tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/meltingSims/run_88/melt.log

1979 lines
195 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_88.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 = 88 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 88 8800
main_MD> Size of nv and nvoiz: 88 8800
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 = 88
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> 2.6136050204701566E-002 -2.6518933448312122E-002 7.2385443682344300E-002 initial drift of cluster / NP1 for coalescence
init> 0.27947883919035421 0.31195396972852357 0.30270661282995154 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.9295848225589101E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.21842 0.12067 0.52195
force_rgl> df(natom) -0.99717 1.27437 -2.77719
preparo> THERMALIZATION PROCESS AT 321.67533261741636
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -222.58809239600933 4.5794729149373667 -227.16756531094669 3.9344914469728143E-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 35
MELTING PROCESS: loop number 1 T-loop= 348.00000000000000
main_MD> interactions number 1 at Temperature= 348.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.85692 -0.14053 -0.94215
force_rgl> df(natom) -0.45185 -0.79082 -0.77061
5.0000 -227.53877 -223.24722 4.29155 1.84711 -223.05606 350.51926
10.0000 -227.54710 -223.81279 3.73431 1.82057 -223.58129 329.68765
15.0000 -226.94501 -223.12894 3.81608 1.83054 -223.38391 339.14031
20.0000 -227.63835 -223.27434 4.36401 1.84579 -223.08218 348.57655
25.0000 -227.09342 -223.37141 3.72202 1.82941 -223.40633 338.32885
30.0000 -226.94243 -222.93982 4.00261 1.82954 -223.40374 338.72534
35.0000 -226.47585 -222.72617 3.74968 1.86612 -222.68000 366.55365
40.0000 -227.08491 -222.74627 4.33864 1.84698 -223.05872 352.53990
45.0000 -227.01036 -222.80908 4.20128 1.87852 -222.43465 370.19532
50.0000 -226.95930 -222.63723 4.32207 1.85990 -222.80313 357.83261
55.0000 -227.53087 -223.79501 3.73586 1.84952 -223.00845 355.18965
60.0000 -226.44843 -221.99100 4.45743 1.85638 -222.87274 359.40843
65.0000 -227.45781 -223.15905 4.29876 1.85804 -222.83990 361.12273
70.0000 -226.76294 -222.34599 4.41694 1.86056 -222.79003 362.57637
75.0000 -227.28309 -222.86823 4.41487 1.87759 -222.45305 375.94922
80.0000 -227.45258 -223.28051 4.17207 1.84778 -223.04287 353.86232
85.0000 -227.07846 -222.43937 4.63909 1.84953 -223.00833 355.29385
90.0000 -226.65757 -222.62842 4.02916 1.87244 -222.55508 368.50941
95.0000 -227.29706 -222.83036 4.46670 1.86757 -222.65139 365.34399
100.0000 -226.97548 -223.34406 3.63141 1.86004 -222.80028 364.50758
105.0000 -227.62285 -223.81536 3.80749 1.82448 -223.50388 329.96353
110.0000 -227.32667 -223.37133 3.95534 1.82960 -223.40248 334.64651
115.0000 -226.74500 -223.24651 3.49849 1.84102 -223.17656 346.32932
120.0000 -227.32724 -222.29636 5.03088 1.86763 -222.65012 375.37697
125.0000 -227.15914 -223.45600 3.70314 1.85855 -222.82971 357.33151
130.0000 -227.40736 -223.35563 4.05173 1.83777 -223.24094 342.41619
135.0000 -227.28701 -223.50239 3.78462 1.82382 -223.51682 333.22936
140.0000 -226.27520 -222.48906 3.78614 1.84728 -223.05267 339.49245
145.0000 -227.11466 -223.05438 4.06028 1.85043 -222.99039 350.16646
150.0000 -226.99837 -222.73832 4.26005 1.85895 -222.82180 360.66559
155.0000 -227.09784 -223.28147 3.81636 1.84262 -223.14502 351.44706
160.0000 -226.95047 -222.57679 4.37368 1.85732 -222.85415 359.26670
165.0000 -227.08162 -223.13263 3.94899 1.85202 -222.95898 354.93431
170.0000 -226.32413 -222.79565 3.52848 1.84584 -223.08130 349.04839
175.0000 -227.24623 -223.45007 3.79616 1.84844 -223.02985 353.28976
180.0000 -227.61379 -223.84409 3.76970 1.81492 -223.69300 323.27613
185.0000 -226.85833 -222.39903 4.45930 1.85280 -222.94350 356.51372
190.0000 -227.28288 -223.66665 3.61623 1.84199 -223.15738 348.07574
195.0000 -227.49092 -223.58127 3.90965 1.82953 -223.40402 336.48487
200.0000 -226.68518 -222.49864 4.18654 1.86087 -222.78391 360.12025
205.0000 -227.01557 -223.22189 3.79368 1.85807 -222.83935 358.49030
210.0000 -227.93416 -223.43253 4.50164 1.85764 -222.84776 360.99765
215.0000 -227.12423 -223.19480 3.92943 1.82129 -223.56687 334.81460
220.0000 -227.90499 -224.15531 3.74968 1.80593 -223.87094 317.70677
225.0000 -227.80266 -224.23939 3.56327 1.79705 -224.04647 309.58477
230.0000 -227.57118 -224.01512 3.55606 1.79109 -224.16453 310.42448
235.0000 -226.83244 -223.22629 3.60615 1.79755 -224.03661 312.23539
240.0000 -227.19681 -223.49585 3.70096 1.83227 -223.34964 338.45749
245.0000 -226.65443 -222.99971 3.65472 1.85823 -222.83608 359.07847
250.0000 -227.43167 -223.03103 4.40064 1.85681 -222.86412 355.06381
MELTING PROCESS: loop number 2 T-loop= 373.00000000000000
main_MD> interactions number 2 at Temperature= 373.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51975 -0.72166 0.42718
force_rgl> df(natom) 1.85082 -2.79651 1.82172
255.0000 -227.50099 -223.15973 4.34126 1.85453 -222.90941 359.57085
260.0000 -226.85380 -223.03183 3.82197 1.84539 -223.09012 349.35245
265.0000 -227.17561 -223.79076 3.38485 1.84975 -223.00386 351.98686
270.0000 -227.01321 -222.93863 4.07458 1.83105 -223.37386 339.11090
275.0000 -226.23397 -222.01930 4.21467 1.87295 -222.54487 371.72488
280.0000 -226.87546 -222.94592 3.92954 1.88636 -222.27962 383.16728
285.0000 -226.62448 -222.70426 3.92021 1.86068 -222.78759 361.78853
290.0000 -226.64134 -222.33578 4.30556 1.88929 -222.22169 388.59138
295.0000 -227.30624 -222.85143 4.45481 1.85432 -222.91355 359.02858
300.0000 -226.44996 -222.05700 4.39296 1.86496 -222.70302 363.12655
305.0000 -227.21161 -222.94266 4.26895 1.88244 -222.35710 379.06821
310.0000 -226.86367 -222.28235 4.58132 1.86342 -222.73336 363.78795
315.0000 -226.77780 -222.00424 4.77355 1.88385 -222.32915 379.30440
320.0000 -226.26981 -221.88748 4.38233 1.90191 -221.97192 392.50611
325.0000 -227.04328 -222.87597 4.16731 1.85748 -222.85106 356.92242
330.0000 -227.16761 -222.61379 4.55382 1.84785 -223.04154 350.60655
335.0000 -226.23852 -221.92402 4.31449 1.87241 -222.55565 369.53018
340.0000 -226.88473 -222.97251 3.91222 1.88079 -222.38989 377.70266
345.0000 -226.78814 -222.57860 4.20955 1.86408 -222.72040 361.26415
350.0000 -226.45986 -222.17647 4.28339 1.88699 -222.26714 385.58441
355.0000 -226.41640 -222.19172 4.22468 1.88705 -222.26596 383.78644
360.0000 -226.98140 -223.33376 3.64764 1.86559 -222.69049 367.77673
365.0000 -226.65153 -222.44295 4.20858 1.85182 -222.96293 354.33351
370.0000 -226.68089 -222.19803 4.48286 1.88351 -222.33599 379.35828
375.0000 -226.34693 -222.42835 3.91859 1.88083 -222.38900 378.65996
380.0000 -226.75400 -222.07551 4.67849 1.88706 -222.26566 386.40244
385.0000 -226.27003 -222.32699 3.94304 1.88702 -222.26659 380.33326
390.0000 -226.82961 -223.01566 3.81395 1.86028 -222.79554 364.46108
395.0000 -227.64455 -224.24199 3.40256 1.82612 -223.47150 336.20517
400.0000 -226.95300 -222.71404 4.23896 1.83958 -223.20513 346.21992
405.0000 -227.07680 -223.06315 4.01365 1.84846 -223.02952 350.01547
410.0000 -227.08041 -222.98167 4.09874 1.85938 -222.81341 361.00963
415.0000 -226.78562 -222.44254 4.34308 1.84056 -223.18577 346.43148
420.0000 -226.53941 -222.62193 3.91747 1.87721 -222.46053 376.37070
425.0000 -226.71994 -222.67371 4.04623 1.86649 -222.67270 363.09276
430.0000 -227.03477 -222.42529 4.60948 1.88040 -222.39747 377.24537
435.0000 -226.41861 -222.47691 3.94170 1.88186 -222.36865 378.59609
440.0000 -226.86262 -222.27178 4.59083 1.88310 -222.34416 380.74405
445.0000 -225.99238 -221.35836 4.63403 1.91045 -221.80303 395.07550
450.0000 -226.66561 -222.49218 4.17344 1.93580 -221.30152 415.24450
455.0000 -226.91830 -222.84226 4.07604 1.87402 -222.52381 370.63223
460.0000 -227.05247 -222.77827 4.27420 1.88372 -222.33179 378.17162
465.0000 -226.56721 -222.92232 3.64489 1.85612 -222.87793 354.83880
470.0000 -226.70219 -222.67825 4.02394 1.86432 -222.71567 359.76588
475.0000 -226.56270 -222.62063 3.94207 1.88177 -222.37038 383.37473
480.0000 -226.72532 -222.34352 4.38180 1.87724 -222.46012 375.64510
485.0000 -226.28892 -221.75107 4.53786 1.90778 -221.85573 396.30224
490.0000 -226.63491 -222.69977 3.93514 1.89147 -222.17848 389.64905
495.0000 -226.60504 -222.48412 4.12092 1.86976 -222.60810 369.13899
500.0000 -226.47786 -222.55831 3.91955 1.87322 -222.53966 368.76024
MELTING PROCESS: loop number 3 T-loop= 398.00000000000000
main_MD> interactions number 3 at Temperature= 398.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.04632 0.84621 0.65534
force_rgl> df(natom) 0.09899 1.58954 -0.31905
505.0000 -226.33698 -222.54101 3.79597 1.87864 -222.43241 375.93281
510.0000 -226.21011 -221.65727 4.55283 1.89972 -222.01533 391.22920
515.0000 -226.94346 -222.31527 4.62818 1.89042 -222.19921 387.46178
520.0000 -225.96209 -221.05657 4.90552 1.91427 -221.72746 406.52678
525.0000 -226.02669 -221.33436 4.69233 1.95362 -220.94887 433.59779
530.0000 -227.00634 -222.94645 4.05988 1.88819 -222.24330 386.38425
535.0000 -226.33170 -221.69735 4.63435 1.87354 -222.53321 372.91208
540.0000 -226.65579 -222.21433 4.44146 1.89441 -222.12025 388.13907
545.0000 -225.84506 -221.17395 4.67111 1.92118 -221.59071 408.82051
550.0000 -227.07376 -222.67614 4.39761 1.90700 -221.87134 399.75408
555.0000 -226.33394 -221.84550 4.48844 1.90425 -221.92569 398.92928
560.0000 -226.27713 -221.79664 4.48049 1.90476 -221.91558 397.32802
565.0000 -227.10110 -222.53972 4.56138 1.90973 -221.81729 404.81861
570.0000 -226.06816 -222.22244 3.84572 1.88484 -222.30966 379.71965
575.0000 -227.42124 -222.11267 5.30857 1.89253 -222.15746 388.39766
580.0000 -225.99430 -221.33494 4.65935 1.90428 -221.92502 392.28994
585.0000 -226.77353 -221.82491 4.94862 1.93171 -221.38239 416.33382
590.0000 -225.90230 -222.05338 3.84892 1.91227 -221.76696 403.06755
595.0000 -226.38890 -222.00807 4.38084 1.87603 -222.48388 373.14568
600.0000 -225.51987 -221.64816 3.87171 1.93569 -221.30372 421.21767
605.0000 -226.54959 -222.02522 4.52438 1.91077 -221.79670 404.13998
610.0000 -226.51020 -221.94550 4.56470 1.91003 -221.81133 400.45166
615.0000 -226.06005 -221.22725 4.83279 1.93430 -221.33108 422.48908
620.0000 -226.09791 -221.81087 4.28704 1.93811 -221.25585 422.99961
625.0000 -226.11028 -221.63910 4.47119 1.90395 -221.93158 397.16896
630.0000 -225.74264 -222.09829 3.64435 1.91408 -221.73122 394.65710
635.0000 -226.48324 -222.08751 4.39572 1.89778 -222.05362 388.53905
640.0000 -226.89020 -223.03937 3.85083 1.87061 -222.59126 368.18979
645.0000 -226.49886 -222.23034 4.26852 1.87865 -222.43216 376.87961
650.0000 -226.35814 -222.07042 4.28772 1.89810 -222.04733 392.92830
655.0000 -226.59506 -221.69660 4.89847 1.89851 -222.03921 393.76984
660.0000 -225.99612 -221.39191 4.60421 1.91323 -221.74807 407.06515
665.0000 -226.89920 -222.82856 4.07064 1.88814 -222.24438 384.23222
670.0000 -226.78719 -221.93232 4.85487 1.86404 -222.72126 364.78624
675.0000 -225.85579 -221.05319 4.80260 1.92036 -221.60687 408.67834
680.0000 -225.59108 -220.36737 5.22371 1.94934 -221.03364 432.89284
685.0000 -226.36654 -221.38802 4.97852 1.95042 -221.01228 420.13117
690.0000 -226.10448 -221.48802 4.61646 1.93043 -221.40778 418.90859
695.0000 -226.33514 -221.42610 4.90904 1.92141 -221.58609 409.85044
700.0000 -226.91770 -222.53384 4.38386 1.90387 -221.93322 395.51343
705.0000 -226.49858 -221.79114 4.70743 1.89376 -222.13328 388.49598
710.0000 -225.43088 -219.97648 5.45440 1.94577 -221.10419 421.72136
715.0000 -225.63247 -220.60940 5.02307 1.99134 -220.20258 447.52359
720.0000 -226.30620 -221.37374 4.93247 1.93497 -221.31790 417.32298
725.0000 -226.10907 -221.51958 4.58949 1.92660 -221.48341 411.39109
730.0000 -226.89385 -221.82666 5.06720 1.92641 -221.48731 415.32830
735.0000 -225.78900 -221.51772 4.27128 1.92982 -221.41972 419.35139
740.0000 -226.28060 -221.66558 4.61502 1.91723 -221.66883 407.98796
745.0000 -225.86841 -221.70404 4.16437 1.94225 -221.17389 422.59104
750.0000 -225.98359 -220.83511 5.14848 1.94310 -221.15697 424.08939
MELTING PROCESS: loop number 4 T-loop= 423.00000000000000
main_MD> interactions number 4 at Temperature= 423.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.98430 2.26189 -2.86351
force_rgl> df(natom) 1.81800 1.03654 1.63442
755.0000 -226.23645 -220.95353 5.28291 1.94611 -221.09739 429.13814
760.0000 -224.82229 -219.93641 4.88588 1.97479 -220.53003 453.66863
765.0000 -225.35624 -220.21237 5.14386 1.98757 -220.27715 460.32931
770.0000 -225.41535 -219.78069 5.63466 2.00937 -219.84597 474.93522
775.0000 -225.71421 -220.51014 5.20407 1.99244 -220.18092 445.69575
780.0000 -225.87618 -221.37712 4.49906 1.94694 -221.08103 408.91772
785.0000 -226.91099 -222.28274 4.62824 1.93091 -221.39820 416.11028
790.0000 -225.10406 -221.08924 4.01482 1.90824 -221.84673 396.04949
795.0000 -226.59803 -221.89776 4.70027 1.92965 -221.42318 416.62946
800.0000 -226.78004 -221.41365 5.36639 1.92360 -221.54279 414.94106
805.0000 -226.60100 -222.40830 4.19270 1.92729 -221.46989 414.82335
810.0000 -226.02668 -221.13211 4.89457 1.94615 -221.09662 428.82878
815.0000 -225.77614 -221.04252 4.73361 1.95612 -220.89954 437.76713
820.0000 -226.08590 -221.27650 4.80940 1.94876 -221.04503 431.41036
825.0000 -226.12808 -222.26294 3.86514 1.93557 -221.30602 418.19386
830.0000 -225.46017 -220.67985 4.78032 1.92180 -221.57846 413.27194
835.0000 -224.95965 -219.62492 5.33472 1.98439 -220.34006 463.70790
840.0000 -226.35008 -221.18256 5.16752 1.97042 -220.61654 446.26070
845.0000 -226.10491 -221.97291 4.13200 1.90831 -221.84531 398.50752
850.0000 -225.93305 -221.56618 4.36686 1.90794 -221.85264 398.62895
855.0000 -226.69339 -221.68587 5.00752 1.91202 -221.77201 401.74225
860.0000 -226.08522 -221.14718 4.93804 1.93375 -221.34200 418.55790
865.0000 -225.97761 -220.80859 5.16902 1.94698 -221.08025 428.95369
870.0000 -226.07231 -220.80194 5.27037 1.95773 -220.86753 436.36750
875.0000 -226.58808 -221.70188 4.88620 1.94588 -221.10208 426.96472
880.0000 -226.52991 -221.62800 4.90191 1.89922 -222.02521 392.07687
885.0000 -226.50793 -222.39881 4.10912 1.89133 -222.18135 386.90098
890.0000 -226.37846 -222.56397 3.81449 1.88226 -222.36064 380.39269
895.0000 -226.09473 -222.00100 4.09373 1.89842 -222.04093 392.78054
900.0000 -226.96859 -222.39009 4.57851 1.90050 -221.99980 391.83958
905.0000 -225.53426 -220.52455 5.00971 1.92563 -221.50271 411.81311
910.0000 -225.93974 -221.53592 4.40382 1.95493 -220.92296 435.97200
915.0000 -226.26251 -221.41051 4.85199 1.92486 -221.51780 413.38998
920.0000 -226.21419 -221.57936 4.63484 1.92442 -221.52668 410.02053
925.0000 -224.95360 -219.60157 5.35203 1.96377 -220.74802 444.34001
930.0000 -225.83321 -219.91340 5.91981 1.99882 -220.05464 468.52554
935.0000 -225.65257 -220.39490 5.25767 2.01396 -219.75507 462.92531
940.0000 -225.55197 -220.53065 5.02132 1.99899 -220.05131 467.57988
945.0000 -225.85420 -220.47437 5.37983 1.96253 -220.77252 440.21566
950.0000 -226.50617 -222.30414 4.20204 1.92995 -221.41716 413.22070
955.0000 -226.26342 -221.74198 4.52144 1.91248 -221.76278 402.34507
960.0000 -226.81415 -222.14496 4.66919 1.90525 -221.90589 397.03898
965.0000 -225.57922 -220.37112 5.20810 1.94743 -221.07134 429.14398
970.0000 -225.89093 -220.45315 5.43778 1.98821 -220.26452 463.97743
975.0000 -226.12926 -221.34663 4.78263 1.94459 -221.12754 422.05957
980.0000 -225.70930 -221.10526 4.60404 1.94657 -221.08835 425.39989
985.0000 -225.94681 -220.96404 4.98277 1.95385 -220.94438 435.61166
990.0000 -226.03261 -220.87453 5.15808 1.94385 -221.14215 431.62904
995.0000 -226.54673 -221.62243 4.92430 1.91896 -221.63458 411.36424
1000.0000 -226.21899 -221.60279 4.61620 1.91306 -221.75126 406.24199
MELTING PROCESS: loop number 5 T-loop= 448.00000000000000
main_MD> interactions number 5 at Temperature= 448.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.59171 0.03176 -3.16396
force_rgl> df(natom) 1.74294 -2.40126 -4.39444
1005.0000 -225.48950 -219.72193 5.76757 1.96926 -220.63943 447.43029
1010.0000 -226.10557 -221.16526 4.94031 1.98276 -220.37237 455.50958
1015.0000 -224.91458 -220.45241 4.46218 1.97452 -220.53545 442.43356
1020.0000 -225.62023 -220.30910 5.31114 1.97798 -220.46695 451.69836
1025.0000 -225.42430 -219.91609 5.50821 1.97561 -220.51381 447.53818
1030.0000 -225.65413 -219.83208 5.82205 1.98770 -220.27474 460.75197
1035.0000 -225.64435 -220.96450 4.67985 1.97708 -220.48475 459.22673
1040.0000 -225.55731 -220.73486 4.82245 1.96385 -220.74659 445.24964
1045.0000 -226.92822 -222.30295 4.62527 1.89875 -222.03447 393.69067
1050.0000 -225.41146 -220.43321 4.97825 1.93596 -221.29838 420.90963
1055.0000 -225.51041 -220.39960 5.11081 1.95470 -220.92745 436.47246
1060.0000 -225.86292 -220.89666 4.96626 1.93717 -221.27428 417.97924
1065.0000 -226.45833 -221.35809 5.10024 1.95148 -220.99128 432.16354
1070.0000 -226.48330 -221.63731 4.84599 1.92477 -221.51973 411.59937
1075.0000 -226.34535 -221.01216 5.33319 1.95910 -220.84050 437.11759
1080.0000 -225.70728 -220.75862 4.94866 1.97066 -220.61170 447.51923
1085.0000 -225.60546 -221.16466 4.44080 1.96068 -220.80926 442.44229
1090.0000 -225.62688 -219.68508 5.94180 1.97436 -220.53864 447.74195
1095.0000 -224.96530 -220.66100 4.30429 2.00890 -219.85515 475.23682
1100.0000 -226.13789 -220.50780 5.63009 1.96416 -220.74034 441.67201
1105.0000 -225.78848 -220.38980 5.39868 1.98086 -220.40996 455.28278
1110.0000 -226.28600 -221.17859 5.10742 1.98525 -220.32308 460.55409
1115.0000 -225.92732 -221.24465 4.68267 1.93062 -221.40392 416.07083
1120.0000 -226.45984 -220.98688 5.47295 1.99301 -220.16955 460.52554
1125.0000 -226.06238 -221.31489 4.74749 1.96106 -220.80177 443.84125
1130.0000 -225.98727 -221.59415 4.39312 1.88924 -222.22252 383.64840
1135.0000 -226.43507 -222.53586 3.89921 1.91221 -221.76822 401.81777
1140.0000 -226.11355 -221.41352 4.70003 1.90208 -221.96866 394.69714
1145.0000 -226.12309 -221.41933 4.70376 1.93206 -221.37554 414.84711
1150.0000 -226.03766 -221.37791 4.65976 1.93702 -221.27740 419.00749
1155.0000 -225.37743 -220.68316 4.69427 1.93247 -221.36744 416.49034
1160.0000 -225.80233 -220.37053 5.43180 1.97394 -220.54684 444.91246
1165.0000 -226.30647 -221.41662 4.88986 1.95243 -220.97242 429.76869
1170.0000 -225.27411 -220.75249 4.52161 1.95153 -220.99033 434.80582
1175.0000 -225.56608 -220.83356 4.73252 1.96658 -220.69258 436.52784
1180.0000 -226.19771 -220.53282 5.66490 1.94747 -221.07064 423.72312
1185.0000 -226.07971 -221.60335 4.47635 1.92012 -221.61166 409.70200
1190.0000 -226.25398 -221.41992 4.83406 1.92078 -221.59871 404.51427
1195.0000 -225.91165 -220.50960 5.40205 1.93730 -221.27170 421.58182
1200.0000 -225.84624 -220.69841 5.14782 1.96972 -220.63046 450.41722
1205.0000 -226.02513 -220.58361 5.44152 1.96203 -220.78254 440.33808
1210.0000 -224.91037 -219.95072 4.95965 1.97605 -220.50518 448.73165
1215.0000 -225.57055 -220.03533 5.53522 2.00452 -219.94186 468.58423
1220.0000 -226.09249 -220.77656 5.31592 1.96583 -220.70742 439.88190
1225.0000 -225.78005 -220.79237 4.98769 1.95176 -220.98567 428.72120
1230.0000 -225.68093 -220.64011 5.04082 1.95899 -220.84266 432.22000
1235.0000 -226.05820 -220.86863 5.18957 1.95164 -220.98799 433.99674
1240.0000 -225.60338 -220.42336 5.18002 1.97447 -220.53643 447.53317
1245.0000 -225.67129 -221.36302 4.30827 1.96973 -220.63013 448.76157
1250.0000 -225.40269 -220.19380 5.20889 1.96784 -220.66765 443.60296
MELTING PROCESS: loop number 6 T-loop= 473.00000000000000
main_MD> interactions number 6 at Temperature= 473.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.18734 3.03397 3.67319
force_rgl> df(natom) -0.63171 2.98379 1.57331
1255.0000 -225.82158 -220.49904 5.32254 1.98660 -220.29632 460.26432
1260.0000 -225.12740 -220.67510 4.45230 1.96808 -220.66273 442.07714
1265.0000 -224.55340 -218.24388 6.30952 2.01417 -219.75090 482.61211
1270.0000 -225.30145 -219.17454 6.12691 2.04568 -219.12760 507.32506
1275.0000 -225.05593 -219.27915 5.77678 2.03221 -219.39410 491.11040
1280.0000 -224.93754 -218.95385 5.98370 2.03773 -219.28486 496.00565
1285.0000 -224.52371 -219.04856 5.47516 2.01537 -219.72713 480.41810
1290.0000 -225.01937 -219.28711 5.73226 2.03416 -219.35554 495.13904
1295.0000 -224.55597 -218.36946 6.18651 2.07378 -218.57153 524.20535
1300.0000 -225.07308 -220.57535 4.49773 2.04600 -219.12125 501.73573
1305.0000 -225.05003 -219.34801 5.70202 2.00858 -219.86151 476.78792
1310.0000 -225.32883 -220.17725 5.15158 2.01409 -219.75249 483.34476
1315.0000 -225.70032 -220.79083 4.90949 1.98869 -220.25510 455.62864
1320.0000 -225.37274 -220.01665 5.35609 1.97578 -220.51042 456.28534
1325.0000 -225.43010 -220.07291 5.35719 2.01837 -219.66787 487.25229
1330.0000 -225.00085 -219.50916 5.49170 2.02367 -219.56300 496.01570
1335.0000 -224.42362 -218.57389 5.84973 2.02900 -219.45746 485.13961
1340.0000 -225.88319 -220.87646 5.00673 2.01283 -219.77743 477.34499
1345.0000 -226.22326 -221.50762 4.71564 1.94198 -221.17926 423.22615
1350.0000 -225.73555 -220.43948 5.29607 1.94562 -221.10717 426.59984
1355.0000 -226.19910 -221.59779 4.60131 1.94628 -221.09409 426.93325
1360.0000 -225.03328 -220.06668 4.96660 1.96887 -220.64724 443.12039
1365.0000 -224.96351 -219.28889 5.67462 2.01514 -219.73182 481.41637
1370.0000 -224.31062 -218.81231 5.49831 2.02869 -219.46371 492.16521
1375.0000 -225.85586 -219.92065 5.93520 2.01816 -219.67194 485.20865
1380.0000 -225.91692 -220.15914 5.75778 2.02316 -219.57305 488.33802
1385.0000 -224.84581 -219.32233 5.52348 2.02395 -219.55755 490.91272
1390.0000 -225.55553 -219.82449 5.73105 2.01835 -219.66832 478.21482
1395.0000 -225.48080 -220.52815 4.95265 2.00667 -219.89934 470.15653
1400.0000 -225.19223 -220.19483 4.99741 1.96513 -220.72114 442.18171
1405.0000 -226.09920 -220.21187 5.88733 1.99622 -220.10603 469.89800
1410.0000 -225.26086 -219.52107 5.73979 2.03151 -219.40797 497.54546
1415.0000 -225.79988 -220.88890 4.91098 1.99716 -220.08745 466.05658
1420.0000 -225.78392 -220.56630 5.21762 1.99607 -220.10903 461.52075
1425.0000 -225.56169 -219.74881 5.81289 2.00146 -220.00251 471.38951
1430.0000 -225.72468 -220.70192 5.02276 1.97880 -220.45079 453.31982
1435.0000 -224.21542 -219.33931 4.87611 2.00062 -220.01894 468.53691
1440.0000 -224.79411 -219.79242 5.00169 2.01495 -219.73556 471.59806
1445.0000 -225.73222 -220.36397 5.36825 2.01960 -219.64354 484.38377
1450.0000 -225.72170 -220.53512 5.18658 1.98428 -220.34239 456.03457
1455.0000 -224.83419 -218.93926 5.89494 2.03859 -219.26775 483.41682
1460.0000 -224.07084 -218.53301 5.53783 2.09354 -218.18064 527.95047
1465.0000 -223.76339 -217.84390 5.91949 2.12533 -217.55175 550.09117
1470.0000 -225.09558 -218.71906 6.37652 2.07046 -218.63731 510.52663
1475.0000 -225.31415 -219.88304 5.43112 2.04473 -219.14642 503.91500
1480.0000 -225.65119 -219.73428 5.91691 2.00495 -219.93346 469.74140
1485.0000 -224.26753 -218.94408 5.32345 2.02583 -219.52032 488.70471
1490.0000 -224.82576 -219.09176 5.73399 2.04295 -219.18156 504.40401
1495.0000 -224.67051 -219.11606 5.55445 2.03386 -219.36142 497.85654
1500.0000 -224.74843 -219.78188 4.96656 2.02511 -219.53444 469.01767
MELTING PROCESS: loop number 7 T-loop= 498.00000000000000
main_MD> interactions number 7 at Temperature= 498.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.54586 0.09236 -0.40643
force_rgl> df(natom) 0.11291 -0.58679 -0.99732
1505.0000 -224.53203 -219.23547 5.29657 2.03914 -219.25695 475.24221
1510.0000 -223.66515 -218.11078 5.55437 2.08787 -218.29291 493.06249
1515.0000 -223.89236 -218.65622 5.23614 2.07655 -218.51688 488.41232
1520.0000 -224.54110 -218.13417 6.40693 2.07812 -218.48569 491.10826
1525.0000 -223.85560 -218.43128 5.42433 2.08381 -218.37321 512.86979
1530.0000 -224.98444 -219.21327 5.77117 2.09006 -218.24950 516.29457
1535.0000 -225.87125 -220.20236 5.66889 2.02621 -219.51282 468.75920
1540.0000 -223.96385 -219.12323 4.84062 2.03200 -219.39812 469.89499
1545.0000 -225.01784 -219.01445 6.00339 2.05378 -218.96726 488.66697
1550.0000 -224.12461 -218.20740 5.91721 2.08772 -218.29576 517.35856
1555.0000 -224.57589 -218.74132 5.83457 2.08442 -218.36108 516.81583
1560.0000 -225.32615 -219.89843 5.42773 2.04058 -219.22853 480.81599
1565.0000 -224.50811 -219.54608 4.96204 2.00208 -219.99012 447.88099
1570.0000 -224.43705 -218.53095 5.90609 2.05763 -218.89123 489.89150
1575.0000 -223.58317 -218.11926 5.46391 2.05174 -219.00771 478.17169
1580.0000 -224.50709 -218.78307 5.72402 2.07118 -218.62298 490.52287
1585.0000 -223.21015 -217.86383 5.34632 2.11150 -217.82530 504.75934
1590.0000 -223.16077 -217.47354 5.68723 2.12159 -217.62577 535.58293
1595.0000 -223.72639 -217.95118 5.77521 2.11485 -217.75905 502.85904
1600.0000 -224.01892 -219.10425 4.91467 2.08537 -218.34237 501.28234
1605.0000 -224.36354 -218.91876 5.44478 2.07278 -218.59140 482.43387
1610.0000 -223.73122 -217.55006 6.18115 2.08063 -218.43604 505.41622
1615.0000 -223.25107 -217.14606 6.10501 2.14593 -217.14415 554.20696
1620.0000 -222.15604 -215.91373 6.24231 2.17166 -216.63510 578.02858
1625.0000 -222.82912 -216.58306 6.24606 2.15811 -216.90322 555.21676
1630.0000 -223.27731 -217.38994 5.88737 2.14370 -217.18833 560.31481
1635.0000 -224.59142 -218.97789 5.61353 2.09124 -218.22614 522.77749
1640.0000 -223.47181 -217.57118 5.90064 2.06872 -218.67182 479.70144
1645.0000 -223.98088 -216.96662 7.01426 2.15484 -216.96797 533.03122
1650.0000 -223.44168 -217.85889 5.58279 2.14850 -217.09326 534.02494
1655.0000 -223.43082 -218.60982 4.82100 2.11979 -217.66133 509.43036
1660.0000 -224.76859 -218.85442 5.91416 2.07735 -218.50098 479.24111
1665.0000 -223.86870 -218.09213 5.77657 2.07014 -218.64364 489.46096
1670.0000 -224.46041 -217.50461 6.95580 2.14945 -217.07448 548.54805
1675.0000 -224.83426 -219.09733 5.73694 2.06413 -218.76252 497.05265
1680.0000 -225.03684 -218.51528 6.52157 2.09985 -218.05593 518.18795
1685.0000 -224.64595 -219.33636 5.30958 2.06164 -218.81179 502.91355
1690.0000 -224.40282 -219.87926 4.52356 2.03687 -219.30184 484.18794
1695.0000 -223.78891 -218.19493 5.59398 2.04157 -219.20894 479.68740
1700.0000 -223.34393 -218.20394 5.13999 2.09390 -218.17352 504.50600
1705.0000 -223.83213 -217.87964 5.95249 2.12049 -217.64748 513.28844
1710.0000 -224.31957 -218.14694 6.17263 2.10446 -217.96471 510.41932
1715.0000 -223.50226 -218.43928 5.06298 2.10318 -217.98990 493.66522
1720.0000 -224.03889 -218.60538 5.43352 2.06112 -218.82210 470.47952
1725.0000 -224.77204 -219.70170 5.07033 2.02565 -219.52386 454.73195
1730.0000 -223.79427 -218.52208 5.27219 2.06220 -218.80065 493.92995
1735.0000 -224.60278 -217.86946 6.73332 2.08512 -218.34729 506.05686
1740.0000 -225.37242 -219.21330 6.15912 2.09764 -218.09950 521.79873
1745.0000 -224.83808 -220.20673 4.63134 2.02444 -219.54781 455.09666
1750.0000 -224.62613 -219.06504 5.56110 2.00607 -219.91118 463.98778
MELTING PROCESS: loop number 8 T-loop= 523.00000000000000
main_MD> interactions number 8 at Temperature= 523.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.20089 -1.71428 0.18620
force_rgl> df(natom) -0.26433 0.88034 0.82072
1755.0000 -223.83680 -217.57443 6.26237 2.10379 -217.97793 509.55014
1760.0000 -223.88262 -217.57621 6.30640 2.12126 -217.63219 526.51085
1765.0000 -222.72874 -216.98736 5.74138 2.15629 -216.93928 541.17314
1770.0000 -223.14452 -217.12678 6.01774 2.13886 -217.28396 525.65400
1775.0000 -224.08483 -218.40536 5.67947 2.10888 -217.87714 515.17521
1780.0000 -223.61906 -217.21876 6.40030 2.13125 -217.43461 539.40708
1785.0000 -222.63945 -216.00943 6.63002 2.15869 -216.89181 569.52610
1790.0000 -222.80088 -215.95853 6.84234 2.22167 -215.64570 564.79093
1795.0000 -223.33958 -216.71338 6.62620 2.18940 -216.28416 550.04925
1800.0000 -223.59816 -216.77875 6.81941 2.16949 -216.67811 542.15839
1805.0000 -224.74357 -218.49206 6.25150 2.13135 -217.43267 521.44044
1810.0000 -223.25555 -217.08395 6.17160 2.09736 -218.10510 497.25197
1815.0000 -223.00115 -217.50473 5.49642 2.13835 -217.29414 519.79565
1820.0000 -224.04401 -217.96139 6.08262 2.10651 -217.92400 522.83828
1825.0000 -224.63342 -218.71804 5.91538 2.05583 -218.92668 484.98530
1830.0000 -224.02914 -217.19151 6.83763 2.11841 -217.68865 530.32228
1835.0000 -222.80771 -217.00386 5.80385 2.14622 -217.13835 538.30150
1840.0000 -222.18259 -216.42141 5.76118 2.20364 -216.00242 565.71971
1845.0000 -223.65261 -217.16461 6.48800 2.17104 -216.64744 531.81257
1850.0000 -222.71796 -217.23910 5.47887 2.12477 -217.56280 506.99006
1855.0000 -222.24955 -217.18700 5.06255 2.14407 -217.18095 523.53543
1860.0000 -222.67346 -217.02035 5.65311 2.13866 -217.28808 496.97884
1865.0000 -222.44231 -217.04710 5.39521 2.15331 -216.99825 493.75908
1870.0000 -223.67533 -217.52196 6.15337 2.12012 -217.65485 486.41186
1875.0000 -223.11319 -217.45771 5.65549 2.10567 -217.94072 498.09723
1880.0000 -223.50455 -217.17650 6.32805 2.14238 -217.21439 531.12040
1885.0000 -222.88994 -217.13134 5.75860 2.12414 -217.57520 518.03566
1890.0000 -223.08471 -216.65881 6.42590 2.17172 -216.63388 543.83045
1895.0000 -221.91695 -216.97817 4.93879 2.15313 -217.00179 538.87102
1900.0000 -223.00022 -216.56810 6.43212 2.18272 -216.41639 563.42468
1905.0000 -223.45517 -217.45636 5.99880 2.15888 -216.88800 551.78755
1910.0000 -222.99495 -217.00864 5.98631 2.13187 -217.42233 532.98041
1915.0000 -224.38534 -218.70211 5.68324 2.10515 -217.95103 518.64143
1920.0000 -223.83252 -218.07125 5.76127 2.07416 -218.56414 501.51455
1925.0000 -224.45018 -217.05172 7.39846 2.12710 -217.51666 525.31757
1930.0000 -223.51792 -217.60858 5.90934 2.13716 -217.31763 545.08570
1935.0000 -223.45574 -217.37310 6.08264 2.15327 -216.99905 537.07735
1940.0000 -222.84356 -216.92981 5.91375 2.14402 -217.18194 516.43641
1945.0000 -222.70268 -216.14011 6.56258 2.17270 -216.61463 541.50142
1950.0000 -222.69950 -216.47948 6.22003 2.23278 -215.42584 606.10190
1955.0000 -224.16099 -217.64887 6.51212 2.14986 -217.06651 549.21457
1960.0000 -224.19158 -218.25921 5.93237 2.13642 -217.33228 531.57675
1965.0000 -223.85787 -218.50207 5.35580 2.07961 -218.45623 495.86718
1970.0000 -223.53883 -218.76949 4.76933 2.06900 -218.66617 490.86333
1975.0000 -223.99884 -218.02856 5.97028 2.08591 -218.33154 494.37646
1980.0000 -223.60845 -217.74233 5.86611 2.08604 -218.32906 504.99850
1985.0000 -222.77981 -217.01470 5.76511 2.12128 -217.63183 511.57552
1990.0000 -223.25474 -217.52114 5.73360 2.14536 -217.15552 530.89409
1995.0000 -223.27273 -216.92576 6.34697 2.12945 -217.47021 521.62323
2000.0000 -223.15616 -217.21156 5.94460 2.13418 -217.37659 530.33940
MELTING PROCESS: loop number 9 T-loop= 548.00000000000000
main_MD> interactions number 9 at Temperature= 548.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 6.40272 0.81728 -0.80813
force_rgl> df(natom) 2.55571 0.17231 -0.08240
2005.0000 -223.55300 -217.03897 6.51403 2.13029 -217.45361 531.25330
2010.0000 -223.44768 -216.75733 6.69035 2.13745 -217.31186 537.97920
2015.0000 -222.48201 -215.45464 7.02738 2.17086 -216.65097 557.73794
2020.0000 -222.48575 -215.94781 6.53794 2.21142 -215.84845 581.75756
2025.0000 -222.68743 -216.56686 6.12057 2.20184 -216.03806 585.10283
2030.0000 -222.73921 -216.38937 6.34985 2.18733 -216.32502 555.96393
2035.0000 -222.84215 -216.58604 6.25612 2.17147 -216.63893 536.42537
2040.0000 -222.54657 -215.26112 7.28545 2.22887 -215.50330 584.72881
2045.0000 -222.38299 -216.79924 5.58375 2.21098 -215.85714 553.14634
2050.0000 -222.27791 -216.87379 5.40412 2.13714 -217.31801 510.99574
2055.0000 -221.96296 -216.23434 5.72862 2.18226 -216.42533 539.97763
2060.0000 -222.90024 -216.84777 6.05247 2.15569 -216.95114 534.64650
2065.0000 -222.89639 -215.82997 7.06641 2.17982 -216.47366 548.16125
2070.0000 -222.38805 -216.24609 6.14195 2.18895 -216.29297 545.33713
2075.0000 -222.59527 -215.82408 6.77119 2.18556 -216.36013 533.21396
2080.0000 -221.60005 -215.62908 5.97097 2.23582 -215.36568 561.43673
2085.0000 -222.93819 -216.00198 6.93622 2.21547 -215.76831 553.78276
2090.0000 -223.87691 -217.03615 6.84077 2.18949 -216.28234 596.99919
2095.0000 -224.24600 -217.61243 6.63357 2.10528 -217.94834 531.36266
2100.0000 -223.87490 -218.68160 5.19329 2.13547 -217.35110 567.31841
2105.0000 -223.53912 -217.79172 5.74739 2.10405 -217.97283 537.83262
2110.0000 -223.93716 -218.26529 5.67187 2.14265 -217.20899 560.73214
2115.0000 -224.81456 -218.57663 6.23793 2.06228 -218.79920 499.32713
2120.0000 -223.11101 -218.05293 5.05808 2.08036 -218.44144 523.29819
2125.0000 -224.28883 -218.20213 6.08670 2.09030 -218.24472 532.69780
2130.0000 -224.53283 -218.02642 6.50641 2.10120 -218.02909 544.84082
2135.0000 -223.82446 -216.81624 7.00822 2.12011 -217.65500 548.25446
2140.0000 -223.98558 -217.83517 6.15041 2.14354 -217.19151 544.70181
2145.0000 -223.71324 -216.54003 7.17322 2.11961 -217.66489 509.66391
2150.0000 -221.39132 -215.52660 5.86472 2.22403 -215.59908 592.46892
2155.0000 -223.47068 -217.71333 5.75734 2.17778 -216.51407 570.18945
2160.0000 -223.66603 -217.27426 6.39177 2.13282 -217.40350 525.23599
2165.0000 -223.15682 -217.16742 5.98940 2.15810 -216.90344 547.43690
2170.0000 -222.62225 -216.59147 6.03078 2.16783 -216.71089 545.66703
2175.0000 -223.23690 -217.13645 6.10045 2.16908 -216.68608 534.76958
2180.0000 -224.13869 -217.16398 6.97471 2.10488 -217.95622 511.65793
2185.0000 -222.66114 -216.92358 5.73756 2.15959 -216.87387 557.52844
2190.0000 -221.76845 -215.55561 6.21284 2.17093 -216.64963 579.40668
2195.0000 -224.11234 -217.81081 6.30153 2.15652 -216.93475 569.27996
2200.0000 -223.92133 -217.29103 6.63030 2.11684 -217.71968 545.46865
2205.0000 -223.00348 -216.43629 6.56718 2.17192 -216.62991 592.02767
2210.0000 -223.83002 -216.24688 7.58314 2.19827 -216.10870 567.30071
2215.0000 -223.39067 -217.05197 6.33870 2.16017 -216.86241 548.46065
2220.0000 -224.05285 -217.78270 6.27015 2.12700 -217.51860 522.70288
2225.0000 -223.19569 -218.18144 5.01426 2.09653 -218.12151 487.28753
2230.0000 -223.14170 -215.77528 7.36642 2.16325 -216.80158 536.09317
2235.0000 -222.14365 -215.73788 6.40577 2.21543 -215.76912 571.46285
2240.0000 -222.25440 -216.44426 5.81014 2.20878 -215.90071 539.02295
2245.0000 -221.65107 -216.05431 5.59676 2.19559 -216.16164 535.93909
2250.0000 -221.14750 -214.92437 6.22313 2.23600 -215.36224 558.19139
MELTING PROCESS: loop number 10 T-loop= 573.00000000000000
main_MD> interactions number 10 at Temperature= 573.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.37108 0.41953 1.50076
force_rgl> df(natom) -1.54810 -3.50081 -0.88798
2255.0000 -219.97631 -213.02553 6.95079 2.32838 -213.53458 611.14505
2260.0000 -222.38443 -216.34861 6.03583 2.28429 -214.40676 595.04268
2265.0000 -221.74002 -215.22777 6.51225 2.21699 -215.73829 542.81357
2270.0000 -221.27442 -215.62514 5.64928 2.25293 -215.02719 554.24258
2275.0000 -222.48890 -215.76130 6.72760 2.19301 -216.21279 510.67973
2280.0000 -221.41005 -214.71160 6.69845 2.23399 -215.40206 556.21189
2285.0000 -222.10619 -215.82262 6.28358 2.25643 -214.95807 570.18160
2290.0000 -221.53382 -215.52746 6.00636 2.22731 -215.53418 555.67105
2295.0000 -222.39153 -215.62973 6.76180 2.21958 -215.68708 541.90559
2300.0000 -221.02765 -215.29671 5.73094 2.24016 -215.27988 550.23217
2305.0000 -222.78706 -216.93967 5.84739 2.22094 -215.66010 539.60992
2310.0000 -221.75658 -215.82044 5.93613 2.23098 -215.46142 566.31363
2315.0000 -222.41890 -215.02357 7.39533 2.22243 -215.63057 551.68492
2320.0000 -221.76533 -214.14923 7.61609 2.27185 -214.65298 574.17180
2325.0000 -221.71450 -214.73234 6.98217 2.28368 -214.41894 606.40152
2330.0000 -221.05994 -214.71052 6.34942 2.27136 -214.66262 611.54175
2335.0000 -222.45220 -216.21104 6.24116 2.20577 -215.96026 566.32227
2340.0000 -222.67271 -216.23804 6.43467 2.18321 -216.40660 544.44840
2345.0000 -221.84055 -216.64501 5.19554 2.19320 -216.20896 560.68896
2350.0000 -221.98024 -215.56214 6.41810 2.20674 -215.94109 553.62790
2355.0000 -222.37849 -215.54177 6.83672 2.21100 -215.85682 585.25462
2360.0000 -222.66077 -216.12102 6.53975 2.20816 -215.91304 564.05610
2365.0000 -220.76220 -214.70723 6.05497 2.23191 -215.44311 582.86821
2370.0000 -221.35354 -215.16419 6.18935 2.24198 -215.24394 589.15912
2375.0000 -223.41595 -215.65737 7.75858 2.21464 -215.78487 595.93839
2380.0000 -222.43333 -216.67190 5.76143 2.17582 -216.55272 574.12929
2385.0000 -222.65086 -215.60088 7.04998 2.19355 -216.20194 545.47343
2390.0000 -221.85609 -215.97042 5.88567 2.22746 -215.53124 563.84051
2395.0000 -221.37279 -214.68674 6.68606 2.20403 -215.99466 531.08023
2400.0000 -221.53411 -215.95521 5.57889 2.23622 -215.35776 551.91446
2405.0000 -221.97846 -214.92491 7.05355 2.24167 -215.25005 550.09082
2410.0000 -221.47396 -214.72310 6.75086 2.30609 -213.97553 611.35104
2415.0000 -222.35328 -215.42939 6.92389 2.26145 -214.85859 570.44295
2420.0000 -221.89792 -214.97696 6.92095 2.24024 -215.27824 572.79535
2425.0000 -221.43344 -214.69273 6.74071 2.26132 -214.86118 578.59184
2430.0000 -222.11867 -215.82900 6.28967 2.23575 -215.36710 562.11397
2435.0000 -222.07717 -215.29501 6.78216 2.22331 -215.61329 568.61388
2440.0000 -220.23771 -213.63781 6.59991 2.27363 -214.61765 596.76606
2445.0000 -221.23227 -214.51536 6.71692 2.25844 -214.91818 579.02259
2450.0000 -222.01287 -214.90052 7.11234 2.27940 -214.50349 579.54536
2455.0000 -220.70496 -214.72501 5.97995 2.26461 -214.79608 579.74840
2460.0000 -220.35578 -213.69694 6.65884 2.26514 -214.78567 565.04562
2465.0000 -222.46934 -215.36750 7.10184 2.26792 -214.73062 594.67391
2470.0000 -221.60774 -214.91191 6.69583 2.25837 -214.91958 573.59731
2475.0000 -221.06660 -215.63509 5.43151 2.24042 -215.27480 552.54978
2480.0000 -220.99120 -214.48285 6.50835 2.25315 -215.02281 549.35126
2485.0000 -222.34415 -215.12712 7.21704 2.26428 -214.80274 564.60448
2490.0000 -220.78114 -214.18448 6.59666 2.29330 -214.22845 592.95057
2495.0000 -220.80423 -213.85828 6.94595 2.28845 -214.32457 589.95138
2500.0000 -221.94283 -215.18770 6.75513 2.28591 -214.37470 588.68011
MELTING PROCESS: loop number 11 T-loop= 598.00000000000000
main_MD> interactions number 11 at Temperature= 598.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.61963 1.14274 1.25345
force_rgl> df(natom) -2.49708 2.00304 1.78610
2505.0000 -219.90009 -212.28812 7.61197 2.31108 -213.87683 605.24438
2510.0000 -218.96766 -212.10987 6.85779 2.39995 -212.11858 662.68897
2515.0000 -220.08508 -211.89448 8.19059 2.39923 -212.13281 675.50493
2520.0000 -221.02157 -214.01317 7.00840 2.34824 -213.14165 655.74883
2525.0000 -221.28100 -214.06165 7.21934 2.29992 -214.09752 603.22572
2530.0000 -221.31461 -213.88367 7.43095 2.26344 -214.81933 569.63805
2535.0000 -219.84630 -213.49108 6.35522 2.33735 -213.35708 633.76631
2540.0000 -221.44267 -215.07807 6.36460 2.33993 -213.30600 615.46060
2545.0000 -221.35351 -214.02239 7.33112 2.25587 -214.96910 545.44237
2550.0000 -221.01327 -213.78132 7.23195 2.30841 -213.92954 602.46591
2555.0000 -220.99024 -214.43518 6.55505 2.28086 -214.47477 558.17993
2560.0000 -219.85380 -212.79728 7.05652 2.29416 -214.21144 586.61243
2565.0000 -219.54430 -212.53094 7.01336 2.36599 -212.79039 649.98305
2570.0000 -221.27993 -214.07906 7.20086 2.33341 -213.43500 621.26298
2575.0000 -221.17131 -214.04949 7.12181 2.32489 -213.60350 625.26401
2580.0000 -220.22247 -213.10446 7.11801 2.33464 -213.41068 619.45861
2585.0000 -220.18719 -212.70404 7.48315 2.35800 -212.94847 618.65002
2590.0000 -219.90030 -213.26707 6.63323 2.40063 -212.10509 671.65989
2595.0000 -221.07236 -214.69962 6.37274 2.27937 -214.50424 594.39917
2600.0000 -221.36611 -214.18576 7.18035 2.30715 -213.95449 607.09302
2605.0000 -221.88244 -215.06182 6.82061 2.27562 -214.57840 589.31101
2610.0000 -220.45941 -215.17461 5.28480 2.23843 -215.31407 556.07033
2615.0000 -219.86553 -213.68547 6.18005 2.27576 -214.57558 565.84181
2620.0000 -221.13065 -213.76492 7.36572 2.32917 -213.51891 618.41737
2625.0000 -221.39242 -213.34304 8.04938 2.31208 -213.85709 614.50638
2630.0000 -221.47905 -215.18260 6.29645 2.27313 -214.62755 591.80264
2635.0000 -220.98907 -214.94856 6.04052 2.24329 -215.21799 578.30761
2640.0000 -220.95577 -214.42338 6.53239 2.25725 -214.94170 590.67124
2645.0000 -218.85476 -212.33670 6.51805 2.33427 -213.41798 632.74838
2650.0000 -219.69212 -214.42923 5.26289 2.35067 -213.09344 628.69993
2655.0000 -220.09761 -213.50922 6.58839 2.29369 -214.22085 571.36236
2660.0000 -222.44160 -214.66779 7.77382 2.30028 -214.09041 593.56185
2665.0000 -220.89197 -214.34345 6.54852 2.28648 -214.36355 602.60645
2670.0000 -222.25213 -216.05848 6.19365 2.24952 -215.09476 573.45061
2675.0000 -221.07635 -214.46861 6.60774 2.23841 -215.31459 552.61284
2680.0000 -220.87019 -215.31063 5.55956 2.27580 -214.57474 581.05297
2685.0000 -221.63821 -214.58734 7.05087 2.27222 -214.64561 564.53690
2690.0000 -220.49568 -213.91468 6.58099 2.30777 -213.94225 578.91476
2695.0000 -221.93849 -215.93993 5.99856 2.24739 -215.13680 551.56878
2700.0000 -221.84679 -215.43977 6.40702 2.22759 -215.52859 557.21597
2705.0000 -220.99229 -214.68664 6.30565 2.26461 -214.79608 579.94955
2710.0000 -219.84978 -212.69007 7.15971 2.30651 -213.96717 584.78086
2715.0000 -220.97722 -214.17009 6.80712 2.31646 -213.77027 585.87372
2720.0000 -219.53450 -213.00627 6.52823 2.30666 -213.96425 594.28770
2725.0000 -219.73195 -213.36630 6.36564 2.36080 -212.89301 628.94680
2730.0000 -221.17741 -213.81181 7.36561 2.31727 -213.75433 590.23632
2735.0000 -222.19741 -215.33218 6.86524 2.26004 -214.88648 578.96579
2740.0000 -221.27431 -214.26459 7.00972 2.25934 -214.90039 570.52710
2745.0000 -220.55582 -213.91059 6.64523 2.29689 -214.15743 597.05119
2750.0000 -221.24352 -214.62569 6.61783 2.31401 -213.81883 590.16208
MELTING PROCESS: loop number 12 T-loop= 623.00000000000000
main_MD> interactions number 12 at Temperature= 623.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.81238 3.91564 -2.52913
force_rgl> df(natom) 0.66389 -1.11773 -0.54489
2755.0000 -221.09127 -214.17345 6.91783 2.28143 -214.46333 561.85426
2760.0000 -220.21035 -213.12103 7.08931 2.32435 -213.61427 624.69754
2765.0000 -220.62311 -212.15961 8.46350 2.37537 -212.60489 660.95045
2770.0000 -221.21212 -213.73473 7.47739 2.35245 -213.05826 642.69695
2775.0000 -222.08539 -214.11511 7.97028 2.30238 -214.04899 632.38150
2780.0000 -222.96488 -215.91642 7.04846 2.26235 -214.84097 616.96065
2785.0000 -222.91950 -215.86935 7.05015 2.21764 -215.72552 595.87302
2790.0000 -222.32137 -215.50692 6.81445 2.21060 -215.86473 583.82976
2795.0000 -221.06418 -213.78490 7.27928 2.29820 -214.13155 621.89352
2800.0000 -221.41690 -213.50354 7.91336 2.32622 -213.57722 633.19771
2805.0000 -219.55596 -212.71717 6.83879 2.35925 -212.92376 661.81052
2810.0000 -219.14540 -210.96126 8.18414 2.40644 -211.99015 653.23646
2815.0000 -219.26676 -212.35862 6.90815 2.39428 -212.23064 640.01299
2820.0000 -218.62162 -212.08742 6.53420 2.39570 -212.20262 647.36635
2825.0000 -219.92267 -213.60423 6.31845 2.40766 -211.96598 661.11610
2830.0000 -220.82450 -214.09519 6.72930 2.31636 -213.77232 602.53590
2835.0000 -220.97167 -213.08471 7.88696 2.34822 -213.14195 630.93554
2840.0000 -220.30820 -213.16187 7.14634 2.36086 -212.89197 641.42827
2845.0000 -220.92509 -213.21350 7.71159 2.36530 -212.80403 631.67739
2850.0000 -221.41050 -213.75962 7.65088 2.35209 -213.06537 644.31463
2855.0000 -220.95602 -214.68876 6.26726 2.31714 -213.75684 608.00076
2860.0000 -220.49024 -213.52066 6.96958 2.29724 -214.15062 611.52926
2865.0000 -220.47987 -214.03964 6.44024 2.32441 -213.61309 637.34608
2870.0000 -220.60672 -214.26685 6.33987 2.31539 -213.79161 599.42032
2875.0000 -221.31190 -214.39770 6.91421 2.28564 -214.38008 581.33652
2880.0000 -220.49818 -214.13864 6.35954 2.31754 -213.74905 599.44717
2885.0000 -220.21928 -213.63526 6.58402 2.28741 -214.34512 572.26570
2890.0000 -220.93180 -214.29303 6.63877 2.33328 -213.43748 593.81959
2895.0000 -220.97924 -213.02277 7.95647 2.31842 -213.73159 601.95517
2900.0000 -219.54178 -211.54785 7.99393 2.38924 -212.33045 651.82313
2905.0000 -220.87376 -213.60191 7.27186 2.35648 -212.97852 635.88644
2910.0000 -220.50184 -213.40651 7.09532 2.32261 -213.64866 620.00676
2915.0000 -221.15995 -214.93913 6.22082 2.28959 -214.30203 579.29939
2920.0000 -220.70706 -214.39255 6.31451 2.29532 -214.18851 587.70386
2925.0000 -221.47845 -214.26865 7.20981 2.28101 -214.47169 583.61483
2930.0000 -221.33101 -213.55968 7.77133 2.32649 -213.57194 615.41127
2935.0000 -220.81463 -213.14183 7.67280 2.36681 -212.77425 643.63284
2940.0000 -218.28371 -210.49239 7.79132 2.37876 -212.53774 633.50476
2945.0000 -220.73408 -211.96920 8.76488 2.42128 -211.69653 689.53926
2950.0000 -219.17730 -212.59793 6.57937 2.34938 -213.11908 628.57714
2955.0000 -218.94003 -212.62695 6.31308 2.40081 -212.10160 631.86163
2960.0000 -219.98256 -211.58746 8.39510 2.40645 -211.99001 660.04742
2965.0000 -220.90943 -213.41339 7.49604 2.35819 -212.94467 645.88308
2970.0000 -220.22885 -213.00858 7.22026 2.33467 -213.41000 610.64140
2975.0000 -220.31955 -214.45438 5.86516 2.30226 -214.05122 597.82641
2980.0000 -220.65370 -214.05167 6.60203 2.28052 -214.48135 590.25307
2985.0000 -221.22008 -214.49563 6.72445 2.31939 -213.71231 610.55431
2990.0000 -221.99009 -215.24404 6.74605 2.25014 -215.08237 576.21455
2995.0000 -221.41232 -214.95667 6.45564 2.25841 -214.91879 575.46626
3000.0000 -219.66323 -212.58710 7.07613 2.33015 -213.49958 609.74378
MELTING PROCESS: loop number 13 T-loop= 648.00000000000000
main_MD> interactions number 13 at Temperature= 648.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.30506 -0.21888 -0.25693
force_rgl> df(natom) -0.49843 -2.43142 -0.78202
3005.0000 -219.85570 -213.07227 6.78343 2.34052 -213.29427 625.75397
3010.0000 -219.60125 -211.95237 7.64888 2.38409 -212.43241 661.82459
3015.0000 -220.17231 -211.50746 8.66485 2.41984 -211.72509 696.74530
3020.0000 -218.54975 -211.63692 6.91283 2.40822 -211.95501 652.79065
3025.0000 -219.26908 -211.39716 7.87192 2.42843 -211.55516 673.39007
3030.0000 -217.29087 -210.56031 6.73055 2.46353 -210.86071 700.43210
3035.0000 -219.44785 -211.54243 7.90542 2.45256 -211.07772 692.52984
3040.0000 -219.35860 -212.37597 6.98263 2.40601 -211.99860 643.92088
3045.0000 -219.06405 -212.96153 6.10253 2.38665 -212.38168 634.08435
3050.0000 -220.46863 -213.19627 7.27236 2.35231 -213.06110 630.32893
3055.0000 -219.65252 -211.10278 8.54974 2.37005 -212.71007 655.89625
3060.0000 -220.19893 -212.44441 7.75452 2.43455 -211.43399 722.49089
3065.0000 -219.05658 -211.80847 7.24811 2.39195 -212.27677 662.52723
3070.0000 -219.36457 -211.68670 7.67786 2.38750 -212.36490 650.07387
3075.0000 -219.67071 -212.86463 6.80608 2.38350 -212.44397 650.37109
3080.0000 -219.34386 -212.27604 7.06782 2.36509 -212.80832 634.09887
3085.0000 -222.10597 -214.37646 7.72951 2.37269 -212.65795 623.46290
3090.0000 -220.54063 -212.33290 8.20772 2.31168 -213.86485 620.01686
3095.0000 -219.32944 -212.07179 7.25765 2.40843 -211.95077 669.87927
3100.0000 -219.96019 -212.18180 7.77839 2.40064 -212.10482 665.47074
3105.0000 -219.84205 -212.41194 7.43011 2.40762 -211.96685 653.19346
3110.0000 -219.93296 -211.38596 8.54700 2.41450 -211.83068 678.26291
3115.0000 -220.35376 -213.16252 7.19124 2.40775 -211.96424 681.11637
3120.0000 -220.13368 -212.93387 7.19982 2.33508 -213.40201 627.16144
3125.0000 -219.82096 -213.03358 6.78738 2.42970 -211.52999 685.84901
3130.0000 -221.25260 -213.91717 7.33543 2.36026 -212.90382 612.78979
3135.0000 -220.80088 -214.52724 6.27364 2.28410 -214.41048 582.90244
3140.0000 -220.25369 -212.53074 7.72294 2.32056 -213.68927 619.86290
3145.0000 -220.05973 -213.08974 6.97000 2.39201 -212.27556 658.77938
3150.0000 -218.81575 -211.29771 7.51804 2.37639 -212.58463 653.01670
3155.0000 -219.41624 -210.25794 9.15830 2.42983 -211.52737 683.22510
3160.0000 -220.19863 -211.44044 8.75819 2.44889 -211.15037 688.56027
3165.0000 -218.16525 -211.30688 6.85836 2.45128 -211.10306 692.67784
3170.0000 -220.38322 -212.07955 8.30367 2.40936 -211.93235 656.28191
3175.0000 -219.45293 -213.37909 6.07384 2.37741 -212.56457 641.14262
3180.0000 -220.29410 -212.40104 7.89306 2.33273 -213.44854 614.26099
3185.0000 -218.87890 -211.97109 6.90781 2.36929 -212.72506 616.60498
3190.0000 -219.77777 -211.69933 8.07844 2.43206 -211.48336 685.94913
3195.0000 -218.34063 -210.74400 7.59663 2.44445 -211.23815 701.72760
3200.0000 -220.03731 -211.63827 8.39904 2.45059 -211.11666 711.25334
3205.0000 -219.74820 -212.59681 7.15140 2.39940 -212.12935 663.34781
3210.0000 -218.76465 -210.68704 8.07761 2.42433 -211.63614 668.37213
3215.0000 -219.35173 -211.48138 7.87035 2.43737 -211.37817 686.70892
3220.0000 -219.77267 -212.30006 7.47261 2.41246 -211.87108 659.64483
3225.0000 -219.27411 -212.17635 7.09776 2.39141 -212.28750 633.26884
3230.0000 -220.56326 -212.39233 8.17092 2.35866 -212.93552 627.87340
3235.0000 -220.31256 -212.58935 7.72321 2.43055 -211.51313 702.48125
3240.0000 -221.37401 -213.68427 7.68974 2.36281 -212.85324 655.99900
3245.0000 -220.98467 -213.27861 7.70605 2.30263 -214.04403 592.38313
3250.0000 -219.49649 -212.62881 6.86768 2.34712 -213.16378 622.50911
MELTING PROCESS: loop number 14 T-loop= 673.00000000000000
main_MD> interactions number 14 at Temperature= 673.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55804 -2.88189 -1.46101
force_rgl> df(natom) 2.78478 1.04581 -2.94333
3255.0000 -219.61842 -211.99273 7.62569 2.41165 -211.88699 689.35842
3260.0000 -220.71764 -213.75086 6.96678 2.38952 -212.32486 671.62268
3265.0000 -219.26349 -211.79586 7.46763 2.39373 -212.24164 659.00384
3270.0000 -218.75824 -210.65155 8.10669 2.43241 -211.47640 676.80729
3275.0000 -219.79953 -211.59568 8.20385 2.46379 -210.85544 708.02998
3280.0000 -218.47681 -210.55108 7.92573 2.48050 -210.52492 698.58415
3285.0000 -217.41959 -209.05205 8.36754 2.47922 -210.55033 699.09549
3290.0000 -219.04930 -210.48659 8.56271 2.48933 -210.35023 716.11733
3295.0000 -217.96350 -210.16134 7.80216 2.46928 -210.74692 710.26080
3300.0000 -219.27549 -210.43423 8.84126 2.47657 -210.60261 697.88189
3305.0000 -218.42895 -210.56070 7.86825 2.50885 -209.96397 745.90765
3310.0000 -217.40221 -210.28741 7.11480 2.47308 -210.67175 695.82643
3315.0000 -217.95292 -209.84340 8.10952 2.49073 -210.32243 714.10730
3320.0000 -218.90538 -211.16388 7.74150 2.48111 -210.51293 684.52324
3325.0000 -218.53441 -210.84158 7.69283 2.47515 -210.63069 686.65924
3330.0000 -220.02338 -211.64646 8.37693 2.44257 -211.27543 695.57402
3335.0000 -219.46868 -212.82374 6.64494 2.39516 -212.21340 657.95710
3340.0000 -219.12717 -211.53109 7.59609 2.42769 -211.56971 672.14223
3345.0000 -220.07624 -212.75054 7.32570 2.40216 -212.07491 665.40263
3350.0000 -220.69122 -212.31393 8.37729 2.40556 -212.00758 678.23307
3355.0000 -219.14549 -212.48891 6.65658 2.38991 -212.31712 667.07159
3360.0000 -219.18771 -212.13377 7.05394 2.38553 -212.40380 658.61341
3365.0000 -219.81952 -211.31533 8.50419 2.43274 -211.46980 704.89897
3370.0000 -218.89950 -211.07455 7.82496 2.43844 -211.35703 697.52581
3375.0000 -218.48252 -212.18903 6.29349 2.43366 -211.45163 681.97570
3380.0000 -219.60839 -212.49031 7.11808 2.39602 -212.19636 663.61249
3385.0000 -221.08401 -213.66839 7.41562 2.37506 -212.61095 647.58110
3390.0000 -220.80335 -213.48298 7.32037 2.32451 -213.61114 631.41496
3395.0000 -219.27987 -211.83842 7.44145 2.33974 -213.30984 625.84207
3400.0000 -217.77843 -209.85154 7.92690 2.47650 -210.60415 713.40609
3405.0000 -218.51835 -210.98313 7.53522 2.45326 -211.06380 693.19895
3410.0000 -219.51036 -212.89938 6.61098 2.40387 -212.04108 647.86856
3415.0000 -218.22608 -211.00411 7.22197 2.39158 -212.28412 665.53175
3420.0000 -219.72147 -212.31438 7.40710 2.43118 -211.50073 693.72511
3425.0000 -219.83346 -211.01335 8.82011 2.40750 -211.96925 665.51931
3430.0000 -218.08858 -210.94193 7.14665 2.44766 -211.17462 693.66615
3435.0000 -217.97230 -209.89035 8.08195 2.47813 -210.57188 715.56692
3440.0000 -219.39331 -211.84401 7.54930 2.48898 -210.35723 729.53223
3445.0000 -220.31119 -212.38713 7.92407 2.38857 -212.34376 650.12059
3450.0000 -221.21784 -214.48405 6.73378 2.30948 -213.90850 616.02223
3455.0000 -221.65974 -213.88704 7.77270 2.29342 -214.22619 591.42932
3460.0000 -219.70999 -212.40003 7.30996 2.37987 -212.51578 674.65513
3465.0000 -219.54955 -211.74823 7.80132 2.40205 -212.07706 679.79161
3470.0000 -220.22188 -210.79455 9.42733 2.45144 -211.09995 719.16675
3475.0000 -219.49132 -211.48233 8.00899 2.45391 -211.05092 693.58035
3480.0000 -220.39364 -212.28745 8.10619 2.42919 -211.54010 684.74360
3485.0000 -220.37493 -214.11172 6.26321 2.37310 -212.64967 654.13745
3490.0000 -219.76107 -212.56465 7.19642 2.34247 -213.25574 622.36351
3495.0000 -220.56079 -213.72362 6.83717 2.35146 -213.07796 647.44409
3500.0000 -218.48581 -210.17464 8.31117 2.39711 -212.17477 662.44814
MELTING PROCESS: loop number 15 T-loop= 698.00000000000000
main_MD> interactions number 15 at Temperature= 698.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.15410 -2.94204 -4.67262
force_rgl> df(natom) 1.73049 -0.55251 3.14987
3505.0000 -217.69066 -210.23282 7.45785 2.45384 -211.05231 686.34879
3510.0000 -218.66248 -211.27489 7.38758 2.47258 -210.68167 692.48863
3515.0000 -218.67495 -210.69627 7.97868 2.49338 -210.27003 700.58817
3520.0000 -219.60081 -210.53352 9.06729 2.47130 -210.70701 688.15924
3525.0000 -217.26611 -208.98424 8.28187 2.51968 -209.74972 745.74240
3530.0000 -218.90429 -210.63342 8.27086 2.50627 -210.01513 726.95734
3535.0000 -218.07893 -209.27065 8.80828 2.48022 -210.53055 700.23160
3540.0000 -216.60549 -208.37286 8.23264 2.56540 -208.84528 760.37523
3545.0000 -218.66425 -210.68959 7.97466 2.50827 -209.97549 733.66483
3550.0000 -218.80843 -209.92244 8.88599 2.49325 -210.27273 708.23278
3555.0000 -218.89230 -210.79076 8.10155 2.50116 -210.11624 723.66980
3560.0000 -218.49592 -211.31472 7.18120 2.43461 -211.43292 666.60966
3565.0000 -219.76239 -211.26351 8.49889 2.44202 -211.28624 679.90532
3570.0000 -219.24474 -211.28057 7.96416 2.46696 -210.79282 701.71050
3575.0000 -218.12329 -210.16826 7.95503 2.47954 -210.54392 724.34279
3580.0000 -219.49753 -211.41203 8.08549 2.45665 -210.99686 697.86075
3585.0000 -218.66826 -211.85394 6.81433 2.45598 -211.01001 716.15579
3590.0000 -219.72316 -212.08053 7.64263 2.39487 -212.21900 650.26559
3595.0000 -219.54910 -212.11165 7.43745 2.40242 -212.06970 651.24531
3600.0000 -221.00267 -213.82375 7.17891 2.35169 -213.07342 639.14903
3605.0000 -218.99856 -213.09986 5.89870 2.35408 -213.02614 623.38432
3610.0000 -219.37419 -211.39692 7.97728 2.39779 -212.16137 637.33916
3615.0000 -219.74901 -211.36282 8.38620 2.45027 -211.12299 694.82754
3620.0000 -218.92518 -212.88909 6.03609 2.42070 -211.70797 699.60093
3625.0000 -219.80417 -212.25840 7.54576 2.37205 -212.67061 649.14641
3630.0000 -218.83294 -211.41470 7.41824 2.38726 -212.36967 647.14737
3635.0000 -220.40803 -211.77305 8.63498 2.44060 -211.31430 705.11260
3640.0000 -218.41319 -210.76477 7.64842 2.46602 -210.81137 703.41190
3645.0000 -219.03270 -210.89522 8.13748 2.48394 -210.45694 721.95940
3650.0000 -217.01303 -209.33745 7.67558 2.50860 -209.96899 719.06306
3655.0000 -218.62173 -209.85072 8.77102 2.53330 -209.48026 753.81384
3660.0000 -219.49336 -212.10234 7.39102 2.43796 -211.36646 686.16108
3665.0000 -218.49274 -210.55177 7.94097 2.44043 -211.31767 680.19534
3670.0000 -219.81069 -211.36910 8.44159 2.46844 -210.76355 700.97380
3675.0000 -219.59582 -211.27284 8.32297 2.42790 -211.56558 676.80931
3680.0000 -218.63993 -210.22384 8.41609 2.45751 -210.97975 668.02195
3685.0000 -217.97882 -209.95653 8.02229 2.49866 -210.16566 688.82685
3690.0000 -218.73923 -209.94594 8.79330 2.52991 -209.54737 741.96517
3695.0000 -217.80337 -210.00907 7.79429 2.53823 -209.38283 752.60273
3700.0000 -219.01346 -211.41700 7.59646 2.44259 -211.27490 703.09610
3705.0000 -217.97363 -210.45432 7.51932 2.46003 -210.92993 707.94196
3710.0000 -219.63948 -212.36529 7.27419 2.44469 -211.23348 684.56031
3715.0000 -219.95171 -212.17476 7.77695 2.37720 -212.56856 664.68379
3720.0000 -219.52695 -211.96503 7.56192 2.43308 -211.46301 714.02165
3725.0000 -218.88923 -210.69497 8.19426 2.45056 -211.11721 724.04018
3730.0000 -219.02629 -210.35928 8.66701 2.47292 -210.67492 711.72503
3735.0000 -219.18610 -211.02841 8.15770 2.49403 -210.25721 705.64009
3740.0000 -219.25424 -212.14705 7.10719 2.43426 -211.43983 666.89376
3745.0000 -218.90603 -210.56418 8.34185 2.48458 -210.44426 702.51086
3750.0000 -218.73357 -210.70128 8.03229 2.48939 -210.34907 725.41472
MELTING PROCESS: loop number 16 T-loop= 723.00000000000000
main_MD> interactions number 16 at Temperature= 723.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.53371 -0.99674 1.10591
force_rgl> df(natom) -1.23942 -6.07284 -3.71974
3755.0000 -218.08624 -210.55095 7.53529 2.47225 -210.68813 720.48992
3760.0000 -217.82206 -210.64005 7.18201 2.45858 -210.95860 685.34182
3765.0000 -218.01799 -210.00858 8.00941 2.47780 -210.57838 705.29822
3770.0000 -219.56733 -211.88567 7.68166 2.44285 -211.26985 690.11914
3775.0000 -219.08100 -210.93592 8.14508 2.47109 -210.71106 722.35757
3780.0000 -219.06749 -211.34375 7.72375 2.48361 -210.46344 711.95205
3785.0000 -218.09262 -209.69300 8.39962 2.50014 -210.13640 726.89256
3790.0000 -217.46907 -208.37627 9.09280 2.57939 -208.56839 763.19541
3795.0000 -216.72962 -208.46591 8.26370 2.59271 -208.30499 776.46614
3800.0000 -217.07429 -209.05538 8.01891 2.53517 -209.44332 732.10460
3805.0000 -217.23876 -208.78093 8.45784 2.54968 -209.15633 745.72980
3810.0000 -218.73510 -211.81846 6.91664 2.46973 -210.73797 703.16596
3815.0000 -217.99225 -209.49023 8.50202 2.45261 -211.07678 698.16954
3820.0000 -219.52280 -210.70745 8.81535 2.53200 -209.50608 724.53554
3825.0000 -218.41625 -209.82069 8.59556 2.48591 -210.41786 724.82993
3830.0000 -219.34004 -208.89345 10.44659 2.52577 -209.62919 736.77775
3835.0000 -218.61608 -210.32091 8.29518 2.51052 -209.93109 727.15761
3840.0000 -218.86685 -211.60479 7.26206 2.47753 -210.58363 720.07900
3845.0000 -219.21864 -212.74676 6.47187 2.40259 -212.06640 661.25298
3850.0000 -219.50346 -210.55942 8.94404 2.43706 -211.38431 687.43815
3855.0000 -217.89777 -209.06275 8.83502 2.53592 -209.42857 760.28924
3860.0000 -218.72570 -208.94347 9.78223 2.53961 -209.35539 744.15689
3865.0000 -217.15353 -208.36534 8.78819 2.59179 -208.32317 790.83778
3870.0000 -217.01103 -208.54583 8.46520 2.52742 -209.59658 747.36686
3875.0000 -217.37340 -208.91408 8.45933 2.57625 -208.63060 772.85117
3880.0000 -217.37683 -208.60252 8.77431 2.56090 -208.93431 754.29206
3885.0000 -216.88611 -207.83965 9.04646 2.61648 -207.83462 772.90811
3890.0000 -216.80468 -208.44768 8.35701 2.59784 -208.20339 788.43648
3895.0000 -218.22016 -208.17764 10.04252 2.58279 -208.50114 782.34069
3900.0000 -218.29589 -207.95952 10.33637 2.62931 -207.58084 813.39474
3905.0000 -219.57838 -210.64478 8.93359 2.53992 -209.34929 759.90740
3910.0000 -217.13303 -209.27143 7.86160 2.50937 -209.95373 701.07726
3915.0000 -218.12133 -211.11032 7.01101 2.50555 -210.02941 716.72385
3920.0000 -219.08222 -210.27610 8.80612 2.50084 -210.12248 718.66442
3925.0000 -218.02045 -210.09948 7.92096 2.48298 -210.47594 716.45030
3930.0000 -216.96105 -208.94702 8.01402 2.52581 -209.62856 722.60027
3935.0000 -218.36845 -209.99828 8.37017 2.51035 -209.93436 701.71964
3940.0000 -216.06390 -207.17168 8.89222 2.55216 -209.10716 766.86161
3945.0000 -216.59925 -208.78007 7.81918 2.63731 -207.42253 814.23496
3950.0000 -218.44241 -210.01417 8.42824 2.52841 -209.57712 734.00419
3955.0000 -219.86868 -211.33890 8.52978 2.50154 -210.10863 699.88395
3960.0000 -218.53419 -210.45514 8.07905 2.44951 -211.13808 672.67821
3965.0000 -218.81347 -211.06679 7.74668 2.50568 -210.02680 726.65838
3970.0000 -218.38352 -209.73059 8.65292 2.49195 -210.29845 726.28135
3975.0000 -218.60417 -210.69287 7.91130 2.50385 -210.06296 734.85141
3980.0000 -217.42494 -209.02330 8.40164 2.51943 -209.75475 731.84646
3985.0000 -218.38146 -209.99688 8.38458 2.54196 -209.30895 772.96227
3990.0000 -217.31674 -210.83786 6.47888 2.48780 -210.38054 712.78371
3995.0000 -218.10744 -209.36551 8.74193 2.48553 -210.42549 709.48269
4000.0000 -217.57125 -209.15964 8.41161 2.53998 -209.34808 747.83064
MELTING PROCESS: loop number 17 T-loop= 748.00000000000000
main_MD> interactions number 17 at Temperature= 748.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.62590 -2.47723 -1.65096
force_rgl> df(natom) -0.43689 -3.70853 0.71131
4005.0000 -219.10714 -210.72961 8.37752 2.50033 -210.13262 719.02448
4010.0000 -218.81222 -211.34407 7.46815 2.45817 -210.96679 689.32171
4015.0000 -219.44378 -211.55845 7.88533 2.45566 -211.01636 696.10228
4020.0000 -218.95722 -210.00619 8.95104 2.45318 -211.06541 702.99353
4025.0000 -218.21068 -209.01643 9.19425 2.54362 -209.27614 753.96316
4030.0000 -216.65770 -208.60343 8.05427 2.53248 -209.49654 707.20178
4035.0000 -218.76343 -210.15081 8.61262 2.53959 -209.35579 731.89709
4040.0000 -218.66866 -209.55537 9.11329 2.53395 -209.46745 742.44428
4045.0000 -216.71640 -207.73266 8.98374 2.59700 -208.21996 795.88035
4050.0000 -218.27355 -209.37128 8.90227 2.59123 -208.33414 786.02837
4055.0000 -217.37873 -209.14466 8.23407 2.55233 -209.10386 759.25106
4060.0000 -218.08605 -209.91639 8.16967 2.54142 -209.31957 741.33775
4065.0000 -217.93677 -209.45937 8.47741 2.48386 -210.45852 722.14974
4070.0000 -219.24167 -211.33179 7.90988 2.47879 -210.55884 704.99437
4075.0000 -218.00613 -209.94721 8.05891 2.46809 -210.77043 697.18206
4080.0000 -219.47031 -210.37921 9.09111 2.49701 -210.19827 737.77779
4085.0000 -218.69603 -210.74859 7.94744 2.45251 -211.07872 693.08015
4090.0000 -218.06503 -209.64923 8.41580 2.50272 -210.08534 710.94668
4095.0000 -217.99791 -209.18146 8.81645 2.48873 -210.36204 691.66485
4100.0000 -219.51724 -210.03119 9.48605 2.53304 -209.48553 739.22335
4105.0000 -216.33478 -207.83698 8.49780 2.56128 -208.92671 738.18438
4110.0000 -216.99485 -208.42081 8.57404 2.59355 -208.28834 751.07380
4115.0000 -218.26269 -209.50801 8.75468 2.57181 -208.71837 750.37694
4120.0000 -219.39953 -210.00266 9.39687 2.49538 -210.23048 737.77564
4125.0000 -217.47598 -208.22943 9.24656 2.54550 -209.23903 734.22296
4130.0000 -218.49001 -209.91144 8.57857 2.52483 -209.64779 766.78085
4135.0000 -218.86504 -210.31834 8.54670 2.52858 -209.57374 735.88698
4140.0000 -217.98602 -210.05589 7.93013 2.46913 -210.74983 691.22568
4145.0000 -218.12278 -210.88042 7.24235 2.48367 -210.46223 692.77063
4150.0000 -217.11039 -208.04614 9.06425 2.55642 -209.02289 739.88625
4155.0000 -217.44182 -209.47481 7.96701 2.61701 -207.82425 781.23017
4160.0000 -219.30308 -211.31858 7.98450 2.49340 -210.26968 707.13384
4165.0000 -219.70534 -211.56215 8.14318 2.41827 -211.75612 692.02704
4170.0000 -216.98080 -208.89272 8.08808 2.47452 -210.64317 706.24771
4175.0000 -219.01548 -210.33791 8.67758 2.50456 -210.04895 717.33344
4180.0000 -217.04227 -209.64231 7.39996 2.48634 -210.40938 722.46445
4185.0000 -216.08730 -207.73235 8.35495 2.58496 -208.45833 770.03517
4190.0000 -217.49287 -207.84806 9.64481 2.60315 -208.09844 766.40260
4195.0000 -218.01539 -210.40159 7.61380 2.57697 -208.61629 775.35371
4200.0000 -216.42246 -207.97573 8.44672 2.52671 -209.61066 726.74303
4205.0000 -217.90167 -208.94326 8.95841 2.56293 -208.89413 755.41734
4210.0000 -217.57393 -208.56694 9.00698 2.54941 -209.16149 738.02579
4215.0000 -217.80214 -209.18819 8.61395 2.59034 -208.35181 791.45820
4220.0000 -219.56474 -210.70480 8.85994 2.45373 -211.05453 705.96885
4225.0000 -218.86658 -210.86666 7.99992 2.48243 -210.48673 732.01394
4230.0000 -218.77265 -211.13313 7.63952 2.47761 -210.58211 708.94849
4235.0000 -218.35043 -210.21847 8.13196 2.52154 -209.71297 751.29207
4240.0000 -219.14514 -210.40310 8.74204 2.46914 -210.74976 704.05810
4245.0000 -218.42627 -210.61181 7.81447 2.51476 -209.84720 710.35331
4250.0000 -218.44040 -211.50733 6.93307 2.45435 -211.04224 693.93088
MELTING PROCESS: loop number 18 T-loop= 773.00000000000000
main_MD> interactions number 18 at Temperature= 773.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.39789 -3.69416 1.11734
force_rgl> df(natom) 0.21563 1.26852 -0.55425
4255.0000 -218.24817 -210.69212 7.55606 2.46237 -210.88353 705.67170
4260.0000 -218.07343 -209.26093 8.81250 2.52776 -209.58989 735.74441
4265.0000 -218.59373 -210.49807 8.09566 2.52243 -209.69535 743.75861
4270.0000 -218.69779 -209.44552 9.25227 2.50408 -210.05833 722.68078
4275.0000 -217.07405 -208.46284 8.61121 2.56660 -208.82158 749.93157
4280.0000 -217.36559 -208.59915 8.76644 2.57873 -208.58155 766.73716
4285.0000 -217.14483 -208.70095 8.44388 2.56163 -208.91977 753.94463
4290.0000 -216.15494 -207.27257 8.88237 2.61775 -207.80960 762.29031
4295.0000 -216.98330 -208.58279 8.40051 2.60312 -208.09905 788.63740
4300.0000 -216.39182 -208.27062 8.12121 2.58441 -208.46906 761.20685
4305.0000 -218.24086 -209.77960 8.46126 2.54500 -209.24888 761.95077
4310.0000 -217.79561 -208.32538 9.47023 2.55887 -208.97435 755.71286
4315.0000 -216.71997 -206.15505 10.56492 2.63601 -207.44826 800.56295
4320.0000 -215.50634 -206.94287 8.56347 2.65994 -206.97475 809.94031
4325.0000 -215.96712 -206.71758 9.24954 2.67103 -206.75548 791.10192
4330.0000 -216.20115 -207.70744 8.49370 2.64037 -207.36200 804.86736
4335.0000 -217.19553 -208.81758 8.37795 2.57794 -208.59704 764.61167
4340.0000 -217.84368 -208.97746 8.86622 2.53593 -209.42831 756.70134
4345.0000 -217.93441 -208.80026 9.13415 2.54508 -209.24730 758.57969
4350.0000 -216.21882 -206.90910 9.30973 2.63173 -207.53285 794.12067
4355.0000 -216.36969 -207.36941 9.00027 2.64741 -207.22275 817.07417
4360.0000 -218.41556 -209.55757 8.85799 2.59825 -208.19527 785.97433
4365.0000 -217.94508 -210.09309 7.85199 2.52193 -209.70535 738.96863
4370.0000 -218.09855 -209.11052 8.98802 2.50950 -209.95127 713.47903
4375.0000 -217.37865 -209.07281 8.30584 2.53315 -209.48328 731.86398
4380.0000 -216.35414 -207.29448 9.05967 2.60492 -208.06338 780.97518
4385.0000 -216.93717 -207.23330 9.70387 2.64816 -207.20796 832.92062
4390.0000 -217.55120 -209.07034 8.48086 2.58195 -208.51774 772.68915
4395.0000 -217.28438 -209.10464 8.17974 2.54582 -209.23255 765.02811
4400.0000 -219.03828 -210.87927 8.15901 2.51515 -209.83936 733.82945
4405.0000 -219.52825 -211.00674 8.52151 2.49304 -210.27686 711.84397
4410.0000 -217.94775 -208.98507 8.96269 2.53287 -209.48878 766.15005
4415.0000 -218.38704 -209.04298 9.34407 2.52801 -209.58487 732.19341
4420.0000 -217.82265 -210.13030 7.69236 2.55827 -208.98636 761.21705
4425.0000 -217.56516 -209.01306 8.55210 2.56519 -208.84945 761.53811
4430.0000 -218.19334 -208.61816 9.57518 2.56280 -208.89665 767.01452
4435.0000 -217.47886 -208.81101 8.66785 2.60235 -208.11425 787.41931
4440.0000 -217.87657 -208.67948 9.19709 2.59014 -208.35586 774.84444
4445.0000 -218.14668 -208.69909 9.44759 2.56371 -208.87873 745.96209
4450.0000 -215.42395 -206.45401 8.96994 2.63277 -207.51243 811.79987
4455.0000 -215.38980 -206.45515 8.93465 2.73082 -205.57245 869.88697
4460.0000 -217.68646 -207.65150 10.03496 2.65679 -207.03714 817.72941
4465.0000 -215.45729 -206.89515 8.56214 2.59192 -208.32048 798.91418
4470.0000 -218.98182 -210.12239 8.85943 2.58352 -208.48672 785.29339
4475.0000 -216.48767 -208.15218 8.33549 2.49926 -210.15378 743.51254
4480.0000 -218.59709 -209.81829 8.77880 2.58325 -208.49217 780.37148
4485.0000 -216.98968 -207.21297 9.77672 2.60381 -208.08533 799.32395
4490.0000 -216.58610 -208.90523 7.68088 2.59674 -208.22513 785.65604
4495.0000 -217.24984 -208.61236 8.63748 2.58555 -208.44660 757.10087
4500.0000 -215.63359 -205.82185 9.81174 2.64851 -207.20103 799.40162
MELTING PROCESS: loop number 19 T-loop= 798.00000000000000
main_MD> interactions number 19 at Temperature= 798.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.64178 1.51450 -3.38672
force_rgl> df(natom) -0.18521 -1.71609 1.63959
4505.0000 -216.40357 -207.17357 9.22999 2.68553 -206.46860 855.89493
4510.0000 -217.33465 -208.32563 9.00902 2.61533 -207.85730 796.88597
4515.0000 -218.14337 -208.97863 9.16474 2.58736 -208.41075 788.95492
4520.0000 -216.55907 -208.02075 8.53831 2.61159 -207.93145 804.48490
4525.0000 -218.34949 -209.19978 9.14971 2.60779 -208.00656 789.95633
4530.0000 -218.44367 -210.04228 8.40138 2.52340 -209.67615 746.78631
4535.0000 -217.01822 -207.53652 9.48170 2.57655 -208.62455 780.25088
4540.0000 -215.73227 -207.83678 7.89549 2.64330 -207.30405 826.34358
4545.0000 -215.68221 -207.73779 7.94441 2.62095 -207.74615 794.54862
4550.0000 -217.31470 -209.51401 7.80070 2.53965 -209.35476 744.29360
4555.0000 -214.22761 -205.29447 8.93314 2.63389 -207.49021 781.58281
4560.0000 -216.29681 -206.70854 9.58826 2.72159 -205.75505 844.19942
4565.0000 -214.37076 -204.16755 10.20321 2.69234 -206.33373 830.75942
4570.0000 -214.45203 -205.15530 9.29673 2.75833 -205.02826 890.76200
4575.0000 -217.32939 -208.10205 9.22735 2.68621 -206.45507 827.34361
4580.0000 -217.47352 -209.21931 8.25421 2.60949 -207.97302 782.13636
4585.0000 -218.12510 -208.02424 10.10087 2.58057 -208.54502 782.70838
4590.0000 -217.38112 -208.51452 8.86660 2.58951 -208.36825 768.61144
4595.0000 -216.10266 -207.52973 8.57294 2.61956 -207.77362 805.52845
4600.0000 -216.48216 -208.44925 8.03291 2.63970 -207.37522 818.09762
4605.0000 -217.05419 -207.09191 9.96228 2.62980 -207.57111 787.85097
4610.0000 -216.53604 -207.44016 9.09588 2.58521 -208.45333 750.71151
4615.0000 -216.64918 -207.15384 9.49534 2.63180 -207.53151 807.40280
4620.0000 -216.02443 -205.92860 10.09584 2.66225 -206.92909 803.27364
4625.0000 -216.99329 -207.11718 9.87610 2.66172 -206.93951 825.15924
4630.0000 -214.97085 -205.36290 9.60795 2.70047 -206.17302 844.71849
4635.0000 -216.44416 -207.31192 9.13224 2.69193 -206.34201 821.41741
4640.0000 -215.80249 -206.21677 9.58571 2.69129 -206.35463 825.21835
4645.0000 -215.32445 -205.66125 9.66320 2.66482 -206.87831 813.94967
4650.0000 -214.52397 -205.42723 9.09674 2.72168 -205.75343 845.19875
4655.0000 -215.82730 -206.26983 9.55747 2.74202 -205.35096 860.99900
4660.0000 -215.08899 -205.27412 9.81487 2.71496 -205.88627 839.50967
4665.0000 -216.19308 -205.99835 10.19473 2.71449 -205.89561 874.55157
4670.0000 -217.49277 -209.70352 7.78925 2.62154 -207.73449 802.00449
4675.0000 -216.85166 -208.18284 8.66881 2.58108 -208.53499 788.79331
4680.0000 -216.53355 -208.11432 8.41923 2.57898 -208.57651 788.59731
4685.0000 -216.24919 -207.68390 8.56529 2.62094 -207.74641 797.76531
4690.0000 -215.46721 -205.78304 9.68418 2.66284 -206.91742 828.13584
4695.0000 -216.20784 -207.31919 8.88865 2.66702 -206.83476 823.16012
4700.0000 -216.53474 -207.82982 8.70492 2.63966 -207.37612 814.13686
4705.0000 -216.40394 -207.72801 8.67592 2.61394 -207.88484 769.04488
4710.0000 -217.31897 -207.03364 10.28533 2.64205 -207.32873 775.77395
4715.0000 -217.53368 -209.22651 8.30717 2.61127 -207.93777 787.00138
4720.0000 -217.79718 -209.44824 8.34894 2.54237 -209.30083 753.95840
4725.0000 -216.89200 -208.36631 8.52569 2.59095 -208.33978 758.11010
4730.0000 -217.44902 -207.58626 9.86277 2.65194 -207.13314 780.12488
4735.0000 -216.98915 -206.97435 10.01480 2.64608 -207.24905 804.00042
4740.0000 -217.83277 -208.37837 9.45440 2.60184 -208.12435 801.78164
4745.0000 -217.83035 -209.83411 7.99624 2.55949 -208.96209 764.44679
4750.0000 -217.89263 -209.68692 8.20572 2.52330 -209.67815 740.82282
MELTING PROCESS: loop number 20 T-loop= 823.00000000000000
main_MD> interactions number 20 at Temperature= 823.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.43991 0.40825 2.78018
force_rgl> df(natom) 0.95251 0.55553 0.52762
4755.0000 -217.48395 -208.17199 9.31196 2.61538 -207.85635 797.49498
4760.0000 -216.50717 -206.31650 10.19067 2.62710 -207.62451 796.38613
4765.0000 -215.34424 -206.07552 9.26872 2.70020 -206.17828 859.91703
4770.0000 -216.33932 -207.16529 9.17404 2.65521 -207.06833 819.18766
4775.0000 -216.50107 -207.98329 8.51778 2.63178 -207.53193 804.90810
4780.0000 -213.38309 -205.09760 8.28549 2.70016 -206.17900 842.62012
4785.0000 -215.35282 -206.42884 8.92398 2.72039 -205.77890 845.77250
4790.0000 -217.03323 -206.90066 10.13257 2.66589 -206.85703 810.62530
4795.0000 -215.65025 -206.27887 9.37138 2.66632 -206.84869 849.48822
4800.0000 -213.95688 -206.94061 7.01627 2.68586 -206.46199 830.23711
4805.0000 -216.67358 -207.56749 9.10609 2.62060 -207.75312 800.96901
4810.0000 -215.98459 -206.06279 9.92180 2.68286 -206.52140 835.87789
4815.0000 -216.10618 -207.07946 9.02672 2.70762 -206.03153 848.30432
4820.0000 -215.07715 -207.00284 8.07430 2.66828 -206.80976 834.72024
4825.0000 -216.42583 -207.16942 9.25641 2.66437 -206.88726 828.75156
4830.0000 -214.99292 -204.50077 10.49215 2.70339 -206.11513 872.44216
4835.0000 -216.03721 -206.81710 9.22011 2.73540 -205.48197 857.30539
4840.0000 -216.39453 -206.99787 9.39666 2.66383 -206.89790 812.79603
4845.0000 -216.31158 -208.47674 7.83483 2.62600 -207.64638 787.55253
4850.0000 -216.48709 -206.90796 9.57913 2.63198 -207.52800 804.95653
4855.0000 -216.50320 -207.88344 8.61976 2.63967 -207.37590 839.98342
4860.0000 -216.73260 -208.66992 8.06268 2.59150 -208.32892 763.90635
4865.0000 -216.85514 -207.33446 9.52067 2.61021 -207.95878 806.54444
4870.0000 -216.64164 -207.76049 8.88115 2.64303 -207.30938 807.42696
4875.0000 -217.15964 -208.71808 8.44156 2.59505 -208.25866 782.99326
4880.0000 -217.48948 -207.57312 9.91635 2.58063 -208.54394 778.97628
4885.0000 -216.76537 -206.24507 10.52030 2.67182 -206.73973 842.71419
4890.0000 -215.04162 -206.21865 8.82297 2.69092 -206.36194 830.62051
4895.0000 -214.99572 -203.87108 11.12464 2.73500 -205.48976 863.57111
4900.0000 -215.22005 -205.11870 10.10135 2.74140 -205.36324 870.10596
4905.0000 -215.47758 -206.36676 9.11082 2.75178 -205.15778 881.56886
4910.0000 -216.03517 -206.44716 9.58801 2.65148 -207.14220 813.63482
4915.0000 -215.94440 -206.34374 9.60066 2.70222 -206.13827 857.62695
4920.0000 -216.42545 -207.31829 9.10716 2.61560 -207.85207 771.64522
4925.0000 -215.64602 -206.90993 8.73609 2.63636 -207.44137 789.78911
4930.0000 -216.12374 -206.13978 9.98396 2.70942 -205.99588 824.28303
4935.0000 -214.22776 -205.05458 9.17318 2.75553 -205.08363 854.38360
4940.0000 -215.27185 -206.80354 8.46831 2.75364 -205.12102 866.25846
4945.0000 -216.61494 -206.14622 10.46872 2.68863 -206.40727 851.36496
4950.0000 -215.82013 -206.15993 9.66020 2.67925 -206.59277 842.99997
4955.0000 -216.62878 -206.83268 9.79611 2.72056 -205.77544 849.87203
4960.0000 -217.35383 -207.17368 10.18016 2.66225 -206.92911 812.33917
4965.0000 -216.08047 -206.93456 9.14591 2.68886 -206.40272 835.17887
4970.0000 -215.52786 -205.82159 9.70627 2.69978 -206.18667 842.83526
4975.0000 -217.33987 -207.93571 9.40416 2.67583 -206.66037 840.64762
4980.0000 -216.02257 -206.83956 9.18300 2.65400 -207.09234 817.07856
4985.0000 -215.46334 -206.88334 8.58000 2.71905 -205.80533 876.38643
4990.0000 -214.52756 -205.99201 8.53555 2.67068 -206.76235 850.54746
4995.0000 -216.07941 -206.30689 9.77252 2.70085 -206.16546 869.99729
5000.0000 -215.90925 -205.21881 10.69044 2.69793 -206.22331 850.43576
MELTING PROCESS: loop number 21 T-loop= 848.00000000000000
main_MD> interactions number 21 at Temperature= 848.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.05315 2.25238 1.09841
force_rgl> df(natom) -1.02465 -1.89395 -2.07260
5005.0000 -216.27712 -208.06532 8.21180 2.68725 -206.43443 848.00861
5010.0000 -215.76610 -206.23794 9.52816 2.65462 -207.08005 820.20832
5015.0000 -216.53567 -207.51805 9.01762 2.64843 -207.20255 793.03124
5020.0000 -217.85338 -208.61916 9.23422 2.59953 -208.16995 797.30876
5025.0000 -218.06617 -209.97301 8.09316 2.53722 -209.40279 747.94545
5030.0000 -214.79265 -207.04751 7.74515 2.57587 -208.63804 761.58033
5035.0000 -216.46712 -207.19442 9.27270 2.69735 -206.23462 846.93931
5040.0000 -215.66083 -205.61219 10.04863 2.69879 -206.20620 854.44328
5045.0000 -216.12393 -207.07332 9.05061 2.65025 -207.16662 801.18852
5050.0000 -215.06322 -206.51349 8.54973 2.64307 -207.30864 805.79249
5055.0000 -213.49541 -204.53393 8.96149 2.73848 -205.42100 850.64288
5060.0000 -216.10050 -205.13358 10.96692 2.76078 -204.97971 866.99304
5065.0000 -213.97201 -205.21961 8.75240 2.75916 -205.01179 865.99750
5070.0000 -213.77807 -203.25138 10.52668 2.76135 -204.96857 885.45109
5075.0000 -213.66720 -203.81046 9.85675 2.84920 -203.23050 946.45055
5080.0000 -215.50527 -206.18723 9.31804 2.73859 -205.41879 843.73465
5085.0000 -215.16927 -206.32716 8.84211 2.68992 -206.38159 842.06097
5090.0000 -215.03605 -204.77179 10.26426 2.71251 -205.93467 838.83522
5095.0000 -217.54123 -207.83304 9.70819 2.66953 -206.78514 812.57174
5100.0000 -214.44617 -204.72120 9.72497 2.71026 -205.97926 844.40417
5105.0000 -215.58643 -207.30628 8.28014 2.69449 -206.29135 825.34039
5110.0000 -213.60418 -205.12959 8.47459 2.68188 -206.54080 810.33978
5115.0000 -215.01170 -205.06972 9.94198 2.73545 -205.48093 849.36409
5120.0000 -212.92467 -204.15960 8.76507 2.81713 -203.86490 921.14743
5125.0000 -215.38987 -206.46525 8.92462 2.75183 -205.15684 865.55407
5130.0000 -217.19713 -205.65355 11.54358 2.64584 -207.25379 784.17083
5135.0000 -216.91471 -206.66053 10.25418 2.65978 -206.97803 833.33772
5140.0000 -216.85970 -208.72066 8.13903 2.61268 -207.90975 779.46267
5145.0000 -217.40296 -207.04881 10.35415 2.60443 -208.07300 790.65304
5150.0000 -218.06804 -207.75739 10.31066 2.66213 -206.93156 815.54230
5155.0000 -216.55138 -207.43779 9.11360 2.66096 -206.95456 820.27111
5160.0000 -216.33196 -208.25077 8.08119 2.60775 -208.00744 780.03935
5165.0000 -215.70578 -206.62839 9.07739 2.65504 -207.07168 833.37975
5170.0000 -215.38736 -206.36766 9.01969 2.64845 -207.20208 835.28591
5175.0000 -215.50705 -205.38561 10.12144 2.66963 -206.78313 823.53967
5180.0000 -216.37334 -205.54967 10.82368 2.73693 -205.45156 855.87016
5185.0000 -216.72438 -207.13450 9.58988 2.68477 -206.48354 829.09870
5190.0000 -216.18586 -207.31288 8.87298 2.62710 -207.62457 798.57965
5195.0000 -215.60861 -205.64440 9.96420 2.70865 -206.01122 850.83810
5200.0000 -214.32419 -204.60598 9.71822 2.76365 -204.92288 898.29612
5205.0000 -214.81935 -204.01149 10.80786 2.77105 -204.77654 889.19425
5210.0000 -214.84559 -205.94132 8.90427 2.76162 -204.96316 871.47930
5215.0000 -214.81264 -204.37618 10.43646 2.75285 -205.13666 863.31112
5220.0000 -215.43435 -207.13711 8.29725 2.73791 -205.43217 876.12334
5225.0000 -215.30164 -205.50969 9.79195 2.69802 -206.22141 851.75110
5230.0000 -213.45042 -204.43456 9.01586 2.75501 -205.09397 859.10197
5235.0000 -215.78091 -206.88533 8.89558 2.70529 -206.07757 852.73667
5240.0000 -217.30625 -206.52287 10.78338 2.64562 -207.25820 813.32088
5245.0000 -215.17624 -207.00724 8.16900 2.65565 -207.05978 811.68380
5250.0000 -215.99835 -206.47365 9.52470 2.67377 -206.70129 815.37322
MELTING PROCESS: loop number 22 T-loop= 873.00000000000000
main_MD> interactions number 22 at Temperature= 873.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94256 2.23224 2.73601
force_rgl> df(natom) -3.27064 -4.27513 -2.69800
5255.0000 -213.57067 -203.19460 10.37606 2.75349 -205.12399 894.46991
5260.0000 -214.45971 -205.14969 9.31001 2.79037 -204.39430 908.62418
5265.0000 -215.91320 -205.30015 10.61305 2.76414 -204.91325 891.30893
5270.0000 -214.63385 -205.11739 9.51645 2.72122 -205.76238 856.25567
5275.0000 -213.76302 -205.10655 8.65648 2.73009 -205.58696 826.48489
5280.0000 -215.09410 -205.03106 10.06305 2.73889 -205.41282 848.80220
5285.0000 -214.11109 -204.93232 9.17877 2.74519 -205.28817 885.26740
5290.0000 -214.40162 -205.14302 9.25859 2.78003 -204.59896 894.51718
5295.0000 -218.28685 -208.86962 9.41722 2.67166 -206.74291 824.57539
5300.0000 -217.50817 -209.92344 7.58474 2.52541 -209.63646 729.29016
5305.0000 -217.60417 -208.72601 8.87816 2.57141 -208.72633 767.86079
5310.0000 -215.64927 -206.61359 9.03568 2.62877 -207.59156 786.81642
5315.0000 -216.83751 -207.56684 9.27067 2.70203 -206.14211 837.22873
5320.0000 -214.17110 -204.85279 9.31831 2.70981 -205.98825 842.34762
5325.0000 -214.66913 -205.47631 9.19281 2.72261 -205.73497 871.10347
5330.0000 -214.57054 -205.11951 9.45103 2.74466 -205.29864 869.18664
5335.0000 -216.56406 -207.18400 9.38006 2.68813 -206.41704 834.51791
5340.0000 -217.04654 -208.01924 9.02730 2.61008 -207.96128 797.92246
5345.0000 -216.13450 -206.01163 10.12287 2.65618 -207.04916 813.35722
5350.0000 -215.67947 -205.73740 9.94206 2.70319 -206.11921 853.46810
5355.0000 -216.19417 -207.79341 8.40076 2.63646 -207.43930 810.74769
5360.0000 -215.95333 -205.11724 10.83608 2.71502 -205.88503 873.65823
5365.0000 -216.62302 -207.54446 9.07856 2.71051 -205.97429 855.42655
5370.0000 -215.57686 -205.56405 10.01281 2.68059 -206.56624 831.67999
5375.0000 -215.97942 -206.70683 9.27259 2.70259 -206.13099 834.58177
5380.0000 -215.75878 -206.25204 9.50674 2.65997 -206.97428 845.87864
5385.0000 -216.51570 -207.56973 8.94597 2.73161 -205.55681 865.95457
5390.0000 -217.55884 -207.30695 10.25189 2.68801 -206.41954 838.83118
5395.0000 -216.59974 -205.79914 10.80060 2.65713 -207.03045 811.51637
5400.0000 -214.95071 -205.60938 9.34133 2.70767 -206.03060 827.06014
5405.0000 -214.98259 -205.85388 9.12871 2.70047 -206.17299 833.59978
5410.0000 -215.62313 -205.28319 10.33994 2.75153 -205.16285 866.72382
5415.0000 -214.50678 -206.31076 8.19602 2.70873 -206.00962 873.29086
5420.0000 -216.25644 -205.80098 10.45545 2.71266 -205.93171 856.75051
5425.0000 -215.56082 -203.63058 11.93024 2.74675 -205.25733 896.67840
5430.0000 -215.27060 -205.47797 9.79263 2.77836 -204.63204 887.41735
5435.0000 -215.68722 -207.41871 8.26851 2.68048 -206.56844 850.18866
5440.0000 -215.03690 -206.39204 8.64486 2.64979 -207.17567 820.54465
5445.0000 -216.26257 -206.44643 9.81614 2.72452 -205.69718 879.35338
5450.0000 -215.03295 -203.90055 11.13239 2.74682 -205.25586 891.54552
5455.0000 -213.36322 -204.47476 8.88846 2.80538 -204.09731 890.81004
5460.0000 -213.65963 -204.23258 9.42705 2.82189 -203.77082 909.52525
5465.0000 -213.95578 -203.69644 10.25934 2.82711 -203.66746 870.44428
5470.0000 -213.38874 -202.63952 10.74922 2.86013 -203.01426 927.72382
5475.0000 -214.19682 -202.84921 11.34761 2.92191 -201.79192 980.42590
5480.0000 -214.21716 -203.85380 10.36336 2.86894 -202.83997 919.17909
5485.0000 -212.88616 -203.68101 9.20515 2.78927 -204.41617 872.41134
5490.0000 -214.52335 -204.11792 10.40543 2.82163 -203.77580 888.96328
5495.0000 -214.76164 -205.33174 9.42990 2.79944 -204.21496 894.40494
5500.0000 -216.40444 -205.36122 11.04322 2.74317 -205.32825 880.89795
MELTING PROCESS: loop number 23 T-loop= 898.00000000000000
main_MD> interactions number 23 at Temperature= 898.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.66842 2.00052 0.78099
force_rgl> df(natom) 3.55117 2.53306 -1.87593
5505.0000 -215.04771 -204.07687 10.97083 2.73259 -205.53743 872.85630
5510.0000 -214.83139 -204.73891 10.09248 2.77820 -204.63512 885.77387
5515.0000 -215.91830 -206.19314 9.72516 2.76914 -204.81439 911.80788
5520.0000 -213.29707 -203.58543 9.71164 2.72652 -205.65760 856.13677
5525.0000 -214.90637 -205.62715 9.27922 2.77908 -204.61771 909.54316
5530.0000 -213.95797 -203.18913 10.76884 2.78315 -204.53713 908.11021
5535.0000 -213.23231 -203.28751 9.94480 2.85632 -203.08956 963.73111
5540.0000 -215.42111 -206.64395 8.77716 2.71870 -205.81230 859.07713
5545.0000 -215.25318 -204.42605 10.82714 2.73203 -205.54856 863.35258
5550.0000 -215.18404 -203.58343 11.60061 2.80219 -204.16052 878.56248
5555.0000 -213.24160 -202.96982 10.27178 2.86750 -202.86835 924.56149
5560.0000 -213.40785 -202.08545 11.32240 2.87695 -202.68141 943.50053
5565.0000 -214.05883 -203.77072 10.28811 2.87048 -202.80933 944.17745
5570.0000 -215.17272 -203.94613 11.22659 2.77013 -204.79480 882.04320
5575.0000 -214.91291 -204.64281 10.27010 2.77096 -204.77828 892.36134
5580.0000 -214.32220 -203.82241 10.49980 2.77256 -204.74663 896.63461
5585.0000 -215.44030 -205.86421 9.57610 2.75353 -205.12325 880.56274
5590.0000 -213.21123 -203.76692 9.44431 2.80046 -204.19468 896.67891
5595.0000 -211.59040 -202.07894 9.51147 2.86373 -202.94296 920.84652
5600.0000 -214.23683 -201.82376 12.41307 2.91708 -201.88738 947.61655
5605.0000 -215.22948 -203.78068 11.44880 2.88917 -202.43960 944.79604
5610.0000 -215.56733 -205.14389 10.42344 2.79525 -204.29770 903.46081
5615.0000 -214.99068 -204.08222 10.90846 2.76670 -204.86261 890.66013
5620.0000 -214.86171 -204.68621 10.17550 2.81851 -203.83761 918.72153
5625.0000 -214.28829 -205.13248 9.15580 2.74465 -205.29886 859.90938
5630.0000 -214.23134 -204.01352 10.21783 2.78613 -204.47830 902.30563
5635.0000 -216.00887 -205.98266 10.02621 2.80148 -204.17454 882.47097
5640.0000 -214.84779 -205.29054 9.55725 2.73972 -205.39649 871.65188
5645.0000 -214.80233 -205.20043 9.60190 2.73877 -205.41527 878.56496
5650.0000 -216.33310 -207.17731 9.15579 2.76371 -204.92188 862.73779
5655.0000 -217.51849 -208.22961 9.28888 2.61320 -207.89959 801.60075
5660.0000 -216.86653 -208.69294 8.17358 2.55838 -208.98415 741.63762
5665.0000 -215.19915 -205.64401 9.55514 2.68217 -206.53506 830.34225
5670.0000 -213.61350 -204.35070 9.26280 2.74492 -205.29363 885.22455
5675.0000 -213.72687 -204.94763 8.77924 2.78409 -204.51868 876.17886
5680.0000 -213.36593 -203.98408 9.38185 2.80196 -204.16497 894.41003
5685.0000 -214.30657 -203.70943 10.59714 2.78547 -204.49121 898.68910
5690.0000 -213.54712 -203.08956 10.45756 2.81761 -203.85546 921.51342
5695.0000 -212.75024 -202.41552 10.33472 2.90070 -202.21149 965.54058
5700.0000 -216.01180 -205.15884 10.85296 2.80513 -204.10238 893.86284
5705.0000 -214.26106 -203.61763 10.64343 2.80832 -204.03912 931.83595
5710.0000 -216.08472 -204.10861 11.97610 2.79449 -204.31283 899.05945
5715.0000 -212.71560 -203.27664 9.43896 2.84701 -203.27380 942.97568
5720.0000 -213.95811 -202.58195 11.37616 2.79246 -204.35296 908.91844
5725.0000 -213.95842 -204.09606 9.86236 2.81276 -203.95144 919.48961
5730.0000 -212.64293 -202.14273 10.50020 2.85739 -203.06838 906.77387
5735.0000 -213.79015 -202.55045 11.23970 2.92718 -201.68774 955.88160
5740.0000 -216.11821 -205.40347 10.71474 2.77660 -204.66681 879.24084
5745.0000 -213.21555 -201.90608 11.30947 2.86296 -202.95828 934.85388
5750.0000 -215.17009 -204.08570 11.08439 2.84827 -203.24882 949.99698
MELTING PROCESS: loop number 24 T-loop= 923.00000000000000
main_MD> interactions number 24 at Temperature= 923.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.58403 -0.78324 -0.24776
force_rgl> df(natom) 3.69353 1.18628 0.13034
5755.0000 -214.94183 -203.37367 11.56816 2.81429 -203.92119 927.51623
5760.0000 -216.31275 -205.29027 11.02248 2.76772 -204.84245 890.28790
5765.0000 -214.33657 -204.90913 9.42745 2.73869 -205.41681 880.40341
5770.0000 -213.69379 -203.36282 10.33097 2.84591 -203.29544 951.55698
5775.0000 -214.41264 -203.69323 10.71941 2.86089 -202.99914 921.57883
5780.0000 -214.84694 -203.87350 10.97344 2.84330 -203.34724 933.90167
5785.0000 -214.19987 -203.39649 10.80337 2.81599 -203.88757 918.31456
5790.0000 -214.87203 -204.49760 10.37443 2.82034 -203.80134 898.13049
5795.0000 -214.08046 -203.91492 10.16554 2.77470 -204.70432 909.00324
5800.0000 -213.01776 -203.25594 9.76182 2.86491 -202.91953 929.66099
5805.0000 -212.87350 -201.48225 11.39125 2.88365 -202.54887 965.68761
5810.0000 -211.76273 -202.47453 9.28820 2.90213 -202.18334 963.43155
5815.0000 -213.52094 -203.67023 9.85071 2.84591 -203.29553 907.02051
5820.0000 -212.90699 -203.94811 8.95888 2.84464 -203.32060 909.21721
5825.0000 -211.47127 -200.04823 11.42303 2.89143 -202.39490 948.87923
5830.0000 -212.44543 -200.43594 12.00948 2.97987 -200.64520 1016.32708
5835.0000 -213.38306 -203.33136 10.05170 2.89344 -202.35525 952.68354
5840.0000 -215.98775 -205.91581 10.07193 2.76330 -204.93000 875.82609
5845.0000 -216.61033 -206.46668 10.14365 2.71204 -205.94405 859.07229
5850.0000 -214.82177 -206.34262 8.47915 2.71943 -205.79784 856.71010
5855.0000 -214.46955 -204.44288 10.02668 2.73878 -205.41507 865.52068
5860.0000 -215.15779 -203.34604 11.81175 2.83806 -203.45087 928.72049
5865.0000 -213.99846 -205.10207 8.89639 2.76035 -204.98820 879.26303
5870.0000 -215.04355 -205.06301 9.98054 2.83129 -203.58485 941.71418
5875.0000 -214.67809 -203.55770 11.12039 2.74440 -205.30381 894.64832
5880.0000 -216.74981 -206.62701 10.12280 2.77667 -204.66545 901.29696
5885.0000 -213.82361 -203.71967 10.10394 2.75546 -205.08498 893.16525
5890.0000 -213.60433 -203.84328 9.76105 2.80094 -204.18521 901.81872
5895.0000 -213.99425 -204.18688 9.80737 2.76941 -204.80907 891.88301
5900.0000 -217.13892 -206.56584 10.57308 2.82299 -203.74908 916.06044
5905.0000 -214.77264 -205.94171 8.83093 2.72838 -205.62081 851.52238
5910.0000 -214.82463 -203.50973 11.31490 2.73807 -205.42904 870.53484
5915.0000 -214.64200 -203.83637 10.80563 2.81826 -203.84254 904.70505
5920.0000 -215.47690 -204.18704 11.28986 2.77005 -204.79639 881.77827
5925.0000 -214.80599 -205.66208 9.14391 2.78914 -204.41872 893.28118
5930.0000 -212.96986 -203.31782 9.65204 2.82193 -203.76996 923.38870
5935.0000 -213.94976 -204.04956 9.90020 2.80031 -204.19773 887.73243
5940.0000 -215.05990 -205.57245 9.48745 2.78167 -204.56641 903.79155
5945.0000 -215.89781 -203.47278 12.42503 2.77558 -204.68704 889.78382
5950.0000 -215.23306 -204.88534 10.34772 2.81018 -204.00240 936.12742
5955.0000 -214.32070 -204.07164 10.24906 2.80754 -204.05467 902.44505
5960.0000 -214.51718 -202.97269 11.54449 2.85220 -203.17099 942.23045
5965.0000 -214.46910 -201.67823 12.79087 2.84910 -203.23232 930.34912
5970.0000 -214.85932 -204.91003 9.94929 2.81892 -203.82946 928.28497
5975.0000 -215.07506 -206.17160 8.90346 2.76226 -204.95055 889.07947
5980.0000 -214.96353 -205.33982 9.62371 2.76711 -204.85460 882.57970
5985.0000 -216.28577 -206.97602 9.30974 2.67132 -206.74958 835.97045
5990.0000 -215.01115 -203.40710 11.60406 2.69708 -206.24011 835.64319
5995.0000 -214.84571 -205.99753 8.84818 2.81383 -203.93029 921.61558
6000.0000 -214.47357 -204.31069 10.16288 2.75006 -205.19176 859.33414
MELTING PROCESS: loop number 25 T-loop= 948.00000000000000
main_MD> interactions number 25 at Temperature= 948.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91756 1.18490 0.17972
force_rgl> df(natom) -3.27393 1.23999 2.23293
6005.0000 -212.04218 -202.07819 9.96399 2.83485 -203.51437 930.50817
6010.0000 -214.96392 -203.50373 11.46019 2.82069 -203.79451 906.65721
6015.0000 -214.24945 -205.03241 9.21704 2.80983 -204.00932 912.67447
6020.0000 -214.91539 -204.65786 10.25753 2.78336 -204.53296 902.50140
6025.0000 -213.26475 -202.59365 10.67110 2.79380 -204.32651 934.43885
6030.0000 -214.77511 -203.19292 11.58219 2.90123 -202.20104 991.49956
6035.0000 -214.97915 -204.15966 10.81949 2.82585 -203.69249 915.51896
6040.0000 -213.31899 -202.94702 10.37197 2.79440 -204.31471 899.93287
6045.0000 -215.04918 -205.06346 9.98572 2.81641 -203.87918 925.80384
6050.0000 -214.56763 -203.80300 10.76463 2.76644 -204.86777 901.01596
6055.0000 -213.53113 -203.29059 10.24054 2.81760 -203.85566 934.70103
6060.0000 -212.51030 -202.13927 10.37102 2.89042 -202.41499 961.22402
6065.0000 -212.76513 -203.11503 9.65010 2.91888 -201.85177 972.84684
6070.0000 -211.99501 -201.64197 10.35305 2.85547 -203.10648 921.77285
6075.0000 -214.73800 -203.06253 11.67548 2.89204 -202.38290 952.87507
6080.0000 -214.68862 -204.17389 10.51473 2.78224 -204.55525 875.65608
6085.0000 -214.16983 -202.47997 11.68986 2.77798 -204.63954 901.46066
6090.0000 -213.72494 -202.44536 11.27959 2.90084 -202.20886 978.99363
6095.0000 -215.17620 -204.62808 10.54811 2.83749 -203.46204 933.31614
6100.0000 -213.96405 -203.07333 10.89072 2.84200 -203.37285 918.61737
6105.0000 -212.99199 -202.82581 10.16619 2.85199 -203.17516 948.75572
6110.0000 -211.79757 -201.69700 10.10057 2.90343 -202.15746 969.02708
6115.0000 -214.27517 -202.41321 11.86196 2.90307 -202.16463 978.82677
6120.0000 -211.66511 -202.31697 9.34815 2.86440 -202.92968 938.49973
6125.0000 -213.75162 -203.16038 10.59124 2.93019 -201.62800 982.97096
6130.0000 -214.20219 -203.24837 10.95382 2.90022 -202.22107 975.59060
6135.0000 -214.57357 -203.50893 11.06463 2.83136 -203.58334 895.51188
6140.0000 -212.85474 -202.30831 10.54643 2.79651 -204.27278 881.42556
6145.0000 -213.02141 -203.10449 9.91692 2.84134 -203.38593 908.24551
6150.0000 -214.23310 -202.93276 11.30034 2.83867 -203.43886 919.03146
6155.0000 -214.13203 -203.14435 10.98768 2.88828 -202.45719 963.66205
6160.0000 -215.19794 -205.39737 9.80056 2.79754 -204.25245 901.45624
6165.0000 -215.69337 -205.59255 10.10082 2.78361 -204.52802 906.75606
6170.0000 -213.70437 -202.37031 11.33407 2.84465 -203.32052 949.05932
6175.0000 -214.76199 -203.94085 10.82113 2.83017 -203.60702 934.90707
6180.0000 -214.97823 -203.51503 11.46320 2.82187 -203.77104 932.14476
6185.0000 -214.09340 -202.90806 11.18535 2.79489 -204.30486 921.80540
6190.0000 -215.29934 -204.37068 10.92866 2.80782 -204.04911 923.23090
6195.0000 -214.77340 -203.13691 11.63649 2.76519 -204.89245 906.43433
6200.0000 -212.83324 -202.14214 10.69109 2.92090 -201.81181 1013.31826
6205.0000 -213.39500 -202.51965 10.87535 2.89577 -202.30914 963.13801
6210.0000 -213.53013 -202.54040 10.98972 2.88119 -202.59759 966.62669
6215.0000 -212.68942 -201.53849 11.15093 2.94378 -201.35920 992.14950
6220.0000 -212.51477 -200.53062 11.98416 3.00010 -200.24498 1044.33004
6225.0000 -212.86128 -202.08868 10.77260 2.92316 -201.76714 992.93350
6230.0000 -213.64196 -204.11407 9.52789 2.82943 -203.62150 917.65385
6235.0000 -212.78707 -202.79922 9.98785 2.86345 -202.94851 914.02550
6240.0000 -212.21469 -201.15307 11.06161 2.87299 -202.75971 938.57266
6245.0000 -214.41889 -202.75552 11.66336 2.94597 -201.31585 995.02009
6250.0000 -213.77140 -203.37515 10.39625 2.83295 -203.55189 916.08581
MELTING PROCESS: loop number 26 T-loop= 973.00000000000000
main_MD> interactions number 26 at Temperature= 973.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57640 -0.30620 0.32870
force_rgl> df(natom) 0.05620 -1.52494 -1.30545
6255.0000 -212.94457 -198.94418 14.00039 2.95517 -201.13379 1013.66358
6260.0000 -212.73676 -201.37628 11.36048 2.99354 -200.37485 1020.21855
6265.0000 -209.28516 -197.40212 11.88304 3.06376 -198.98554 1057.94240
6270.0000 -214.33051 -202.94227 11.38824 2.99036 -200.43759 1030.58416
6275.0000 -212.19765 -200.52027 11.67737 2.88253 -202.57110 969.18054
6280.0000 -213.25403 -202.66812 10.58591 2.88959 -202.43137 960.31929
6285.0000 -215.16566 -202.59033 12.57534 2.85356 -203.14413 951.99429
6290.0000 -214.82273 -204.23651 10.58623 2.87594 -202.70135 926.40453
6295.0000 -211.35015 -200.22228 11.12787 2.90090 -202.20757 970.50345
6300.0000 -211.79057 -198.35356 13.43701 3.01547 -199.94080 1042.94629
6305.0000 -210.49946 -196.32430 14.17516 3.16515 -196.97955 1120.72491
6310.0000 -210.06453 -199.13234 10.93219 3.10923 -198.08592 1112.15693
6315.0000 -211.16342 -198.60226 12.56117 3.04114 -199.43311 1014.86263
6320.0000 -213.66018 -203.14913 10.51105 2.94587 -201.31796 1002.38490
6325.0000 -213.97736 -201.00283 12.97453 2.88427 -202.53669 944.27860
6330.0000 -214.01009 -201.24403 12.76605 2.98532 -200.53743 1025.54463
6335.0000 -213.68332 -202.88910 10.79421 2.86181 -202.98100 940.98039
6340.0000 -213.21000 -202.31436 10.89565 2.87890 -202.64290 983.38808
6345.0000 -213.63219 -203.23181 10.40038 2.85231 -203.16900 930.30939
6350.0000 -214.11814 -203.26304 10.85510 2.89386 -202.34693 963.25290
6355.0000 -213.77434 -202.51507 11.25927 2.86221 -202.97298 924.76058
6360.0000 -214.31077 -202.63410 11.67667 2.89434 -202.33729 969.11727
6365.0000 -214.12325 -202.48655 11.63670 2.86139 -202.98934 971.96982
6370.0000 -213.58206 -203.11738 10.46468 2.87070 -202.80508 942.64568
6375.0000 -212.52614 -201.53812 10.98802 2.89734 -202.27798 981.13203
6380.0000 -214.81423 -203.98922 10.82502 2.83175 -203.57557 931.82890
6385.0000 -214.57622 -204.08882 10.48740 2.81729 -203.86170 878.76022
6390.0000 -213.40864 -201.93308 11.47556 2.85837 -203.04899 925.44525
6395.0000 -214.24241 -203.93516 10.30725 2.87763 -202.66796 973.92068
6400.0000 -215.04951 -204.48305 10.56646 2.81495 -203.90809 909.25817
6405.0000 -211.72069 -201.64828 10.07241 2.86431 -202.93149 932.59729
6410.0000 -213.07557 -201.89032 11.18526 2.92371 -201.75625 998.63532
6415.0000 -212.46373 -200.21363 12.25010 2.93166 -201.59897 1012.92097
6420.0000 -211.34203 -200.66002 10.68201 2.93402 -201.55232 1002.91539
6425.0000 -212.54980 -201.32384 11.22596 2.90021 -202.22123 948.39410
6430.0000 -214.52900 -203.01550 11.51350 2.91088 -202.01018 946.79721
6435.0000 -213.69934 -203.41485 10.28449 2.81068 -203.99247 916.93869
6440.0000 -214.95694 -205.12580 9.83114 2.80978 -204.01030 941.56399
6445.0000 -213.05442 -201.87380 11.18062 2.87745 -202.67162 982.72760
6450.0000 -213.80487 -202.00794 11.79693 2.92561 -201.71878 989.06564
6455.0000 -212.09541 -201.68995 10.40547 2.94439 -201.34718 999.00290
6460.0000 -213.25624 -203.00117 10.25507 2.87816 -202.65745 962.10974
6465.0000 -212.94237 -201.04790 11.89447 2.91171 -201.99367 937.62884
6470.0000 -213.37074 -201.53907 11.83167 2.98771 -200.49010 1040.42024
6475.0000 -214.12489 -205.06161 9.06329 2.82698 -203.66995 902.45174
6480.0000 -214.86126 -202.92518 11.93608 2.79775 -204.24829 916.26829
6485.0000 -215.31406 -204.15669 11.15737 2.84676 -203.27876 929.89696
6490.0000 -213.18608 -202.86545 10.32063 2.87531 -202.71379 961.51389
6495.0000 -212.68798 -202.21470 10.47328 2.92006 -201.82846 963.90090
6500.0000 -212.94611 -201.90737 11.03874 2.90413 -202.14363 957.28432
MELTING PROCESS: loop number 27 T-loop= 998.00000000000000
main_MD> interactions number 27 at Temperature= 998.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.75426 -1.30256 -3.91211
force_rgl> df(natom) 0.26566 0.99510 -2.16158
6505.0000 -212.94510 -200.94650 11.99859 2.94919 -201.25228 994.38083
6510.0000 -213.54464 -203.04489 10.49975 2.93225 -201.58726 990.14212
6515.0000 -212.59760 -201.12833 11.46927 2.93759 -201.48163 988.74001
6520.0000 -209.97501 -198.05500 11.92001 3.03749 -199.50516 1048.70797
6525.0000 -212.64137 -199.92967 12.71170 3.10527 -198.16416 1077.25295
6530.0000 -213.59434 -202.16705 11.42729 2.98646 -200.51489 1027.62040
6535.0000 -213.56472 -200.47256 13.09216 2.93406 -201.55160 985.71620
6540.0000 -212.38678 -201.48159 10.90519 3.02064 -199.83853 1058.59274
6545.0000 -211.22535 -200.99272 10.23263 2.95346 -201.16775 999.79190
6550.0000 -214.00740 -202.93083 11.07657 2.89351 -202.35380 980.23745
6555.0000 -210.99955 -199.62090 11.37866 2.90869 -202.05346 996.70303
6560.0000 -210.51733 -198.74451 11.77281 3.02879 -199.67742 1053.88693
6565.0000 -209.22108 -196.10272 13.11836 3.10608 -198.14817 1103.94058
6570.0000 -209.72686 -198.27974 11.44713 3.14013 -197.47456 1108.77461
6575.0000 -212.33472 -201.29735 11.03737 3.00614 -200.12540 996.18153
6580.0000 -212.72884 -201.37690 11.35195 2.92546 -201.72162 978.60267
6585.0000 -214.12958 -202.47759 11.65198 2.89220 -202.37976 952.02604
6590.0000 -212.56753 -202.05420 10.51333 2.92254 -201.77937 974.16910
6595.0000 -210.24873 -199.07023 11.17849 2.99353 -200.37503 1038.60818
6600.0000 -211.89407 -199.83653 12.05754 3.05263 -199.20573 1043.91140
6605.0000 -211.98292 -200.70640 11.27652 2.97826 -200.67705 1025.13450
6610.0000 -213.21439 -201.42965 11.78474 2.94998 -201.23648 1012.21107
6615.0000 -212.83521 -201.66723 11.16798 2.92013 -201.82722 979.84189
6620.0000 -212.89147 -201.47248 11.41899 2.90871 -202.05311 971.17491
6625.0000 -213.21641 -200.81271 12.40371 2.93362 -201.56029 984.40081
6630.0000 -212.18349 -202.50800 9.67548 2.95337 -201.16958 998.65108
6635.0000 -213.66307 -204.72115 8.94192 2.83094 -203.59173 928.57612
6640.0000 -212.18629 -202.44850 9.73779 2.86253 -202.96662 932.36102
6645.0000 -213.06995 -201.74553 11.32442 2.91543 -201.92019 972.72971
6650.0000 -215.47619 -203.21457 12.26163 2.90311 -202.16394 960.50500
6655.0000 -213.10044 -202.67559 10.42485 2.86817 -202.85513 935.82910
6660.0000 -213.45238 -203.02262 10.42977 2.90393 -202.14757 952.78862
6665.0000 -213.95524 -202.33360 11.62164 2.87049 -202.80916 960.56486
6670.0000 -212.10961 -201.55805 10.55156 3.01893 -199.87238 1055.11395
6675.0000 -213.23607 -203.62879 9.60728 2.86439 -202.92996 946.22021
6680.0000 -214.37510 -203.46176 10.91335 2.87038 -202.81142 940.48437
6685.0000 -215.01518 -202.58966 12.42552 2.89079 -202.40758 977.81388
6690.0000 -213.78016 -202.64241 11.13775 2.86070 -203.00284 960.46132
6695.0000 -213.69801 -202.10032 11.59769 2.91227 -201.98268 988.77335
6700.0000 -209.84654 -197.81812 12.02842 2.99103 -200.42441 1001.71671
6705.0000 -210.39876 -198.87033 11.52844 3.05697 -199.11985 1064.32859
6710.0000 -213.73625 -200.89842 12.83783 2.99450 -200.35581 1028.30564
6715.0000 -212.04762 -201.79926 10.24836 2.95806 -201.07667 988.74952
6720.0000 -214.52860 -202.36482 12.16378 2.89520 -202.32029 970.37904
6725.0000 -210.16771 -199.17364 10.99407 2.93398 -201.55315 975.84282
6730.0000 -213.09560 -200.95449 12.14111 3.04923 -199.27293 1050.06724
6735.0000 -212.67054 -202.44271 10.22783 2.93257 -201.58110 984.66630
6740.0000 -213.11115 -201.32772 11.78343 2.98642 -200.51568 1021.56003
6745.0000 -211.42475 -201.16868 10.25607 2.95243 -201.18803 1008.77943
6750.0000 -212.77401 -202.26030 10.51371 2.97134 -200.81401 1006.74780
MELTING PROCESS: loop number 28 T-loop= 1023.0000000000000
main_MD> interactions number 28 at Temperature= 1023.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.61214 1.28901 -1.24993
force_rgl> df(natom) 0.55006 -3.53474 1.22936
6755.0000 -213.10080 -202.08401 11.01679 2.94580 -201.31923 1010.23346
6760.0000 -212.98881 -199.43918 13.54963 2.99806 -200.28531 1058.65416
6765.0000 -212.66934 -201.22925 11.44009 2.99122 -200.42064 1007.48621
6770.0000 -213.53607 -203.01863 10.51744 2.87307 -202.75819 934.82879
6775.0000 -213.58704 -201.91368 11.67336 2.91358 -201.95678 1006.64160
6780.0000 -214.98600 -202.02788 12.95812 2.92115 -201.80686 972.06839
6785.0000 -212.32524 -200.73609 11.58916 2.98716 -200.50098 1031.00980
6790.0000 -214.08269 -204.32052 9.76217 2.84506 -203.31238 917.44808
6795.0000 -214.28525 -202.49149 11.79376 2.86898 -202.83906 908.95441
6800.0000 -211.26252 -200.03777 11.22475 2.99468 -200.35212 1022.10511
6805.0000 -211.91402 -198.93737 12.97666 3.00567 -200.13485 1054.43662
6810.0000 -212.99908 -201.32553 11.67355 3.01554 -199.93949 1035.34579
6815.0000 -212.97225 -203.01644 9.95580 2.87352 -202.74927 949.67279
6820.0000 -211.64532 -200.79817 10.84715 2.93408 -201.55118 999.17802
6825.0000 -211.58919 -200.32340 11.26579 2.97726 -200.69690 997.93747
6830.0000 -212.13700 -201.03512 11.10188 2.99770 -200.29252 1030.18890
6835.0000 -212.67235 -201.36590 11.30645 2.98920 -200.46064 1031.51865
6840.0000 -211.66748 -200.20907 11.45841 2.90847 -202.05775 963.08191
6845.0000 -210.24317 -198.78849 11.45468 3.03750 -199.50496 1049.72362
6850.0000 -211.63468 -200.23487 11.39981 3.02699 -199.71289 1039.15563
6855.0000 -211.08752 -198.30046 12.78706 3.05154 -199.22720 1057.11459
6860.0000 -212.48914 -199.23077 13.25837 3.11283 -198.01475 1113.77274
6865.0000 -209.26983 -198.10485 11.16498 2.99151 -200.41496 1050.66341
6870.0000 -211.93581 -201.51534 10.42047 2.99419 -200.36185 1042.52465
6875.0000 -213.74711 -201.55388 12.19324 2.91380 -201.95235 957.61490
6880.0000 -211.73124 -200.14849 11.58275 2.95307 -201.17541 1006.44679
6885.0000 -212.55572 -201.03241 11.52331 2.95850 -201.06801 992.06092
6890.0000 -209.63613 -196.91472 12.72141 3.10535 -198.16266 1079.93474
6895.0000 -210.15756 -199.76256 10.39500 3.06972 -198.86765 1035.29996
6900.0000 -211.53058 -198.49693 13.03365 3.04649 -199.32727 1041.53883
6905.0000 -208.62382 -196.77643 11.84739 3.12408 -197.79211 1099.45215
6910.0000 -212.01775 -200.02959 11.98816 3.12446 -197.78456 1100.98319
6915.0000 -210.87686 -199.73049 11.14637 3.01278 -199.99401 1068.22570
6920.0000 -212.22614 -199.49359 12.73256 3.02533 -199.74578 1026.25925
6925.0000 -211.91600 -198.20960 13.70640 3.09448 -198.37771 1096.71131
6930.0000 -212.02423 -200.11400 11.91023 3.05053 -199.24727 1067.00567
6935.0000 -209.51848 -197.92457 11.59392 3.09147 -198.43723 1092.76194
6940.0000 -211.79764 -199.40023 12.39741 3.07434 -198.77625 1074.52180
6945.0000 -211.13520 -200.37359 10.76161 3.03395 -199.57520 1037.01956
6950.0000 -213.43131 -202.61315 10.81816 2.89810 -202.26289 933.10459
6955.0000 -211.22547 -199.71535 11.51013 2.97479 -200.74565 980.31416
6960.0000 -211.25912 -199.57895 11.68017 2.97511 -200.73940 1011.03476
6965.0000 -212.96070 -200.48253 12.47818 3.00015 -200.24399 994.02457
6970.0000 -214.07105 -203.45737 10.61368 2.95770 -201.08376 1014.58522
6975.0000 -214.08988 -202.85956 11.23033 2.87908 -202.63922 971.65258
6980.0000 -213.08627 -200.56762 12.51865 2.92033 -201.82319 966.03594
6985.0000 -212.42218 -201.77087 10.65131 2.97476 -200.74623 1019.73156
6990.0000 -211.25877 -197.89249 13.36627 3.04192 -199.41751 1046.34113
6995.0000 -211.60339 -199.33876 12.26463 3.08661 -198.53351 1084.37806
7000.0000 -211.82360 -200.49700 11.32660 2.96268 -200.98529 1008.22361
MELTING PROCESS: loop number 29 T-loop= 1048.0000000000000
main_MD> interactions number 29 at Temperature= 1048.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.00928 -0.95538 -0.82357
force_rgl> df(natom) 0.72572 -1.36017 2.56734
7005.0000 -210.89169 -200.08882 10.80287 2.99495 -200.34689 1006.25053
7010.0000 -209.90849 -197.19809 12.71040 3.08226 -198.61950 1058.59621
7015.0000 -211.25551 -198.76806 12.48745 3.11142 -198.04256 1112.73591
7020.0000 -211.80905 -201.30879 10.50027 3.02278 -199.79632 1050.05080
7025.0000 -212.50179 -201.77100 10.73079 2.97174 -200.80614 1005.91626
7030.0000 -213.41663 -200.42229 12.99434 2.98490 -200.54569 1007.93875
7035.0000 -212.59429 -200.01361 12.58068 3.03655 -199.52373 1031.85024
7040.0000 -211.56957 -199.66558 11.90399 3.00507 -200.14665 1036.61440
7045.0000 -210.99892 -199.37578 11.62314 3.01703 -199.91000 1043.57936
7050.0000 -211.11357 -198.13823 12.97534 3.11184 -198.03427 1100.02426
7055.0000 -208.03199 -195.98363 12.04835 3.17384 -196.80758 1145.15966
7060.0000 -213.03583 -201.15792 11.87791 3.01592 -199.93201 1053.00734
7065.0000 -212.02146 -200.55519 11.46626 2.95684 -201.10092 1019.67948
7070.0000 -211.24616 -200.35012 10.89603 3.02229 -199.80592 1042.84371
7075.0000 -212.84116 -201.91486 10.92630 2.99855 -200.27555 1035.61725
7080.0000 -212.15892 -201.51355 10.64538 2.91493 -201.93010 968.97184
7085.0000 -211.74657 -201.15452 10.59205 2.96001 -201.03810 1000.47407
7090.0000 -213.57759 -200.65765 12.91994 2.97931 -200.65638 1031.26028
7095.0000 -213.57399 -200.84668 12.72731 2.96023 -201.03375 1016.67613
7100.0000 -211.86425 -201.35179 10.51245 2.95414 -201.15435 966.70841
7105.0000 -211.11962 -200.65716 10.46246 2.99253 -200.39484 999.04974
7110.0000 -211.60768 -198.60868 12.99901 3.03428 -199.56874 1067.53150
7115.0000 -210.97312 -198.82985 12.14327 3.05191 -199.22000 1062.08952
7120.0000 -214.84157 -200.73831 14.10327 3.04091 -199.43767 1053.86409
7125.0000 -212.65187 -201.35469 11.29718 2.93739 -201.48556 985.20721
7130.0000 -212.39252 -199.74701 12.64551 3.04521 -199.35247 1039.64731
7135.0000 -210.86972 -198.55434 12.31538 3.01781 -199.89466 1052.93905
7140.0000 -210.41442 -198.86255 11.55186 3.05188 -199.22045 1070.92764
7145.0000 -213.01787 -200.56924 12.44862 3.01932 -199.86472 1028.81217
7150.0000 -212.56709 -198.23325 14.33384 3.03711 -199.51277 1056.56375
7155.0000 -209.77368 -197.49584 12.27784 3.10034 -198.26178 1095.63936
7160.0000 -209.77561 -196.05181 13.72380 3.20170 -196.25647 1164.78508
7165.0000 -210.30151 -197.25252 13.04899 3.19343 -196.41999 1159.02510
7170.0000 -211.55047 -199.99320 11.55727 3.10268 -198.21559 1109.51777
7175.0000 -211.55777 -199.80597 11.75179 3.01318 -199.98612 1035.07973
7180.0000 -211.29276 -199.52697 11.76579 3.04321 -199.39210 1047.72342
7185.0000 -212.16876 -201.75527 10.41349 2.98788 -200.48675 998.96501
7190.0000 -212.42158 -201.98406 10.43752 2.86933 -202.83213 924.26302
7195.0000 -213.44524 -201.69189 11.75336 2.88564 -202.50956 935.96090
7200.0000 -212.71698 -200.79056 11.92642 2.92919 -201.64785 986.68229
7205.0000 -210.96646 -199.00145 11.96501 2.99511 -200.34375 1025.37042
7210.0000 -214.14368 -201.88387 12.25981 2.96748 -200.89042 1009.73815
7215.0000 -213.48513 -202.42692 11.05821 2.95645 -201.10852 1024.03661
7220.0000 -210.80389 -198.00993 12.79397 3.00900 -200.06882 1027.87935
7225.0000 -212.21813 -201.65346 10.56467 2.98480 -200.54759 1017.20633
7230.0000 -212.17425 -200.84362 11.33063 2.94549 -201.32545 991.02365
7235.0000 -212.28654 -199.73025 12.55629 2.98932 -200.45825 1015.37200
7240.0000 -211.65976 -201.35664 10.30312 3.00513 -200.14550 1033.16966
7245.0000 -212.52736 -202.37379 10.15357 2.90933 -202.04084 970.91906
7250.0000 -214.06887 -201.32906 12.73981 2.90429 -202.14048 981.14186
MELTING PROCESS: loop number 30 T-loop= 1073.0000000000000
main_MD> interactions number 30 at Temperature= 1073.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08513 -3.83801 2.08050
force_rgl> df(natom) -9.31608 -4.27315 -0.62318
7255.0000 -214.39787 -201.89635 12.50152 2.92244 -201.78134 981.69615
7260.0000 -210.22208 -199.72784 10.49424 2.96666 -200.90654 1026.75928
7265.0000 -211.37126 -200.24711 11.12415 3.00455 -200.15697 1040.32667
7270.0000 -213.15712 -201.33103 11.82609 2.98802 -200.48401 1025.42344
7275.0000 -212.94069 -201.58020 11.36049 2.94244 -201.38568 1010.11391
7280.0000 -212.44364 -200.49145 11.95220 2.99965 -200.25392 1050.82557
7285.0000 -212.44323 -197.95456 14.48867 3.06377 -198.98537 1111.74282
7290.0000 -211.38609 -199.73531 11.65079 2.96848 -200.87058 990.58107
7295.0000 -211.42166 -200.24291 11.17875 3.06007 -199.05860 1077.67361
7300.0000 -211.10204 -199.91865 11.18339 3.02684 -199.71588 1040.87437
7305.0000 -211.48940 -199.12453 12.36487 3.02037 -199.84391 1048.30107
7310.0000 -210.08372 -198.98319 11.10053 3.06369 -198.98690 1054.26210
7315.0000 -210.82323 -198.43738 12.38585 3.05069 -199.24408 1070.57185
7320.0000 -213.45604 -200.37525 13.08080 2.99848 -200.27702 1033.98140
7325.0000 -211.20110 -199.35192 11.84918 3.02857 -199.68168 1064.09752
7330.0000 -211.08180 -198.02214 13.05967 3.08507 -198.56390 1087.18750
7335.0000 -213.28994 -199.68995 13.60000 3.07297 -198.80328 1065.10983
7340.0000 -212.72446 -201.32037 11.40409 2.99377 -200.37026 1007.32632
7345.0000 -212.20491 -199.81641 12.38849 3.06561 -198.94885 1081.74925
7350.0000 -215.24343 -203.56017 11.68325 2.94093 -201.41565 998.83948
7355.0000 -213.63809 -200.89444 12.74366 2.93630 -201.50725 1003.24523
7360.0000 -212.85474 -200.53965 12.31509 2.97778 -200.68664 1068.46706
7365.0000 -211.85346 -200.02955 11.82391 2.97850 -200.67236 1051.21996
7370.0000 -213.59589 -202.41418 11.18172 2.96190 -201.00081 1018.32215
7375.0000 -212.39383 -202.24372 10.15011 2.96085 -201.02142 998.33454
7380.0000 -213.28819 -200.94756 12.34063 2.96048 -201.02874 1037.98089
7385.0000 -213.68182 -201.52914 12.15268 2.89408 -202.34248 967.94543
7390.0000 -213.37296 -201.48070 11.89225 2.94035 -201.42709 1011.91000
7395.0000 -209.49721 -197.16649 12.33072 3.03406 -199.57304 1038.39288
7400.0000 -209.40312 -196.05243 13.35069 3.13111 -197.65295 1139.49652
7405.0000 -206.68310 -194.25806 12.42504 3.27028 -194.89971 1193.73022
7410.0000 -209.72669 -198.32003 11.40666 3.18888 -196.51008 1131.65820
7415.0000 -210.64752 -199.02309 11.62443 3.13705 -197.53548 1136.41715
7420.0000 -210.77582 -199.62037 11.15545 3.07640 -198.73549 1070.14423
7425.0000 -211.23638 -199.97779 11.25860 3.04122 -199.43152 1042.09136
7430.0000 -211.86319 -198.30362 13.55957 3.06923 -198.87734 1067.20820
7435.0000 -209.51284 -195.81611 13.69672 3.13667 -197.54294 1133.50744
7440.0000 -208.94870 -195.64442 13.30428 3.23655 -195.56697 1184.24740
7445.0000 -210.53386 -198.31661 12.21724 3.19245 -196.43953 1163.16422
7450.0000 -211.65844 -198.29756 13.36089 3.13109 -197.65352 1128.78071
7455.0000 -209.24724 -197.62611 11.62113 3.13916 -197.49372 1094.47682
7460.0000 -210.93530 -199.55618 11.37911 3.08820 -198.50206 1091.09796
7465.0000 -210.59687 -198.59199 12.00488 2.98148 -200.61330 1043.02340
7470.0000 -211.17296 -198.95589 12.21707 3.01761 -199.89846 1034.87127
7475.0000 -211.98837 -199.51740 12.47097 3.02694 -199.71387 1043.55115
7480.0000 -211.81493 -199.72330 12.09162 3.03592 -199.53635 1058.07926
7485.0000 -211.78024 -198.99429 12.78595 3.05104 -199.23714 1065.58295
7490.0000 -212.40773 -201.03280 11.37494 3.03508 -199.55293 1043.14263
7495.0000 -210.99726 -199.88519 11.11207 3.00691 -200.11018 1061.62762
7500.0000 -210.66428 -198.84856 11.81572 3.05278 -199.20278 1062.78627
MELTING PROCESS: loop number 31 T-loop= 1098.0000000000000
main_MD> interactions number 31 at Temperature= 1098.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00810 -6.17568 2.52160
force_rgl> df(natom) 0.17706 -0.10911 0.73401
7505.0000 -209.39227 -198.45114 10.94113 3.06880 -198.88575 1061.16591
7510.0000 -211.81262 -200.71291 11.09971 3.00548 -200.13846 1015.08173
7515.0000 -211.96637 -201.32079 10.64558 3.00096 -200.22793 1028.83299
7520.0000 -210.55819 -197.22050 13.33769 3.05514 -199.15606 1054.94015
7525.0000 -209.38907 -195.55009 13.83898 3.23555 -195.58678 1154.83712
7530.0000 -208.02351 -197.24603 10.77748 3.19569 -196.37541 1105.24078
7535.0000 -208.80530 -197.72191 11.08339 3.11114 -198.04817 1094.38219
7540.0000 -210.26916 -198.24062 12.02854 3.12203 -197.83266 1118.80969
7545.0000 -209.87465 -198.45722 11.41743 3.08384 -198.58823 1089.38687
7550.0000 -210.48479 -196.43405 14.05074 3.06825 -198.89673 1075.11697
7555.0000 -208.14491 -195.62310 12.52181 3.17281 -196.82798 1150.41008
7560.0000 -208.10268 -195.90030 12.20238 3.21779 -195.93818 1164.16061
7565.0000 -209.51102 -196.55086 12.96017 3.25512 -195.19963 1168.57503
7570.0000 -211.25676 -198.81774 12.43902 3.09627 -198.34240 1074.32279
7575.0000 -211.65554 -198.04511 13.61042 3.05471 -199.16450 1069.69545
7580.0000 -212.77848 -200.66299 12.11549 3.03715 -199.51199 1083.09553
7585.0000 -209.41485 -197.82219 11.59266 3.07940 -198.67605 1086.49943
7590.0000 -208.57030 -195.29759 13.27271 3.12088 -197.85550 1089.69886
7595.0000 -210.64953 -196.73039 13.91914 3.26910 -194.92294 1186.03483
7600.0000 -209.64998 -197.90032 11.74966 3.24150 -195.46901 1141.42560
7605.0000 -212.41188 -199.43917 12.97271 3.10102 -198.24843 1104.77776
7610.0000 -208.31364 -196.76032 11.55331 3.07714 -198.72071 1101.10062
7615.0000 -210.82944 -196.61687 14.21257 3.17873 -196.71096 1141.96900
7620.0000 -211.14743 -196.40982 14.73761 3.15797 -197.12161 1129.42205
7625.0000 -210.76646 -197.91695 12.84951 3.16727 -196.93766 1156.31170
7630.0000 -212.98696 -201.81568 11.17129 2.99954 -200.25612 1013.35942
7635.0000 -212.04616 -199.33872 12.70744 2.96925 -200.85533 997.75017
7640.0000 -211.97308 -199.83102 12.14205 2.99530 -200.33998 1044.33373
7645.0000 -212.24579 -198.77096 13.47483 3.00774 -200.09372 1046.12901
7650.0000 -208.94180 -197.55962 11.38218 3.17132 -196.85743 1122.41204
7655.0000 -212.12460 -197.64367 14.48093 3.12459 -197.78209 1117.56767
7660.0000 -208.91109 -196.76631 12.14477 3.15271 -197.22559 1145.67737
7665.0000 -213.34401 -200.54791 12.79609 3.07537 -198.75584 1079.67984
7670.0000 -211.39956 -199.37298 12.02658 3.04635 -199.33002 1072.36444
7675.0000 -210.62419 -197.79459 12.82960 3.07034 -198.85533 1103.49123
7680.0000 -211.51901 -198.85503 12.66398 3.08191 -198.62651 1081.54330
7685.0000 -211.87066 -199.50084 12.36982 2.99625 -200.32110 1024.27594
7690.0000 -211.57861 -199.66865 11.90996 3.03046 -199.64438 1067.91172
7695.0000 -208.15526 -198.13066 10.02460 3.08116 -198.64129 1071.22888
7700.0000 -209.84974 -197.36243 12.48731 3.08484 -198.56852 1082.21669
7705.0000 -210.46076 -198.29051 12.17024 3.11485 -197.97468 1101.84195
7710.0000 -210.19184 -197.26539 12.92645 3.13247 -197.62613 1121.36030
7715.0000 -210.91102 -198.37191 12.53911 3.13221 -197.63123 1146.23038
7720.0000 -210.79896 -198.32248 12.47648 3.12689 -197.73649 1107.68221
7725.0000 -210.28964 -199.13640 11.15324 3.12453 -197.78321 1118.73530
7730.0000 -211.60653 -199.38616 12.22038 3.12030 -197.86680 1111.21630
7735.0000 -209.01978 -195.88953 13.13025 3.10952 -198.08023 1098.10268
7740.0000 -209.56528 -196.99060 12.57468 3.23365 -195.62439 1185.86793
7745.0000 -208.92197 -196.99157 11.93040 3.09288 -198.40939 1080.99549
7750.0000 -209.79452 -198.18464 11.60988 3.10341 -198.20114 1097.17759
MELTING PROCESS: loop number 32 T-loop= 1123.0000000000000
main_MD> interactions number 32 at Temperature= 1123.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.04270 -0.07109 0.81867
force_rgl> df(natom) 1.36209 0.35842 3.37739
7755.0000 -213.97400 -198.47149 15.50250 3.15005 -197.27841 1141.40081
7760.0000 -209.61541 -196.81590 12.79952 3.08299 -198.60510 1085.63323
7765.0000 -210.17503 -196.98744 13.18759 3.13383 -197.59916 1113.99460
7770.0000 -210.70755 -198.64784 12.05971 3.16916 -196.90031 1130.25494
7775.0000 -211.87782 -199.11085 12.76698 3.09228 -198.42134 1064.70719
7780.0000 -210.91232 -197.66113 13.25119 3.13228 -197.62981 1086.80599
7785.0000 -210.87841 -197.50001 13.37840 3.17625 -196.75997 1117.13052
7790.0000 -208.39873 -195.30474 13.09399 3.23116 -195.67366 1177.15867
7795.0000 -209.35976 -195.74211 13.61765 3.20033 -196.28348 1165.01747
7800.0000 -210.62786 -197.64209 12.98576 3.13152 -197.64500 1101.22658
7805.0000 -208.18707 -195.98683 12.20024 3.19074 -196.47336 1129.69180
7810.0000 -210.97266 -196.54895 14.42371 3.16535 -196.97570 1140.08527
7815.0000 -208.65883 -196.28705 12.37178 3.15699 -197.14094 1136.13603
7820.0000 -210.17465 -199.04217 11.13249 3.09790 -198.31002 1125.18089
7825.0000 -212.19139 -200.63974 11.55165 3.10234 -198.22212 1076.45079
7830.0000 -209.96682 -197.96087 12.00595 3.08641 -198.53742 1085.10457
7835.0000 -211.57661 -197.25031 14.32630 3.14774 -197.32401 1094.65300
7840.0000 -211.88942 -197.98014 13.90928 3.13737 -197.52921 1117.53866
7845.0000 -211.32156 -200.47013 10.85143 3.07288 -198.80501 1079.06015
7850.0000 -212.08133 -199.11214 12.96920 3.05513 -199.15621 1059.81041
7855.0000 -209.77252 -198.40084 11.37168 3.14225 -197.43270 1116.42715
7860.0000 -209.96613 -196.68366 13.28246 3.14809 -197.31711 1124.74405
7865.0000 -210.08947 -196.25835 13.83112 3.16634 -196.95595 1160.27794
7870.0000 -210.73113 -198.79711 11.93402 3.12291 -197.81532 1127.57345
7875.0000 -208.66899 -196.37780 12.29119 3.16205 -197.04094 1129.81941
7880.0000 -208.40319 -195.90450 12.49869 3.24805 -195.33951 1167.30580
7885.0000 -210.03665 -195.79812 14.23853 3.22442 -195.80685 1159.62414
7890.0000 -211.47786 -198.22267 13.25519 3.19745 -196.34057 1144.82940
7895.0000 -210.51886 -197.99766 12.52120 3.13199 -197.63569 1126.75056
7900.0000 -210.31795 -197.52653 12.79142 3.09970 -198.27452 1091.52971
7905.0000 -210.59876 -198.98927 11.60949 3.10192 -198.23052 1076.27276
7910.0000 -210.49659 -197.07469 13.42190 3.11759 -197.92044 1091.12402
7915.0000 -212.18373 -199.07311 13.11062 3.10428 -198.18375 1115.23417
7920.0000 -211.96461 -197.46445 14.50016 3.11448 -197.98202 1127.94335
7925.0000 -210.02179 -197.56336 12.45843 3.19992 -196.29173 1174.61210
7930.0000 -214.06310 -200.53219 13.53091 3.00234 -200.20063 1024.25548
7935.0000 -209.82627 -199.64054 10.18573 2.97356 -200.77003 1003.86448
7940.0000 -212.95949 -200.06951 12.88998 3.01981 -199.85498 1037.11059
7945.0000 -209.73212 -198.04850 11.68362 3.05033 -199.25129 1059.67438
7950.0000 -208.42642 -196.36208 12.06434 3.12976 -197.67970 1059.82544
7955.0000 -209.03066 -193.83439 15.19628 3.24092 -195.48045 1178.76949
7960.0000 -210.66802 -198.17230 12.49572 3.19484 -196.39225 1129.51756
7965.0000 -210.90638 -197.92817 12.97820 3.11830 -197.90643 1103.78535
7970.0000 -211.42029 -198.02012 13.40017 3.12608 -197.75259 1111.30977
7975.0000 -211.44688 -198.84937 12.59751 3.11159 -198.03915 1089.70334
7980.0000 -212.06786 -200.49328 11.57458 3.00455 -200.15687 1019.33714
7985.0000 -211.60022 -200.02329 11.57693 3.08093 -198.64574 1062.75099
7990.0000 -210.62383 -197.56193 13.06190 3.07771 -198.70949 1076.40061
7995.0000 -211.81388 -199.30901 12.50487 3.07820 -198.69987 1086.00247
8000.0000 -210.73008 -197.83115 12.89893 3.07105 -198.84133 1093.55068
MELTING PROCESS: loop number 33 T-loop= 1148.0000000000000
main_MD> interactions number 33 at Temperature= 1148.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.62438 2.80657 -0.43643
force_rgl> df(natom) 3.64451 -5.21824 3.30752
8005.0000 -207.19978 -194.08334 13.11643 3.18268 -196.63267 1149.99477
8010.0000 -209.71172 -196.01062 13.70110 3.26588 -194.98669 1205.85139
8015.0000 -209.82025 -197.06321 12.75704 3.15622 -197.15632 1115.46623
8020.0000 -210.96344 -195.94337 15.02006 3.21674 -195.95893 1161.68758
8025.0000 -212.08463 -198.55076 13.53387 3.20604 -196.17065 1166.71143
8030.0000 -209.51740 -197.67408 11.84332 3.12175 -197.83823 1112.55382
8035.0000 -211.45586 -197.87287 13.58299 3.17099 -196.86410 1098.11720
8040.0000 -209.28051 -195.98420 13.29631 3.12578 -197.75855 1073.45357
8045.0000 -209.52600 -199.12389 10.40211 3.20538 -196.18369 1172.52469
8050.0000 -209.50937 -195.62590 13.88347 3.14560 -197.36630 1121.51645
8055.0000 -208.96902 -195.87274 13.09628 3.19302 -196.42816 1173.66246
8060.0000 -209.77984 -195.79473 13.98511 3.15653 -197.15010 1121.90652
8065.0000 -207.60823 -193.81844 13.78979 3.27164 -194.87272 1169.08451
8070.0000 -209.86073 -197.28834 12.57239 3.18747 -196.53802 1148.80418
8075.0000 -209.73244 -197.33676 12.39568 3.14299 -197.41806 1091.58070
8080.0000 -209.48258 -197.45911 12.02347 3.11935 -197.88569 1108.33514
8085.0000 -209.99537 -198.65556 11.33981 3.07006 -198.86078 1069.25957
8090.0000 -211.32484 -198.90367 12.42117 3.05001 -199.25751 1053.55261
8095.0000 -212.02597 -199.94111 12.08486 2.98474 -200.54880 1021.67424
8100.0000 -210.22808 -198.71855 11.50953 3.06263 -199.00782 1067.56546
8105.0000 -209.90677 -198.16260 11.74417 3.08767 -198.51244 1068.32026
8110.0000 -208.83045 -196.51442 12.31602 3.17544 -196.77594 1139.69964
8115.0000 -210.90876 -197.95168 12.95709 3.24384 -195.42283 1203.93290
8120.0000 -210.21339 -199.60029 10.61310 3.11882 -197.89623 1074.20705
8125.0000 -210.44388 -197.78612 12.65776 3.10024 -198.26380 1111.02817
8130.0000 -212.73221 -201.45748 11.27474 3.05292 -199.20003 1078.56350
8135.0000 -211.60520 -199.89022 11.71498 2.99773 -200.29191 1025.73167
8140.0000 -212.20413 -200.70974 11.49439 3.01811 -199.88859 1056.98790
8145.0000 -211.74147 -201.03324 10.70823 2.98194 -200.60427 1027.06014
8150.0000 -211.58131 -200.58201 10.99930 2.95076 -201.22112 985.67970
8155.0000 -211.24382 -199.72509 11.51873 3.02506 -199.75107 1021.40027
8160.0000 -210.94866 -197.78521 13.16345 3.06188 -199.02279 1060.47449
8165.0000 -210.14911 -199.01354 11.13557 3.10708 -198.12842 1116.00736
8170.0000 -209.50138 -197.10371 12.39767 3.11944 -197.88400 1104.53127
8175.0000 -207.74900 -196.12116 11.62785 3.15343 -197.21135 1143.89715
8180.0000 -208.28595 -195.94734 12.33862 3.21188 -196.05505 1159.44534
8185.0000 -209.45096 -197.52698 11.92399 3.16098 -197.06215 1143.52336
8190.0000 -209.84664 -195.89891 13.94772 3.10521 -198.16550 1093.99168
8195.0000 -208.68116 -193.77702 14.90414 3.30307 -194.25084 1238.33307
8200.0000 -208.64428 -192.26899 16.37529 3.32143 -193.88758 1246.13426
8205.0000 -208.41727 -194.06314 14.35413 3.43010 -191.73771 1278.19857
8210.0000 -206.44821 -194.89441 11.55381 3.26664 -194.97160 1172.31040
8215.0000 -211.02644 -199.26374 11.76271 3.11180 -198.03496 1065.68173
8220.0000 -209.56530 -198.53687 11.02844 3.07984 -198.66740 1123.33630
8225.0000 -210.67546 -199.16350 11.51195 3.03475 -199.55954 1059.00896
8230.0000 -212.41671 -200.24091 12.17581 3.11465 -197.97864 1117.69398
8235.0000 -208.11321 -196.74529 11.36792 3.13347 -197.60637 1115.23899
8240.0000 -210.07351 -198.20828 11.86523 3.21697 -195.95430 1156.63558
8245.0000 -210.68311 -197.89665 12.78647 3.15344 -197.21125 1145.32799
8250.0000 -207.13727 -195.40365 11.73362 3.19755 -196.33853 1162.84625
MELTING PROCESS: loop number 34 T-loop= 1173.0000000000000
main_MD> interactions number 34 at Temperature= 1173.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.04267 -0.80513 -0.72611
force_rgl> df(natom) -3.68355 -3.68414 0.20686
8255.0000 -207.10670 -193.59887 13.50783 3.26740 -194.95655 1219.74541
8260.0000 -208.70154 -194.81811 13.88343 3.40614 -192.21178 1280.90126
8265.0000 -209.33933 -196.82771 12.51162 3.22661 -195.76367 1152.87225
8270.0000 -209.95042 -195.52034 14.43008 3.24207 -195.45781 1194.93649
8275.0000 -208.83534 -197.29752 11.53781 3.18977 -196.49241 1145.67532
8280.0000 -210.14621 -198.23931 11.90690 3.16399 -197.00244 1138.64896
8285.0000 -207.23341 -192.31292 14.92049 3.30613 -194.19038 1248.22331
8290.0000 -208.23323 -195.11619 13.11704 3.34125 -193.49554 1225.57441
8295.0000 -208.27953 -195.28020 12.99933 3.28565 -194.59560 1210.39328
8300.0000 -208.12532 -195.28294 12.84238 3.28158 -194.67611 1206.47448
8305.0000 -207.49566 -194.61054 12.88511 3.23716 -195.55494 1191.53961
8310.0000 -209.51754 -197.38897 12.12857 3.20666 -196.15825 1165.57644
8315.0000 -210.90179 -198.18431 12.71749 3.07197 -198.82311 1080.17298
8320.0000 -208.53151 -195.78585 12.74566 3.14682 -197.34225 1130.26711
8325.0000 -206.43160 -193.69802 12.73358 3.28776 -194.55389 1191.09150
8330.0000 -207.98925 -194.67483 13.31442 3.35036 -193.31521 1232.79110
8335.0000 -211.28365 -197.62354 13.66011 3.20045 -196.28120 1173.02994
8340.0000 -211.01200 -196.63143 14.38057 3.19973 -196.29538 1160.79061
8345.0000 -208.69819 -195.57348 13.12471 3.15157 -197.24824 1123.80373
8350.0000 -209.78744 -197.00211 12.78533 3.19020 -196.48401 1157.20573
8355.0000 -207.22783 -195.24795 11.97988 3.21862 -195.92167 1181.75490
8360.0000 -208.19927 -193.75796 14.44131 3.27255 -194.85470 1184.97630
8365.0000 -207.48580 -193.74890 13.73690 3.24468 -195.40616 1169.39530
8370.0000 -207.64088 -194.77542 12.86546 3.32408 -193.83533 1240.29403
8375.0000 -207.39616 -194.79995 12.59621 3.28732 -194.56256 1220.94554
8380.0000 -207.48228 -194.94150 12.54078 3.27158 -194.87394 1220.05070
8385.0000 -209.54244 -195.74611 13.79633 3.27456 -194.81492 1200.49327
8390.0000 -210.91162 -195.03529 15.87634 3.21876 -195.91899 1143.50643
8395.0000 -210.34096 -196.70994 13.63101 3.23575 -195.58287 1178.63802
8400.0000 -208.73204 -195.00584 13.72619 3.20104 -196.26957 1160.64455
8405.0000 -209.74971 -197.15382 12.59590 3.29109 -194.48795 1182.48194
8410.0000 -212.07454 -199.03205 13.04249 3.11569 -197.95811 1062.89607
8415.0000 -209.95079 -195.49440 14.45640 3.14311 -197.41558 1131.78758
8420.0000 -206.97797 -193.09448 13.88349 3.29705 -194.37001 1230.79683
8425.0000 -209.74468 -195.56492 14.17976 3.35224 -193.27815 1242.54901
8430.0000 -207.76082 -196.46353 11.29729 3.26854 -194.93400 1185.91337
8435.0000 -209.65251 -197.71141 11.94109 3.12191 -197.83512 1100.79744
8440.0000 -209.06596 -195.83465 13.23131 3.22619 -195.77194 1191.00584
8445.0000 -207.62814 -196.85683 10.77132 3.13829 -197.51106 1114.82982
8450.0000 -209.31192 -196.75938 12.55254 3.15406 -197.19888 1143.87086
8455.0000 -207.99381 -194.83973 13.15408 3.21525 -195.98843 1198.15483
8460.0000 -209.08936 -194.99825 14.09111 3.30356 -194.24112 1230.46858
8465.0000 -208.53811 -196.15991 12.37819 3.25225 -195.25638 1205.40776
8470.0000 -207.89427 -193.53800 14.35628 3.28341 -194.63977 1234.47279
8475.0000 -207.52867 -193.74675 13.78193 3.28333 -194.64153 1223.62552
8480.0000 -209.18142 -196.93221 12.24921 3.34170 -193.48654 1245.30934
8485.0000 -208.50388 -196.00598 12.49790 3.15982 -197.08500 1149.44315
8490.0000 -211.42092 -196.66307 14.75785 3.21577 -195.97815 1169.01238
8495.0000 -210.30608 -196.15201 14.15407 3.23542 -195.58932 1157.06438
8500.0000 -208.44862 -194.49279 13.95582 3.28907 -194.52795 1203.04516
MELTING PROCESS: loop number 35 T-loop= 1198.0000000000000
main_MD> interactions number 35 at Temperature= 1198.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.83177 -1.01597 -1.02452
force_rgl> df(natom) -1.25290 -1.59471 5.73126
8505.0000 -207.67210 -193.10077 14.57132 3.27331 -194.83975 1195.11766
8510.0000 -209.44869 -195.29294 14.15574 3.31357 -194.04322 1242.23967
8515.0000 -209.91796 -197.08440 12.83356 3.15952 -197.09103 1151.48327
8520.0000 -210.74582 -199.03158 11.71424 3.14438 -197.39049 1113.00474
8525.0000 -205.77805 -193.36563 12.41241 3.16682 -196.94646 1137.14627
8530.0000 -209.22871 -196.03672 13.19199 3.28526 -194.60322 1185.52033
8535.0000 -210.10785 -197.14651 12.96134 3.17471 -196.79050 1149.49074
8540.0000 -207.13678 -193.18867 13.94811 3.28097 -194.68806 1227.34667
8545.0000 -207.72392 -193.30337 14.42056 3.33156 -193.68728 1225.53973
8550.0000 -209.88385 -197.72698 12.15687 3.27488 -194.80855 1208.02392
8555.0000 -208.27778 -195.66548 12.61230 3.20771 -196.13764 1147.09497
8560.0000 -207.72785 -193.63117 14.09668 3.27131 -194.87929 1193.71218
8565.0000 -206.87341 -192.53888 14.33453 3.33578 -193.60382 1264.14372
8570.0000 -207.27918 -193.94624 13.33294 3.29885 -194.33433 1229.18031
8575.0000 -207.65845 -194.16465 13.49380 3.31196 -194.07511 1231.86626
8580.0000 -208.30315 -195.34082 12.96234 3.27109 -194.88360 1227.89105
8585.0000 -208.36218 -195.42122 12.94096 3.24188 -195.46150 1147.30948
8590.0000 -208.44363 -196.74309 11.70054 3.20837 -196.12456 1168.97806
8595.0000 -207.27346 -192.92263 14.35083 3.23589 -195.58004 1200.40159
8600.0000 -208.21232 -192.66361 15.54871 3.40636 -192.20746 1324.01425
8605.0000 -203.08623 -187.80447 15.28177 3.41480 -192.04046 1282.31289
8610.0000 -207.05278 -190.89858 16.15420 3.49932 -190.36815 1326.81148
8615.0000 -205.27931 -191.79325 13.48605 3.45695 -191.20642 1310.42862
8620.0000 -207.28901 -191.65059 15.63842 3.45785 -191.18877 1306.60497
8625.0000 -207.69626 -193.96632 13.72994 3.37561 -192.81568 1269.22174
8630.0000 -209.08377 -195.82216 13.26161 3.19199 -196.44851 1142.28081
8635.0000 -209.21079 -195.08452 14.12627 3.17411 -196.80220 1116.24921
8640.0000 -207.41750 -193.28687 14.13063 3.28732 -194.56257 1247.32727
8645.0000 -209.33692 -195.50541 13.83151 3.30211 -194.26988 1247.94155
8650.0000 -210.48536 -196.54316 13.94220 3.21296 -196.03370 1169.57093
8655.0000 -209.48854 -195.87525 13.61329 3.23767 -195.54486 1180.96752
8660.0000 -208.19137 -194.38980 13.80156 3.27825 -194.74192 1206.78802
8665.0000 -208.36314 -194.98832 13.37481 3.28179 -194.67188 1193.93028
8670.0000 -207.93925 -191.46211 16.47715 3.39664 -192.39976 1277.97210
8675.0000 -206.20797 -189.25329 16.95468 3.48204 -190.71012 1365.94350
8680.0000 -205.31414 -188.96394 16.35021 3.61039 -188.17082 1422.86105
8685.0000 -209.81324 -194.13292 15.68032 3.39756 -192.38154 1288.12674
8690.0000 -210.58813 -197.25634 13.33179 3.18671 -196.55298 1177.66694
8695.0000 -208.56978 -195.73554 12.83424 3.24562 -195.38759 1164.11695
8700.0000 -211.35197 -199.99627 11.35570 3.07128 -198.83674 1067.02079
8705.0000 -211.12984 -198.70881 12.42103 3.04771 -199.30295 1062.32552
8710.0000 -208.69264 -194.84193 13.85071 3.16618 -196.95914 1128.47142
8715.0000 -208.50613 -194.57275 13.93338 3.27810 -194.74494 1198.15565
8720.0000 -208.46040 -194.91803 13.54236 3.25885 -195.12586 1208.56986
8725.0000 -206.65065 -194.19458 12.45607 3.28966 -194.51614 1226.56760
8730.0000 -210.52015 -197.43893 13.08123 3.18347 -196.61715 1132.48789
8735.0000 -211.18577 -198.41224 12.77353 3.20441 -196.20292 1174.29823
8740.0000 -209.71696 -194.57003 15.14693 3.18958 -196.49621 1145.02477
8745.0000 -210.38754 -194.67090 15.71664 3.21838 -195.92637 1157.93260
8750.0000 -207.91411 -194.72776 13.18635 3.29643 -194.38231 1217.85485
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 49.9722004 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink