900
6690.0000 -167.60982 -160.72672 6.88310 2.80338 -158.88465 996.42806
6695.0000 -170.33815 -160.68046 9.65769 2.68987 -160.81256 941.05122
6700.0000 -169.83057 -161.14478 8.68580 2.68102 -160.96287 911.55643
6705.0000 -166.85900 -159.50628 7.35273 2.71584 -160.37149 937.82013
6710.0000 -168.92288 -159.22819 9.69469 2.76825 -159.48122 972.21709
6715.0000 -167.26936 -158.14741 9.12195 2.80499 -158.85731 987.77920
6720.0000 -168.72220 -159.08268 9.63952 2.78336 -159.22462 959.30344
6725.0000 -166.83283 -158.91662 7.91621 2.86088 -157.90797 996.00119
6730.0000 -168.37505 -159.37902 8.99603 2.80798 -158.80646 973.28912
6735.0000 -169.12394 -160.92332 8.20061 2.68331 -160.92394 926.59709
6740.0000 -168.45047 -160.13119 8.31929 2.72552 -160.20706 927.80832
6745.0000 -168.32871 -160.95220 7.37651 2.67236 -161.10996 888.65001
6750.0000 -169.54456 -159.97158 9.57298 2.69886 -160.65981 910.95077
MELTING PROCESS: loop number 28 T-loop= 991.00000000000000
main_MD> interactions number 28 at Temperature= 991.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.64394 1.30689 -2.44314
force_rgl> df(natom) -1.33428 3.99576 2.67226
6755.0000 -167.76711 -158.53915 9.22796 2.76997 -159.45203 987.09864
6760.0000 -167.23165 -160.84289 6.38876 2.82088 -158.58733 994.03322
6765.0000 -168.48621 -159.81436 8.67185 2.67068 -161.13860 859.88461
6770.0000 -167.75147 -158.92383 8.82764 2.78010 -159.27998 963.65513
6775.0000 -168.61333 -160.51365 8.09968 2.75323 -159.73634 937.85174
6780.0000 -169.64689 -161.13074 8.51615 2.67239 -161.10946 895.66733
6785.0000 -169.00142 -161.31821 7.68322 2.66405 -161.25117 904.69890
6790.0000 -170.76877 -161.76838 9.00040 2.68503 -160.89471 907.77863
6795.0000 -169.28976 -160.54140 8.74836 2.66867 -161.17267 897.86317
6800.0000 -167.15512 -159.96814 7.18698 2.76968 -159.45697 987.86776
6805.0000 -168.57083 -160.73206 7.83878 2.64544 -161.56724 864.52579
6810.0000 -168.98819 -161.21419 7.77399 2.65117 -161.46996 877.64923
6815.0000 -169.60331 -160.45150 9.15181 2.60544 -162.24670 871.28505
6820.0000 -169.56551 -161.15620 8.40930 2.67264 -161.10529 935.26048
6825.0000 -170.25561 -162.09816 8.15745 2.70887 -160.48993 935.69935
6830.0000 -169.60958 -161.22818 8.38140 2.64994 -161.49072 881.51684
6835.0000 -168.77533 -160.37985 8.39548 2.68326 -160.92487 921.94043
6840.0000 -168.24032 -160.48731 7.75301 2.71218 -160.43365 917.88050
6845.0000 -168.35954 -159.48054 8.87900 2.72764 -160.17107 959.07692
6850.0000 -167.50599 -159.34096 8.16503 2.76411 -159.55166 985.77807
6855.0000 -169.05531 -159.31884 9.73647 2.81339 -158.71466 1008.80675
6860.0000 -169.68777 -160.99278 8.69499 2.74661 -159.84886 935.70961
6865.0000 -167.72309 -158.98080 8.74229 2.70752 -160.51276 931.39325
6870.0000 -168.80106 -160.29991 8.50115 2.77052 -159.44279 967.61625
6875.0000 -168.69481 -160.10361 8.59121 2.69116 -160.79072 910.65585
6880.0000 -168.46154 -159.11688 9.34466 2.76817 -159.48260 976.50682
6885.0000 -167.26708 -158.04188 9.22519 2.86256 -157.87937 1017.35392
6890.0000 -169.46389 -161.18248 8.28141 2.74962 -159.79781 925.17480
6895.0000 -168.47493 -159.51644 8.95849 2.74524 -159.87211 932.29311
6900.0000 -166.54584 -158.10453 8.44131 2.84017 -158.25968 1037.57018
6905.0000 -165.84775 -155.48702 10.36072 2.95159 -156.36729 1061.21235
6910.0000 -164.87669 -154.84244 10.03425 3.04788 -154.73184 1162.97107
6915.0000 -166.11140 -155.09337 11.01803 3.02734 -155.08059 1118.56708
6920.0000 -166.13072 -156.46677 9.66395 3.01217 -155.33833 1103.28964
6925.0000 -165.67846 -155.82426 9.85420 2.86190 -157.89064 1002.09650
6930.0000 -166.12513 -154.73400 11.39112 2.98022 -155.88100 1073.77058
6935.0000 -166.46471 -157.10915 9.35556 2.95123 -156.37345 1093.65539
6940.0000 -166.02568 -158.52096 7.50473 2.83445 -158.35687 987.11519
6945.0000 -168.24308 -158.90945 9.33363 2.79598 -159.01025 960.69776
6950.0000 -168.66338 -158.42717 10.23621 2.80041 -158.93502 963.95519
6955.0000 -166.90949 -157.72301 9.18648 2.86465 -157.84387 1040.36994
6960.0000 -167.67100 -158.66833 9.00266 2.83026 -158.42798 988.72983
6965.0000 -169.98666 -161.87455 8.11211 2.71631 -160.36354 923.75416
6970.0000 -168.56368 -160.02546 8.53821 2.66316 -161.26619 872.82089
6975.0000 -167.62641 -158.35403 9.27238 2.82312 -158.54939 1004.82784
6980.0000 -166.37478 -157.50872 8.86607 2.85842 -157.94971 1005.13859
6985.0000 -166.35375 -156.03999 10.31376 2.92791 -156.76953 1052.42696
6990.0000 -167.81920 -157.72533 10.09387 2.92430 -156.83072 1065.84382
6995.0000 -167.32363 -159.00150 8.32213 2.82642 -158.49333 1013.57952
7000.0000 -167.60413 -158.24953 9.35460 2.77301 -159.40038 966.06837
MELTING PROCESS: loop number 29 T-loop= 1016.0000000000000
main_MD> interactions number 29 at Temperature= 1016.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.47816 -2.13557 2.95723
force_rgl> df(natom) 2.53394 -1.68382 -1.91742
7005.0000 -168.49442 -159.53203 8.96239 2.78082 -159.26782 971.20203
7010.0000 -167.97414 -158.42980 9.54434 2.81640 -158.66340 985.64598
7015.0000 -166.73788 -158.56713 8.17075 2.84622 -158.15698 985.86136
7020.0000 -167.53659 -157.79163 9.74496 2.82706 -158.48249 997.08010
7025.0000 -166.61040 -158.08807 8.52233 2.88582 -157.48444 1020.20729
7030.0000 -165.72315 -157.56560 8.15755 2.88484 -157.50105 1062.38184
7035.0000 -166.52102 -157.90362 8.61740 2.84834 -158.12099 1021.30536
7040.0000 -166.78825 -157.98377 8.80448 2.87720 -157.63082 1023.63983
7045.0000 -166.71394 -158.26108 8.45286 2.87457 -157.67538 1013.43603
7050.0000 -167.89801 -159.32814 8.56986 2.79648 -159.00182 996.91191
7055.0000 -167.09351 -157.74821 9.34530 2.79795 -158.97682 985.90676
7060.0000 -166.63751 -157.33786 9.29965 2.90912 -157.08857 1048.60067
7065.0000 -165.69310 -156.39329 9.29980 2.90946 -157.08286 1050.23771
7070.0000 -166.55633 -156.14984 10.40648 2.98241 -155.84384 1112.19978
7075.0000 -165.33737 -156.51071 8.82666 2.90747 -157.11658 1080.28044
7080.0000 -167.09007 -157.59239 9.49769 2.87648 -157.64306 1016.71846
7085.0000 -167.43133 -157.29822 10.13311 2.87024 -157.74902 1053.04217
7090.0000 -167.98697 -158.47982 9.50715 2.88039 -157.57665 1040.25287
7095.0000 -166.02637 -158.16777 7.85860 2.91061 -157.06324 1052.92433
7100.0000 -169.09569 -159.49390 9.60179 2.81837 -158.62994 983.29387
7105.0000 -168.79701 -158.72089 10.07612 2.76843 -159.47818 950.87201
7110.0000 -167.95539 -159.07642 8.87897 2.74811 -159.82340 975.83934
7115.0000 -169.44927 -160.45680 8.99248 2.81156 -158.74560 1007.39578
7120.0000 -169.07068 -159.52245 9.54823 2.73411 -160.06120 921.79604
7125.0000 -168.45828 -160.43292 8.02536 2.73564 -160.03519 946.36844
7130.0000 -167.85918 -159.06143 8.79775 2.77535 -159.36078 972.23172
7135.0000 -167.99392 -158.45037 9.54356 2.83069 -158.42077 1000.83537
7140.0000 -167.00377 -158.66377 8.33999 2.81773 -158.64093 1000.45701
7145.0000 -167.43952 -159.38724 8.05228 2.80017 -158.93916 991.75451
7150.0000 -167.35185 -158.53310 8.81875 2.82864 -158.45560 1003.35921
7155.0000 -168.07579 -157.92308 10.15272 2.86271 -157.87686 1026.06139
7160.0000 -167.25088 -157.83194 9.41894 2.83852 -158.28770 1062.90498
7165.0000 -167.39880 -158.16672 9.23208 2.90936 -157.08450 1075.69921
7170.0000 -166.42111 -157.44590 8.97521 2.87074 -157.74053 1037.99104
7175.0000 -166.20198 -158.27224 7.92974 2.84048 -158.25453 977.32622
7180.0000 -166.59792 -157.15605 9.44187 2.89892 -157.26181 1007.41263
7185.0000 -165.72898 -158.17927 7.54972 2.86684 -157.80675 1017.37396
7190.0000 -166.18396 -156.52995 9.65401 2.87269 -157.70736 1045.17983
7195.0000 -168.68049 -158.81706 9.86342 2.90270 -157.19774 1039.73945
7200.0000 -167.67208 -159.06153 8.61055 2.78909 -159.12731 934.20144
7205.0000 -166.88175 -157.34970 9.53205 2.88884 -157.43314 1071.14007
7210.0000 -167.52376 -157.60362 9.92013 2.91975 -156.90805 1061.69890
7215.0000 -166.37723 -156.09219 10.28503 2.96036 -156.21825 1109.20437
7220.0000 -166.48192 -157.73667 8.74525 2.86674 -157.80840 975.71597
7225.0000 -164.85880 -155.92859 8.93022 2.97102 -156.03732 1105.15897
7230.0000 -167.72108 -156.80405 10.91703 2.86725 -157.79985 1010.34529
7235.0000 -165.89747 -156.16473 9.73275 2.94178 -156.53394 1102.89878
7240.0000 -165.26756 -155.89742 9.37014 2.94284 -156.51593 1087.41468
7245.0000 -169.30141 -160.28175 9.01966 2.83583 -158.33346 991.81713
7250.0000 -165.70711 -155.04116 10.66595 2.78694 -159.16389 954.07911
MELTING PROCESS: loop number 30 T-loop= 1041.0000000000000
main_MD> interactions number 30 at Temperature= 1041.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.89743 1.34526 -0.61672
force_rgl> df(natom) 1.43986 -0.21207 3.33751
7255.0000 -165.30006 -156.22119 9.07887 3.02815 -155.06697 1126.23158
7260.0000 -165.86016 -157.41413 8.44603 2.92869 -156.75619 1068.56198
7265.0000 -167.09396 -158.20440 8.88956 2.90791 -157.10918 1081.60054
7270.0000 -167.46002 -157.95326 9.50676 2.87208 -157.71766 1019.26241
7275.0000 -165.48849 -156.44371 9.04478 2.91817 -156.93493 1060.03344
7280.0000 -165.00215 -155.70103 9.30113 2.91553 -156.97971 1102.72270
7285.0000 -168.43967 -157.30741 11.13226 3.00708 -155.42481 1153.64266
7290.0000 -167.16021 -156.97029 10.18992 2.93700 -156.61507 1087.11981
7295.0000 -164.75959 -156.12249 8.63709 2.96396 -156.15716 1112.11646
7300.0000 -166.96070 -156.69005 10.27065 2.92591 -156.80349 1042.49471
7305.0000 -166.43125 -157.52884 8.90240 2.92774 -156.77231 1075.15726
7310.0000 -166.05066 -158.43462 7.61604 2.87448 -157.67691 1017.04495
7315.0000 -166.54934 -156.73356 9.81578 2.90130 -157.22136 1041.39694
7320.0000 -167.53730 -157.00602 10.53128 2.93026 -156.72948 1107.25457
7325.0000 -167.00668 -157.60203 9.40465 2.87278 -157.70591 1076.61904
7330.0000 -167.15369 -155.14918 12.00451 2.90189 -157.21148 1061.70762
7335.0000 -167.28157 -157.72241 9.55916 2.89637 -157.30515 1055.16263
7340.0000 -167.82118 -157.67902 10.14217 2.82829 -158.46151 988.77832
7345.0000 -167.35440 -157.12975 10.22465 2.88180 -157.55266 1043.80817
7350.0000 -167.54206 -157.70898 9.83308 2.89475 -157.33277 1029.19158
7355.0000 -166.86613 -157.47980 9.38632 2.82179 -158.57195 974.90388
7360.0000 -169.10457 -159.06034 10.04423 2.83346 -158.37371 1024.95651
7365.0000 -166.69941 -159.32876 7.37065 2.78443 -159.20649 976.09067
7370.0000 -167.54706 -158.64917 8.89789 2.81875 -158.62354 986.96954
7375.0000 -168.66738 -158.01171 10.65567 2.83584 -158.33325 985.07773
7380.0000 -168.84624 -160.89203 7.95421 2.84873 -158.11435 1029.54574
7385.0000 -168.84017 -160.75500 8.08517 2.69309 -160.75793 921.37235
7390.0000 -168.34478 -159.59905 8.74573 2.70731 -160.51643 902.75292
7395.0000 -167.41674 -157.29481 10.12193 2.79425 -159.03966 975.14678
7400.0000 -167.98800 -158.77270 9.21530 2.82590 -158.50212 1006.64463
7405.0000 -168.21695 -160.13051 8.08645 2.77939 -159.29203 982.20790
7410.0000 -166.18814 -159.01527 7.17287 2.77622 -159.34590 940.63803
7415.0000 -169.36194 -159.16107 10.20087 2.82400 -158.53439 1024.72502
7420.0000 -166.26159 -156.39851 9.86308 2.87513 -157.66594 1028.79538
7425.0000 -167.10671 -156.68889 10.41782 2.98296 -155.83443 1107.83140
7430.0000 -166.74383 -156.94132 9.80250 2.92184 -156.87251 1069.15324
7435.0000 -167.05520 -157.14540 9.90980 2.93839 -156.59144 1078.81633
7440.0000 -164.48821 -156.00488 8.48333 2.97754 -155.92659 1090.93373
7445.0000 -166.91834 -157.43888 9.47946 2.99295 -155.66480 1124.37394
7450.0000 -168.21093 -159.53992 8.67101 2.82472 -158.52207 1026.41230
7455.0000 -168.05356 -159.38184 8.67172 2.74798 -159.82557 953.77348
7460.0000 -167.74407 -158.49613 9.24795 2.80335 -158.88505 1001.12977
7465.0000 -169.49684 -159.14014 10.35670 2.86483 -157.84096 1029.38969
7470.0000 -166.96026 -160.21041 6.74985 2.77879 -159.30226 976.06606
7475.0000 -168.14386 -158.78904 9.35482 2.70568 -160.54407 906.68867
7480.0000 -167.09182 -156.85907 10.23275 2.90574 -157.14606 1104.59144
7485.0000 -167.27477 -157.88386 9.39091 2.89380 -157.34884 1041.40982
7490.0000 -168.90486 -159.83659 9.06827 2.80251 -158.89946 992.63848
7495.0000 -167.56302 -158.58022 8.98280 2.73278 -160.08371 958.19506
7500.0000 -166.95377 -159.43790 7.51587 2.82951 -158.44074 1026.29264
MELTING PROCESS: loop number 31 T-loop= 1066.0000000000000
main_MD> interactions number 31 at Temperature= 1066.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.60302 -4.24977 1.54691
force_rgl> df(natom) -1.22753 2.69332 2.90293
7505.0000 -166.64376 -155.82326 10.82051 2.85732 -157.96846 1061.17199
7510.0000 -166.51826 -157.09987 9.41839 2.91921 -156.91720 1039.49164
7515.0000 -166.11684 -154.58788 11.52896 2.96241 -156.18345 1092.54705
7520.0000 -165.92752 -154.74874 11.17878 2.95928 -156.23658 1110.85186
7525.0000 -164.94036 -154.50688 10.43348 3.00026 -155.54055 1092.31932
7530.0000 -165.39344 -154.79931 10.59413 3.05761 -154.56659 1148.85029
7535.0000 -165.59369 -154.41141 11.18228 3.04915 -154.71028 1148.10072
7540.0000 -166.37581 -157.06718 9.30862 2.98984 -155.71764 1107.75710
7545.0000 -165.83154 -156.90157 8.92997 2.90481 -157.16182 1050.94524
7550.0000 -164.83373 -155.23527 9.59846 3.02892 -155.05381 1131.80265
7555.0000 -166.25615 -157.34789 8.90826 2.93511 -156.64711 1074.28116
7560.0000 -167.66309 -158.15798 9.50511 2.87289 -157.70394 1013.29924
7565.0000 -163.93398 -154.78389 9.15010 3.00247 -155.50310 1145.24927
7570.0000 -166.00028 -156.60859 9.39169 2.99196 -155.68150 1111.20576
7575.0000 -168.46793 -158.29239 10.17554 2.89633 -157.30590 1048.10202
7580.0000 -166.09312 -157.08096 9.01216 2.86408 -157.85367 1027.53769
7585.0000 -167.50397 -157.73309 9.77088 2.94538 -156.47282 1098.33873
7590.0000 -167.72788 -158.80588 8.92200 2.88743 -157.45703 1046.71451
7595.0000 -168.79895 -159.03532 9.76362 2.79352 -159.05201 945.45356
7600.0000 -166.12530 -158.45755 7.66776 2.79092 -159.09627 980.33819
7605.0000 -167.11736 -157.18890 9.92846 2.81960 -158.60904 1000.53842
7610.0000 -167.22830 -157.19490 10.03340 2.97794 -155.91967 1079.49202
7615.0000 -167.50300 -159.41769 8.08531 2.88741 -157.45735 1068.93511
7620.0000 -168.36431 -159.84789 8.51642 2.86272 -157.87672 1042.66822
7625.0000 -168.87181 -160.63145 8.24036 2.72870 -160.15297 937.37865
7630.0000 -167.43510 -158.20169 9.23341 2.77011 -159.44965 956.87363
7635.0000 -167.62419 -155.82643 11.79776 2.87822 -157.61344 1081.38628
7640.0000 -167.12876 -157.26654 9.86221 2.94097 -156.54758 1068.45491
7645.0000 -167.23165 -158.77534 8.45631 2.83212 -158.39649 1011.77017
7650.0000 -165.93102 -157.79814 8.13288 2.87587 -157.65343 1034.14799
7655.0000 -167.39276 -157.35448 10.03828 2.86410 -157.85325 1046.15793
7660.0000 -168.87136 -159.88831 8.98305 2.87695 -157.63501 1032.10537
7665.0000 -166.78803 -157.24665 9.54138 2.82685 -158.48598 1025.30137
7670.0000 -166.98976 -159.30853 7.68123 2.88987 -157.41564 1069.82500
7675.0000 -168.79841 -158.36879 10.42962 2.81689 -158.65510 997.58960
7680.0000 -168.40997 -159.36465 9.04532 2.79682 -158.99600 965.40914
7685.0000 -167.35493 -154.97501 12.37992 2.96760 -156.09530 1106.84613
7690.0000 -167.25712 -157.41894 9.83818 2.92031 -156.89850 1098.75029
7695.0000 -167.93519 -160.31664 7.61855 2.77654 -159.34056 956.73138
7700.0000 -168.01109 -159.36626 8.64483 2.76499 -159.53659 972.84037
7705.0000 -168.10942 -157.98564 10.12379 2.82152 -158.57657 982.17900
7710.0000 -166.10815 -156.46648 9.64167 2.96008 -156.22301 1055.68606
7715.0000 -163.51363 -153.89254 9.62109 2.98879 -155.73544 1076.32236
7720.0000 -167.15641 -155.77504 11.38137 3.04099 -154.84885 1164.59572
7725.0000 -168.01826 -156.92215 11.09610 2.97322 -155.99988 1085.24216
7730.0000 -167.02284 -155.74707 11.27577 2.96740 -156.09874 1108.83132
7735.0000 -166.55874 -154.79402 11.76472 2.96214 -156.18802 1101.82780
7740.0000 -164.81631 -153.95122 10.86509 3.09002 -154.01598 1206.36388
7745.0000 -166.80066 -158.16624 8.63442 2.89941 -157.25359 1031.78740
7750.0000 -165.79479 -156.71388 9.08090 2.89396 -157.34616 1035.39831
MELTING PROCESS: loop number 32 T-loop= 1091.0000000000000
main_MD> interactions number 32 at Temperature= 1091.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00990 -2.78255 0.72611
force_rgl> df(natom) 2.05556 -0.39376 -0.22303
7755.0000 -165.34624 -156.63180 8.71444 2.94647 -156.45431 1089.28186
7760.0000 -167.84722 -159.03670 8.81052 2.86314 -157.86966 1033.00195
7765.0000 -167.80080 -157.24699 10.55381 2.90992 -157.07507 1053.38537
7770.0000 -165.65824 -155.51813 10.14011 2.93057 -156.72421 1094.95475
7775.0000 -166.96316 -157.90841 9.05474 2.91708 -156.95337 1048.01314
7780.0000 -166.53696 -156.32094 10.21601 2.90384 -157.17832 1056.87048
7785.0000 -164.72017 -155.65794 9.06223 2.95788 -156.26050 1142.23803
7790.0000 -164.49664 -154.91696 9.57968 3.06202 -154.49153 1122.55841
7795.0000 -165.74431 -156.42826 9.31606 2.97249 -156.01225 1083.27866
7800.0000 -166.29639 -156.35306 9.94333 2.90526 -157.15410 1057.48675
7805.0000 -167.42566 -158.20401 9.22165 2.88504 -157.49764 1033.29987
7810.0000 -168.00926 -158.37378 9.63548 2.85925 -157.93568 998.83134
7815.0000 -167.63485 -157.76053 9.87432 2.84176 -158.23272 1008.51995
7820.0000 -167.62700 -157.61477 10.01222 2.80339 -158.88437 1010.58392
7825.0000 -167.06281 -157.27317 9.78965 2.90725 -157.12043 1059.62667
7830.0000 -166.76662 -158.24040 8.52622 2.89135 -157.39043 1069.92836
7835.0000 -165.98325 -155.49376 10.48949 2.87942 -157.59313 1039.62753
7840.0000 -166.90665 -157.38888 9.51778 2.95759 -156.26529 1098.82912
7845.0000 -165.28212 -155.22323 10.05888 2.96828 -156.08387 1132.21992
7850.0000 -167.53425 -157.40863 10.12562 2.92787 -156.77010 1060.91113
7855.0000 -163.85420 -154.83951 9.01469 3.02033 -155.19964 1102.29449
7860.0000 -165.64852 -156.05682 9.59170 3.00890 -155.39379 1101.91350
7865.0000 -167.15735 -157.21791 9.93944 2.89933 -157.25485 1052.32434
7870.0000 -167.83265 -157.20598 10.62666 2.92358 -156.84309 1078.32625
7875.0000 -167.78326 -157.98001 9.80325 2.89951 -157.25177 1060.23000
7880.0000 -164.47117 -154.70034 9.77084 2.93719 -156.61186 1066.31410
7885.0000 -166.44508 -156.97924 9.46584 2.99633 -155.60729 1112.27930
7890.0000 -166.25304 -157.59872 8.65432 2.92325 -156.84868 1052.84588
7895.0000 -163.42677 -153.25673 10.17003 3.02753 -155.07749 1141.40994
7900.0000 -165.14152 -153.11309 12.02843 3.19023 -152.31393 1235.08910
7905.0000 -164.78034 -155.15172 9.62862 3.09826 -153.87611 1196.43181
7910.0000 -165.13253 -155.45331 9.67922 3.03502 -154.95027 1137.86527
7915.0000 -167.31405 -157.89705 9.41700 2.96013 -156.22215 1065.68034
7920.0000 -167.09588 -158.60305 8.49283 2.83727 -158.30901 1002.64151
7925.0000 -169.13243 -160.49247 8.63996 2.86084 -157.90872 1008.94637
7930.0000 -166.55986 -157.90779 8.65208 2.78008 -159.28035 994.74244
7935.0000 -166.17631 -157.01590 9.16042 2.83724 -158.30956 1001.93677
7940.0000 -168.56023 -160.06766 8.49257 2.83861 -158.28623 997.34793
7945.0000 -167.59424 -157.09810 10.49614 2.85769 -157.96218 1032.76259
7950.0000 -165.97834 -155.58609 10.39225 2.93217 -156.69709 1046.98833
7955.0000 -164.99237 -153.00903 11.98334 3.09320 -153.96198 1228.93254
7960.0000 -164.89250 -154.20062 10.69188 3.07528 -154.26635 1120.43133
7965.0000 -164.08093 -154.88555 9.19538 3.07015 -154.35347 1139.33626
7970.0000 -166.24962 -156.67439 9.57522 3.00192 -155.51240 1111.68012
7975.0000 -166.57996 -157.58994 8.99002 2.92368 -156.84126 1031.10972
7980.0000 -166.79386 -158.27955 8.51431 2.87439 -157.67848 1018.24134
7985.0000 -165.93114 -156.48918 9.44196 2.94448 -156.48806 1068.44797
7990.0000 -167.05663 -157.53445 9.52218 2.87006 -157.75209 1021.60437
7995.0000 -165.91251 -156.57807 9.33444 2.89659 -157.30143 1053.55781
8000.0000 -165.97656 -157.21950 8.75706 2.92477 -156.82276 1049.28600
MELTING PROCESS: loop number 33 T-loop= 1116.0000000000000
main_MD> interactions number 33 at Temperature= 1116.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.43691 -4.43401 3.38418
force_rgl> df(natom) -2.23684 -0.35652 -1.90834
8005.0000 -164.17369 -155.52653 8.64716 2.96178 -156.19411 1105.43124
8010.0000 -165.18322 -155.28900 9.89422 2.97506 -155.96868 1080.10748
8015.0000 -164.44932 -154.80618 9.64314 3.06281 -154.47824 1150.79369
8020.0000 -166.38457 -157.53942 8.84516 2.94043 -156.55678 1104.54656
8025.0000 -166.26291 -156.14455 10.11836 2.91760 -156.94460 1052.16234
8030.0000 -166.07993 -156.61545 9.46448 3.02064 -155.19448 1124.23123
8035.0000 -164.93309 -155.75041 9.18268 2.95974 -156.22891 1109.58805
8040.0000 -165.98505 -156.80583 9.17922 2.94327 -156.50858 1065.71025
8045.0000 -165.39532 -154.71241 10.68292 2.96855 -156.07926 1104.58801
8050.0000 -166.65121 -157.12518 9.52602 2.99429 -155.64196 1127.33091
8055.0000 -167.69449 -158.60404 9.09046 2.88988 -157.41537 1052.59960
8060.0000 -167.44882 -158.62286 8.82596 2.80975 -158.77649 1003.40877
8065.0000 -165.96490 -155.96299 10.00191 2.91135 -157.05077 1103.05720
8070.0000 -165.48914 -154.16957 11.31957 3.05034 -154.68993 1153.51801
8075.0000 -164.07570 -153.33271 10.74299 3.16320 -152.77304 1233.54936
8080.0000 -166.63534 -155.24072 11.39461 2.98135 -155.86177 1098.37757
8085.0000 -167.74241 -157.01135 10.73106 2.89930 -157.25543 1049.62388
8090.0000 -165.66166 -156.21008 9.45158 2.90621 -157.13813 1028.98302
8095.0000 -166.74660 -156.08858 10.65802 2.95210 -156.35857 1103.80042
8100.0000 -163.48292 -153.39251 10.09041 3.06602 -154.42364 1194.20053
8105.0000 -163.39076 -152.05592 11.33484 3.15469 -152.91762 1206.58675
8110.0000 -163.64013 -152.30109 11.33904 3.20222 -152.11026 1216.59382
8115.0000 -167.12126 -154.16711 12.95415 3.16013 -152.82524 1235.94596
8120.0000 -166.57147 -156.46099 10.11048 3.01247 -155.33325 1117.82219
8125.0000 -163.48345 -154.72264 8.76081 3.05883 -154.54587 1146.42565
8130.0000 -165.68565 -155.53461 10.15104 3.03094 -155.01958 1125.32738
8135.0000 -166.94043 -156.45462 10.48581 2.97961 -155.89136 1063.85400
8140.0000 -165.96131 -154.14743 11.81388 3.00976 -155.37919 1140.55746
8145.0000 -165.45941 -154.64123 10.81819 3.05171 -154.66669 1150.43761
8150.0000 -163.16089 -153.62380 9.53709 3.11790 -153.54258 1161.65804
8155.0000 -165.07346 -153.72232 11.35114 3.16974 -152.66192 1223.78946
8160.0000 -166.46668 -155.39804 11.06864 3.08637 -154.07796 1135.68018
8165.0000 -164.03924 -154.21302 9.82622 3.06345 -154.46738 1163.18358
8170.0000 -166.29091 -155.26672 11.02418 3.06424 -154.45396 1148.39320
8175.0000 -165.22567 -154.01458 11.21109 3.09561 -153.92108 1209.73119
8180.0000 -164.57590 -154.39028 10.18562 2.99145 -155.69017 1085.20693
8185.0000 -164.53845 -154.42354 10.11492 3.03420 -154.96408 1123.24227
8190.0000 -164.31209 -153.70257 10.60952 3.05830 -154.55476 1171.14940
8195.0000 -164.43333 -155.84591 8.58742 3.06749 -154.39875 1127.51075
8200.0000 -166.94322 -155.24153 11.70170 3.01079 -155.36169 1126.67795
8205.0000 -164.78909 -155.22898 9.56011 2.98241 -155.84374 1094.04157
8210.0000 -165.35718 -154.65270 10.70448 2.96240 -156.18365 1102.13323
8215.0000 -164.35086 -154.14438 10.20648 3.07299 -154.30521 1124.02558
8220.0000 -165.96037 -155.95230 10.00807 3.03917 -154.87980 1122.43497
8225.0000 -166.26139 -155.54195 10.71944 2.96220 -156.18700 1093.85290
8230.0000 -166.00012 -155.18586 10.81426 3.07590 -154.25591 1167.05731
8235.0000 -164.19251 -154.63054 9.56197 3.08798 -154.05074 1160.80973
8240.0000 -165.78805 -154.98889 10.79916 3.04910 -154.71105 1138.70979
8245.0000 -165.73277 -154.69595 11.03682 2.99495 -155.63075 1123.78207
8250.0000 -163.94363 -154.82874 9.11489 3.06545 -154.43339 1178.74474
MELTING PROCESS: loop number 34 T-loop= 1141.0000000000000
main_MD> interactions number 34 at Temperature= 1141.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.35436 0.75846 0.22900
force_rgl> df(natom) -2.74275 0.15061 -0.93602
8255.0000 -166.18529 -156.02913 10.15616 2.99278 -155.66769 1108.94199
8260.0000 -164.04576 -154.74602 9.29974 3.02543 -155.11304 1135.40721
8265.0000 -164.77829 -154.37441 10.40388 3.07058 -154.34628 1177.01837
8270.0000 -168.90616 -159.15888 9.74728 2.85342 -158.03473 1025.81623
8275.0000 -166.93016 -156.01245 10.91771 2.94683 -156.44816 1097.74817
8280.0000 -167.49126 -156.45045 11.04081 2.97076 -156.04165 1117.95323
8285.0000 -163.14675 -153.92697 9.21978 2.98325 -155.82953 1101.98965
8290.0000 -162.50031 -153.59676 8.90354 3.14323 -153.11234 1214.83935
8295.0000 -165.34843 -156.80647 8.54196 3.02893 -155.05366 1140.71185
8300.0000 -165.90797 -157.07772 8.83025 2.94256 -156.52063 1078.54776
8305.0000 -165.87282 -156.11718 9.75564 2.95283 -156.34624 1080.60223
8310.0000 -165.11614 -156.19193 8.92421 3.04327 -154.81002 1146.76714
8315.0000 -167.02276 -155.73300 11.28976 3.06271 -154.47994 1176.46222
8320.0000 -166.23048 -157.01735 9.21313 3.00141 -155.52099 1116.16745
8325.0000 -163.92856 -153.67236 10.25621 2.98237 -155.84444 1102.15983
8330.0000 -165.00510 -155.84666 9.15844 3.03141 -155.01160 1130.22676
8335.0000 -165.95090 -156.03559 9.91531 3.00964 -155.38127 1100.24499
8340.0000 -166.76680 -155.31163 11.45517 2.99383 -155.64975 1120.98580
8345.0000 -167.06980 -155.98970 11.08010 2.94504 -156.47856 1108.00523
8350.0000 -165.83233 -155.21931 10.61302 3.00491 -155.46158 1148.81535
8355.0000 -163.40215 -153.92361 9.47854 3.05530 -154.60583 1183.96170
8360.0000 -162.83148 -152.67271 10.15877 3.09453 -153.93944 1173.67620
8365.0000 -164.02372 -153.18146 10.84226 3.19313 -152.26469 1241.56705
8370.0000 -167.61124 -156.12704 11.48420 3.00281 -155.49727 1125.26414
8375.0000 -166.90528 -156.53395 10.37133 2.95826 -156.25395 1095.08972
8380.0000 -168.31476 -156.83786 11.47690 2.98017 -155.88183 1119.02737
8385.0000 -164.76590 -155.01859 9.74732 2.96296 -156.17406 1127.23707
8390.0000 -166.28012 -156.77317 9.50695 2.98944 -155.72442 1151.36724
8395.0000 -164.81519 -155.33953 9.47566 3.00247 -155.50315 1095.77641
8400.0000 -164.93786 -154.81466 10.12320 3.05628 -154.58918 1172.91088
8405.0000 -167.44630 -156.64364 10.80266 2.97943 -155.89440 1113.07446
8410.0000 -166.58600 -155.93682 10.64918 2.90150 -157.21798 1061.29822
8415.0000 -164.35069 -154.19548 10.15521 3.08971 -154.02124 1189.87969
8420.0000 -166.90188 -157.16027 9.74161 3.05045 -154.68813 1099.63794
8425.0000 -167.39912 -157.39365 10.00547 2.93298 -156.68332 1083.66383
8430.0000 -167.62791 -157.13721 10.49070 2.90426 -157.17118 1057.49627
8435.0000 -165.61202 -156.48576 9.12626 2.96247 -156.18241 1108.27764
8440.0000 -166.51391 -156.57720 9.93671 2.95485 -156.31189 1076.69031
8445.0000 -166.19302 -155.60525 10.58777 2.94686 -156.44755 1093.93316
8450.0000 -165.34760 -153.94504 11.40257 3.06368 -154.46335 1171.47984
8455.0000 -161.27830 -152.17793 9.10037 3.11070 -153.66476 1187.27605
8460.0000 -164.80062 -155.18807 9.61255 3.15987 -152.82956 1247.90735
8465.0000 -166.13716 -156.32827 9.80890 2.94483 -156.48201 1089.89630
8470.0000 -167.27516 -155.45635 11.81881 3.00662 -155.43266 1125.51713
8475.0000 -166.96276 -157.08277 9.87999 2.97088 -156.03967 1098.98517
8480.0000 -164.18789 -154.83688 9.35102 2.95953 -156.23249 1099.87019
8485.0000 -164.96690 -154.76636 10.20054 2.99356 -155.65448 1098.08967
8490.0000 -165.73703 -155.18162 10.55541 3.10437 -153.77230 1192.40820
8495.0000 -163.76745 -154.33876 9.42869 3.09018 -154.01326 1150.11341
8500.0000 -165.71949 -155.60777 10.11172 3.05370 -154.63289 1123.53433
MELTING PROCESS: loop number 35 T-loop= 1166.0000000000000
main_MD> interactions number 35 at Temperature= 1166.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.41711 -2.05925 -1.73348
force_rgl> df(natom) -0.04486 -1.72698 -0.62769
8505.0000 -164.74705 -153.38429 11.36276 3.07889 -154.20515 1177.22883
8510.0000 -163.91423 -153.72288 10.19136 3.11740 -153.55090 1201.43317
8515.0000 -166.05826 -154.74182 11.31644 3.10824 -153.70659 1209.23978
8520.0000 -164.00601 -151.86544 12.14057 3.18411 -152.41795 1235.08657
8525.0000 -163.96254 -153.51857 10.44397 3.20908 -151.99374 1248.20315
8530.0000 -162.53139 -150.23303 12.29836 3.24993 -151.29991 1272.59017
8535.0000 -165.21140 -152.05323 13.15817 3.24176 -151.43876 1305.61663
8540.0000 -165.34109 -156.02760 9.31349 3.11657 -153.56501 1181.00246
8545.0000 -164.52940 -153.16590 11.36350 3.01137 -155.35192 1149.69225
8550.0000 -163.39079 -152.40702 10.98378 3.22018 -151.80525 1248.78934
8555.0000 -166.94988 -157.79355 9.15633 3.05877 -154.54676 1193.90204
8560.0000 -165.50065 -155.24734 10.25331 2.97136 -156.03142 1093.99597
8565.0000 -167.18394 -158.61439 8.56955 2.94657 -156.45257 1069.81206
8570.0000 -168.13360 -157.09177 11.04183 2.86424 -157.85091 1017.82535
8575.0000 -166.65041 -156.14804 10.50237 2.90629 -157.13662 1056.39755
8580.0000 -165.58944 -155.32819 10.26125 3.01070 -155.36334 1108.66753
8585.0000 -164.72683 -155.00329 9.72354 3.01096 -155.35889 1133.31416
8590.0000 -164.80149 -153.51088 11.29061 3.09139 -153.99283 1171.27231
8595.0000 -165.87474 -155.32718 10.54756 3.10522 -153.75787 1186.87332
8600.0000 -165.76886 -155.54984 10.21903 2.97859 -155.90861 1117.70658
8605.0000 -164.66099 -155.92675 8.73424 3.00803 -155.40856 1138.67751
8610.0000 -165.64925 -154.92166 10.72759 2.98003 -155.88426 1089.98592
8615.0000 -164.03487 -152.79226 11.24261 3.06393 -154.45920 1154.59675
8620.0000 -165.41457 -155.06150 10.35306 3.11058 -153.66690 1212.01090
8625.0000 -165.46949 -154.32139 11.14810 3.04395 -154.79861 1148.63811
8630.0000 -164.35923 -153.85315 10.50608 3.05023 -154.69184 1165.71543
8635.0000 -166.05709 -155.92534 10.13175 3.05637 -154.58751 1146.89861
8640.0000 -164.11658 -154.70743 9.40915 3.07295 -154.30596 1172.97353
8645.0000 -162.78502 -152.98307 9.80195 3.07538 -154.26464 1129.54585
8650.0000 -162.28982 -152.61223 9.67760 3.18789 -152.35363 1207.47229
8655.0000 -165.19759 -153.20118 11.99641 3.15308 -152.94489 1241.08376
8660.0000 -163.56418 -153.24658 10.31760 3.11563 -153.58107 1185.52055
8665.0000 -165.45765 -153.02333 12.43432 3.17688 -152.54073 1248.14353
8670.0000 -165.95040 -156.32868 9.62171 3.01738 -155.24977 1099.59831
8675.0000 -164.25379 -152.58626 11.66753 3.02282 -155.15748 1133.93828
8680.0000 -163.69694 -152.11841 11.57853 3.16691 -152.71002 1244.33697
8685.0000 -164.24191 -154.64671 9.59520 3.19458 -152.24010 1248.91741
8690.0000 -163.42960 -151.95296 11.47664 3.08719 -154.06415 1194.62496
8695.0000 -164.21961 -153.25776 10.96186 3.15681 -152.88168 1231.36460
8700.0000 -166.08428 -157.02673 9.05755 3.05081 -154.68209 1143.64384
8705.0000 -164.77433 -155.43212 9.34221 2.97816 -155.91594 1103.70215
8710.0000 -163.98525 -153.58571 10.39954 3.10593 -153.74582 1170.80160
8715.0000 -164.54924 -152.79696 11.75227 3.17355 -152.59731 1231.43877
8720.0000 -163.40871 -153.53860 9.87012 3.07143 -154.33181 1172.33935
8725.0000 -166.07194 -155.25632 10.81562 3.11183 -153.64552 1196.04501
8730.0000 -166.13113 -155.03532 11.09581 2.99231 -155.67572 1134.97224
8735.0000 -164.52644 -152.17831 12.34813 3.11360 -153.61546 1221.90652
8740.0000 -163.99218 -153.14265 10.84953 3.16526 -152.73808 1246.23468
8745.0000 -160.71500 -151.14324 9.57177 3.11378 -153.61242 1203.33882
8750.0000 -163.21835 -153.78427 9.43409 3.19743 -152.19166 1223.79456
MELTING PROCESS: loop number 36 T-loop= 1191.0000000000000
main_MD> interactions number 36 at Temperature= 1191.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.48400 8.13769 -5.03986
force_rgl> df(natom) 2.92392 0.79377 0.56770
8755.0000 -163.66070 -154.40615 9.25455 3.03773 -154.90410 1105.76844
8760.0000 -163.48997 -151.82528 11.66469 3.15196 -152.96400 1195.64428
8765.0000 -164.94301 -155.19567 9.74734 3.13000 -153.33694 1225.28325
8770.0000 -166.80648 -156.42743 10.37904 2.99589 -155.61479 1137.00164
8775.0000 -165.56709 -152.78384 12.78326 3.10355 -153.78621 1176.65870
8780.0000 -164.79152 -153.80751 10.98401 3.12471 -153.42689 1209.40376
8785.0000 -165.18961 -154.76565 10.42396 3.04553 -154.77170 1136.94945
8790.0000 -164.58734 -154.20053 10.38681 3.08895 -154.03413 1182.27976
8795.0000 -164.81955 -154.29129 10.52826 3.05056 -154.68622 1158.26813
8800.0000 -164.81576 -154.57685 10.23891 3.00959 -155.38215 1125.24240
8805.0000 -164.74321 -153.39781 11.34539 3.08385 -154.12092 1152.92307
8810.0000 -164.92002 -153.03675 11.88327 3.20009 -152.14649 1245.37451
8815.0000 -164.10476 -150.73622 13.36855 3.15379 -152.93297 1196.44313
8820.0000 -164.69063 -152.32173 12.36890 3.23649 -151.52820 1271.25526
8825.0000 -164.36405 -153.00552 11.35853 3.17032 -152.65211 1252.47835
8830.0000 -165.45843 -155.84663 9.61181 3.02646 -155.09563 1130.08587
8835.0000 -164.83293 -154.73378 10.09915 3.04328 -154.80996 1181.40327
8840.0000 -164.78303 -154.43460 10.34844 2.99544 -155.62245 1103.94238
8845.0000 -164.45838 -153.13387 11.32451 3.10019 -153.84338 1177.02816
8850.0000 -163.95531 -153.44017 10.51514 3.17104 -152.63994 1240.04964
8855.0000 -164.20093 -154.29328 9.90764 3.12459 -153.42879 1197.20941
8860.0000 -165.17980 -154.09999 11.07982 3.09172 -153.98721 1180.04208
8865.0000 -163.86513 -153.35017 10.51495 3.10518 -153.75846 1189.77944
8870.0000 -164.33461 -154.81571 9.51890 3.04513 -154.77841 1141.60905
8875.0000 -164.92813 -154.60346 10.32467 3.10750 -153.71918 1227.02189
8880.0000 -164.09915 -155.24043 8.85871 3.08847 -154.04240 1169.44902
8885.0000 -164.98685 -153.73715 11.24971 3.11003 -153.67609 1211.06224
8890.0000 -164.18708 -152.55859 11.62849 3.11800 -153.54075 1201.19889
8895.0000 -164.42637 -154.51245 9.91392 3.17287 -152.60888 1270.08585
8900.0000 -164.16205 -152.55634 11.60570 3.15344 -152.93893 1262.38967
8905.0000 -163.50010 -153.89286 9.60725 3.08607 -154.08305 1133.62205
8910.0000 -163.54179 -152.86399 10.67780 3.11000 -153.67666 1187.95265
8915.0000 -162.86118 -152.31901 10.54218 3.20579 -152.04966 1261.47334
8920.0000 -163.72496 -151.61426 12.11070 3.25686 -151.18226 1316.49917
8925.0000 -166.17959 -156.10619 10.07340 3.11854 -153.53164 1188.40916
8930.0000 -166.22661 -156.89230 9.33431 2.96370 -156.16162 1072.07591
8935.0000 -165.17557 -154.86365 10.31192 2.97492 -155.97100 1086.87013
8940.0000 -163.60534 -153.44383 10.16151 3.10327 -153.79099 1213.40918
8945.0000 -163.21898 -151.13716 12.08182 3.13181 -153.30617 1183.41090
8950.0000 -166.02945 -155.03663 10.99282 3.11317 -153.62287 1200.57675
8955.0000 -164.53602 -153.41303 11.12299 3.04463 -154.78701 1147.37147
8960.0000 -165.08201 -153.17810 11.90391 3.11984 -153.50951 1204.31932
8965.0000 -166.99665 -157.54771 9.44894 3.06787 -154.39234 1151.74427
8970.0000 -165.24059 -154.49042 10.75017 2.94125 -156.54289 1066.54616
8975.0000 -163.18631 -153.46979 9.71653 3.15020 -152.99380 1199.88630
8980.0000 -163.44360 -151.68654 11.75706 3.15331 -152.94104 1221.05844
8985.0000 -165.33043 -153.37370 11.95673 3.13954 -153.17493 1220.76862
8990.0000 -163.98492 -153.90495 10.07997 3.06882 -154.37604 1157.48982
8995.0000 -162.05675 -152.61884 9.43792 3.14952 -153.00551 1193.56409
9000.0000 -161.24213 -150.77045 10.47168 3.22734 -151.68370 1275.36858
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 12 [min], 59.7696987 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink