tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/meltingSims/run_25/melt.log

1814 lines
179 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_25.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 = 25 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1600
main_MD> Size of nv and nvoiz: 25 2500
main_MD> Size of nv and nvoiz: 25 2500
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 = 25
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> -8.1005980901258282E-002 -3.7117963880930914E-003 5.1608895767911632E-002 initial drift of cluster / NP1 for coalescence
init> 0.32016392104097585 0.34980501121955193 0.25266144773098553 scaling for velocity /for coalescence NP1
init.f90 > facguy = 2.1039151720859350E-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) -0.32484 -0.73591 0.21311
force_rgl> df(natom) 0.77885 0.61384 2.31989
preparo> THERMALIZATION PROCESS AT 384.95562090981980
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -59.513631003541022 0.91514695600569818 -60.428777959546721 3.7785511732625534E-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 32
MELTING PROCESS: loop number 1 T-loop= 409.00000000000000
main_MD> interactions number 1 at Temperature= 409.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.30690 -0.36513 -0.14929
force_rgl> df(natom) -0.90354 0.25292 0.47310
5.0000 -60.03546 -59.16983 0.86563 1.70051 -59.21083 320.12971
10.0000 -60.03861 -58.80092 1.23769 1.72315 -59.01732 333.40913
15.0000 -59.94136 -58.68520 1.25616 1.76298 -58.67671 376.76515
20.0000 -60.14797 -58.54346 1.60452 1.76124 -58.69157 370.33285
25.0000 -59.60339 -58.52577 1.07762 1.76011 -58.70130 379.04437
30.0000 -59.19362 -57.86559 1.32803 1.80355 -58.32988 419.50892
35.0000 -59.64683 -58.34035 1.30648 1.82904 -58.11191 450.87978
40.0000 -59.75206 -58.40054 1.35153 1.80326 -58.33232 438.84893
45.0000 -60.22442 -58.85396 1.37046 1.74329 -58.84506 364.63522
50.0000 -60.21733 -58.71331 1.50402 1.73471 -58.91846 370.60929
55.0000 -59.93905 -58.63533 1.30372 1.74180 -58.85786 387.44388
60.0000 -60.07885 -58.71563 1.36322 1.72712 -58.98336 358.40492
65.0000 -59.66559 -57.91553 1.75007 1.79061 -58.44050 417.40820
70.0000 -59.95063 -58.40512 1.54550 1.84076 -58.01172 456.31345
75.0000 -59.87147 -58.40059 1.47088 1.80857 -58.28698 427.16083
80.0000 -59.63581 -58.44258 1.19324 1.80171 -58.34560 441.52067
85.0000 -60.04679 -58.87538 1.17141 1.75583 -58.73783 407.86930
90.0000 -59.76655 -58.46622 1.30033 1.76234 -58.68222 419.37782
95.0000 -60.07380 -58.64102 1.43278 1.78013 -58.53009 419.33668
100.0000 -60.02986 -58.93308 1.09678 1.74391 -58.83979 384.63935
105.0000 -60.05397 -58.56443 1.48954 1.77127 -58.60589 423.68127
110.0000 -59.99567 -58.26438 1.73130 1.80080 -58.35340 472.19360
115.0000 -59.80666 -58.29692 1.50974 1.81568 -58.22613 474.60612
120.0000 -59.81324 -58.06770 1.74555 1.83954 -58.02213 518.89185
125.0000 -59.58691 -57.92243 1.66448 1.83525 -58.05880 473.42471
130.0000 -59.90676 -58.76433 1.14242 1.79651 -58.39005 445.93557
135.0000 -59.72404 -58.25034 1.47370 1.78458 -58.49206 441.68609
140.0000 -59.81369 -58.68452 1.12917 1.78890 -58.45508 429.21578
145.0000 -59.91103 -58.09583 1.81519 1.77276 -58.59314 429.50451
150.0000 -59.83623 -58.49486 1.34137 1.80168 -58.34589 480.50576
155.0000 -60.33219 -59.01575 1.31645 1.77844 -58.54455 438.87901
160.0000 -60.33351 -59.12576 1.20775 1.73335 -58.93010 381.48049
165.0000 -60.08776 -58.89897 1.18880 1.74934 -58.79332 392.75666
170.0000 -59.85983 -58.42740 1.43242 1.78476 -58.49055 442.35662
175.0000 -59.85364 -58.42565 1.42799 1.79524 -58.40092 453.71755
180.0000 -59.64875 -58.23650 1.41225 1.78092 -58.52338 433.29889
185.0000 -60.05912 -58.63081 1.42831 1.80314 -58.33340 456.32132
190.0000 -60.12029 -58.89177 1.22852 1.73373 -58.92679 364.30814
195.0000 -60.11926 -58.71711 1.40214 1.73096 -58.95052 354.19088
200.0000 -59.79220 -58.46892 1.32328 1.76752 -58.63793 401.90417
205.0000 -60.01339 -58.68311 1.33028 1.80824 -58.28974 466.01513
210.0000 -59.64862 -58.06777 1.58085 1.81044 -58.27098 463.39362
215.0000 -59.72634 -57.83779 1.88854 1.82937 -58.10913 478.86802
220.0000 -59.73980 -58.29699 1.44281 1.83189 -58.08757 490.37222
225.0000 -60.22163 -58.29607 1.92557 1.76927 -58.62299 425.33771
230.0000 -60.03182 -58.61739 1.41442 1.79503 -58.40267 454.27763
235.0000 -59.88480 -58.94697 0.93783 1.74327 -58.84522 389.97324
240.0000 -59.67226 -58.49109 1.18117 1.76736 -58.63931 408.26519
245.0000 -59.92005 -58.23469 1.68536 1.81875 -58.19986 473.24621
250.0000 -59.44783 -57.89099 1.55684 1.82884 -58.11362 448.32567
MELTING PROCESS: loop number 2 T-loop= 434.00000000000000
main_MD> interactions number 2 at Temperature= 434.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.34380 -2.53642 1.42748
force_rgl> df(natom) -1.07603 0.57422 -0.45274
255.0000 -59.48670 -58.26250 1.22419 1.82567 -58.14073 461.79106
260.0000 -59.79445 -58.43405 1.36041 1.80395 -58.32645 440.01802
265.0000 -59.88372 -58.58730 1.29643 1.78491 -58.48921 412.37030
270.0000 -59.53392 -58.02925 1.50466 1.81666 -58.21775 431.54682
275.0000 -59.71941 -58.29698 1.42243 1.80105 -58.35126 431.15165
280.0000 -59.77842 -58.14496 1.63346 1.79375 -58.41364 428.67886
285.0000 -59.58467 -57.96319 1.62148 1.82064 -58.18374 456.54006
290.0000 -59.03440 -57.71152 1.32288 1.87488 -57.72004 486.77686
295.0000 -59.43063 -58.14723 1.28341 1.83322 -58.07620 445.37866
300.0000 -59.98962 -58.31818 1.67144 1.79880 -58.37047 412.12176
305.0000 -59.66478 -58.26987 1.39491 1.81072 -58.26854 425.59308
310.0000 -59.83018 -58.59010 1.24008 1.78775 -58.46499 402.94350
315.0000 -59.05079 -57.86928 1.18151 1.82038 -58.18593 436.27778
320.0000 -59.42673 -58.06961 1.35712 1.83321 -58.07627 425.75634
325.0000 -59.79519 -58.44864 1.34654 1.81600 -58.22345 445.52358
330.0000 -59.63037 -58.35327 1.27709 1.79275 -58.42222 457.27161
335.0000 -59.66325 -58.19865 1.46460 1.78637 -58.47678 444.68111
340.0000 -59.67741 -57.93862 1.73879 1.82255 -58.16744 482.50647
345.0000 -59.85625 -58.62521 1.23104 1.84515 -57.97419 494.40949
350.0000 -59.83480 -58.33726 1.49754 1.79888 -58.36980 448.97279
355.0000 -59.93084 -58.46730 1.46355 1.76656 -58.64613 424.43831
360.0000 -60.01085 -58.62261 1.38824 1.77226 -58.59743 419.19182
365.0000 -59.60941 -58.46534 1.14407 1.78748 -58.46729 451.06220
370.0000 -60.22712 -58.60772 1.61940 1.79939 -58.36540 464.87319
375.0000 -59.96932 -58.55616 1.41316 1.77870 -58.54236 430.87981
380.0000 -60.05456 -58.38563 1.66892 1.79466 -58.40586 458.98757
385.0000 -59.95358 -58.60131 1.35227 1.79205 -58.42815 462.21052
390.0000 -59.87424 -58.63768 1.23656 1.76404 -58.66768 401.28531
395.0000 -59.78857 -58.84712 0.94145 1.75264 -58.76515 383.67990
400.0000 -59.75335 -58.55076 1.20259 1.76963 -58.61991 417.65682
405.0000 -59.85272 -58.15470 1.69802 1.78004 -58.53085 444.20692
410.0000 -59.74293 -58.44906 1.29387 1.77768 -58.55108 431.06326
415.0000 -60.07314 -58.82861 1.24454 1.76780 -58.63557 420.94010
420.0000 -59.92865 -58.00392 1.92473 1.78262 -58.50884 434.13265
425.0000 -59.71786 -58.26593 1.45193 1.79765 -58.38031 451.35612
430.0000 -59.90302 -58.26173 1.64129 1.80064 -58.35476 455.30197
435.0000 -59.62531 -57.63974 1.98557 1.83475 -58.06311 494.71401
440.0000 -59.86279 -58.44541 1.41738 1.83659 -58.04741 499.16665
445.0000 -59.72859 -58.01813 1.71046 1.81039 -58.27138 462.14569
450.0000 -59.84489 -58.61559 1.22930 1.79959 -58.36369 465.39994
455.0000 -60.12212 -58.52325 1.59887 1.78823 -58.46088 452.93227
460.0000 -59.84023 -58.40746 1.43277 1.79575 -58.39656 464.51093
465.0000 -60.12809 -58.69947 1.42861 1.78124 -58.52060 454.35940
470.0000 -60.08955 -59.00900 1.08055 1.77831 -58.54563 405.60816
475.0000 -59.99671 -58.60900 1.38771 1.74173 -58.85842 377.80268
480.0000 -60.00893 -58.64997 1.35897 1.79080 -58.43890 418.96318
485.0000 -59.46898 -58.51072 0.95827 1.75927 -58.70841 390.62639
490.0000 -60.12992 -58.55229 1.57762 1.79441 -58.40798 448.86635
495.0000 -60.13388 -58.40909 1.72479 1.75227 -58.76830 405.15509
500.0000 -59.93038 -58.66394 1.26644 1.76879 -58.62707 419.33703
MELTING PROCESS: loop number 3 T-loop= 459.00000000000000
main_MD> interactions number 3 at Temperature= 459.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05782 0.25389 -0.29495
force_rgl> df(natom) 1.27706 -3.32021 -0.56723
505.0000 -60.23915 -58.72526 1.51389 1.76957 -58.62035 428.64605
510.0000 -59.79788 -58.62364 1.17424 1.75638 -58.73320 418.93566
515.0000 -59.97973 -58.25540 1.72432 1.80865 -58.28630 450.63214
520.0000 -59.62024 -58.13777 1.48248 1.83194 -58.08713 484.26414
525.0000 -59.48104 -57.18319 2.29785 1.87650 -57.70613 560.10335
530.0000 -59.36879 -58.23992 1.12887 1.91721 -57.35810 568.45536
535.0000 -59.74180 -58.46085 1.28095 1.79640 -58.39097 408.89609
540.0000 -59.90574 -58.80503 1.10071 1.78842 -58.45924 417.47453
545.0000 -59.91129 -58.41420 1.49708 1.75010 -58.78682 370.20181
550.0000 -59.41497 -58.07937 1.33560 1.78486 -58.48970 412.86716
555.0000 -59.26463 -57.72298 1.54165 1.83596 -58.05272 465.27726
560.0000 -60.02150 -57.90059 2.12091 1.81836 -58.20327 452.35500
565.0000 -59.73982 -58.06908 1.67074 1.85331 -57.90441 478.46468
570.0000 -59.70503 -58.10065 1.60439 1.85177 -57.91757 489.68596
575.0000 -59.86717 -57.75616 2.11101 1.81809 -58.20554 470.41484
580.0000 -59.69512 -58.40061 1.29451 1.81671 -58.21736 470.04167
585.0000 -59.51099 -58.20791 1.30308 1.79089 -58.43812 443.77049
590.0000 -59.80208 -57.66040 2.14168 1.82838 -58.11755 463.48008
595.0000 -59.64152 -57.87013 1.77139 1.85592 -57.88210 481.92069
600.0000 -59.78982 -58.32311 1.46671 1.81911 -58.19680 457.11560
605.0000 -59.72132 -58.20723 1.51409 1.81439 -58.23721 453.93241
610.0000 -59.33494 -57.68363 1.65131 1.86007 -57.84660 491.94450
615.0000 -59.59905 -57.85018 1.74887 1.84888 -57.94232 486.52772
620.0000 -60.04442 -58.70177 1.34265 1.79657 -58.38955 414.42553
625.0000 -59.49775 -58.13108 1.36667 1.80822 -58.28997 449.46796
630.0000 -60.00317 -58.45360 1.54957 1.84289 -57.99351 483.64329
635.0000 -59.55534 -58.39709 1.15824 1.79654 -58.38980 426.94648
640.0000 -59.96680 -58.13380 1.83300 1.82629 -58.13548 461.56931
645.0000 -60.08964 -58.62502 1.46462 1.79625 -58.39231 413.01168
650.0000 -59.53816 -58.33674 1.20143 1.79755 -58.38116 420.95518
655.0000 -59.18571 -57.79628 1.38943 1.83674 -58.04609 446.04180
660.0000 -59.06629 -57.20711 1.85918 1.87286 -57.73729 511.00992
665.0000 -59.22925 -57.91653 1.31271 1.89370 -57.55911 518.81689
670.0000 -59.99362 -57.86990 2.12372 1.84093 -58.01028 481.01396
675.0000 -59.96040 -58.55682 1.40357 1.79834 -58.37444 432.73511
680.0000 -59.63905 -58.48498 1.15408 1.81584 -58.22480 459.94959
685.0000 -59.85654 -58.73970 1.11684 1.76293 -58.67714 371.17030
690.0000 -60.01726 -58.55100 1.46625 1.79995 -58.36068 414.76471
695.0000 -59.65798 -58.52088 1.13710 1.77579 -58.56718 390.86985
700.0000 -59.28075 -58.00000 1.28075 1.80898 -58.28343 425.32541
705.0000 -59.78457 -58.33759 1.44698 1.79673 -58.38818 428.99096
710.0000 -59.77441 -58.19041 1.58400 1.85646 -57.87749 498.34591
715.0000 -59.17728 -57.75942 1.41786 1.85687 -57.87395 482.07397
720.0000 -59.73847 -58.32362 1.41485 1.84614 -57.96569 469.09608
725.0000 -59.87740 -58.04287 1.83454 1.81500 -58.23194 445.89545
730.0000 -59.49243 -57.89292 1.59951 1.83875 -58.02894 474.57611
735.0000 -59.53327 -57.72671 1.80656 1.84142 -58.00607 474.64517
740.0000 -59.60175 -57.95284 1.64891 1.89999 -57.50529 527.37899
745.0000 -59.10936 -57.45734 1.65202 1.85474 -57.89224 473.45623
750.0000 -59.22561 -57.66488 1.56072 1.91361 -57.38890 518.60854
MELTING PROCESS: loop number 4 T-loop= 484.00000000000000
main_MD> interactions number 4 at Temperature= 484.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.95767 -1.12390 -1.14992
force_rgl> df(natom) 1.89585 0.41476 0.01518
755.0000 -59.50987 -57.77752 1.73235 1.85856 -57.85950 454.70874
760.0000 -59.23852 -57.79632 1.44220 1.85194 -57.91612 448.19377
765.0000 -59.69321 -57.82238 1.87084 1.87377 -57.72945 504.00603
770.0000 -59.64440 -57.97956 1.66483 1.83940 -58.02335 501.28328
775.0000 -60.02962 -58.27036 1.75926 1.82715 -58.12811 478.55351
780.0000 -59.78163 -58.61720 1.16443 1.79386 -58.41272 449.60714
785.0000 -59.92065 -58.59195 1.32870 1.78232 -58.51137 432.01211
790.0000 -59.74415 -57.71418 2.02997 1.81132 -58.26344 474.97149
795.0000 -59.06681 -57.52304 1.54377 1.90337 -57.47642 580.59913
800.0000 -59.46146 -58.26912 1.19234 1.86154 -57.83405 503.33517
805.0000 -59.65964 -58.19189 1.46775 1.78039 -58.52785 441.16660
810.0000 -59.46257 -57.84264 1.61993 1.85363 -57.90165 512.38739
815.0000 -60.00313 -58.58416 1.41898 1.79368 -58.41428 449.20561
820.0000 -60.00323 -58.55365 1.44958 1.77535 -58.57101 438.54648
825.0000 -59.12720 -57.73876 1.38845 1.79915 -58.36751 472.76844
830.0000 -59.52437 -58.24120 1.28317 1.85196 -57.91598 507.59520
835.0000 -59.91515 -58.50581 1.40933 1.80033 -58.35739 465.89109
840.0000 -59.33721 -57.66818 1.66903 1.83929 -58.02429 499.97787
845.0000 -59.03327 -57.03065 2.00262 1.90717 -57.44392 591.15760
850.0000 -59.70817 -58.07702 1.63114 1.89819 -57.52074 572.30041
855.0000 -59.75806 -58.15553 1.60253 1.82017 -58.18777 477.60526
860.0000 -59.64862 -58.15338 1.49523 1.83342 -58.07444 494.28876
865.0000 -59.83920 -58.04855 1.79065 1.82653 -58.13336 487.66539
870.0000 -59.30716 -57.96307 1.34410 1.87273 -57.73837 548.36075
875.0000 -59.50129 -57.44911 2.05218 1.88451 -57.63766 566.30345
880.0000 -59.40936 -57.44814 1.96123 1.90992 -57.42045 550.17977
885.0000 -59.09078 -58.02097 1.06982 1.83554 -58.05639 465.95453
890.0000 -59.49212 -57.86872 1.62340 1.83790 -58.03619 452.15493
895.0000 -59.24818 -57.51282 1.73536 1.87814 -57.69211 523.90953
900.0000 -59.43471 -57.91690 1.51781 1.86686 -57.78855 505.17851
905.0000 -59.73846 -58.35766 1.38080 1.82252 -58.16766 463.95834
910.0000 -59.65363 -57.89664 1.75699 1.85789 -57.86529 529.75025
915.0000 -59.50650 -57.52741 1.97908 1.86777 -57.78081 520.71908
920.0000 -59.40620 -57.99521 1.41099 1.83671 -58.04636 464.36649
925.0000 -59.32262 -57.68485 1.63777 1.86974 -57.76391 493.39667
930.0000 -59.73089 -57.81365 1.91724 1.87268 -57.73880 519.79703
935.0000 -59.73780 -57.98464 1.75316 1.83698 -58.04405 487.85643
940.0000 -60.04445 -58.11217 1.93228 1.84485 -57.97679 524.70601
945.0000 -59.89509 -58.62935 1.26574 1.77665 -58.55986 432.75416
950.0000 -59.92185 -58.29383 1.62802 1.79329 -58.41758 434.09585
955.0000 -59.56653 -57.97670 1.58983 1.82207 -58.17151 428.19768
960.0000 -59.23479 -57.77740 1.45739 1.84695 -57.95881 477.20405
965.0000 -59.55289 -58.11622 1.43667 1.85527 -57.88770 495.79985
970.0000 -59.36815 -57.68988 1.67827 1.90122 -57.49482 527.70497
975.0000 -59.52369 -58.38433 1.13937 1.83669 -58.04649 476.65405
980.0000 -59.30853 -57.68331 1.62521 1.82876 -58.11432 447.03644
985.0000 -59.56526 -57.97463 1.59063 1.86838 -57.77559 532.63064
990.0000 -59.60421 -57.74748 1.85673 1.84000 -58.01821 490.12652
995.0000 -59.70579 -57.87836 1.82743 1.89961 -57.50855 565.35436
1000.0000 -59.51323 -58.29087 1.22236 1.83100 -58.09520 476.97113
MELTING PROCESS: loop number 5 T-loop= 509.00000000000000
main_MD> interactions number 5 at Temperature= 509.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.44480 2.34319 -1.97228
force_rgl> df(natom) 0.03726 -1.64957 -0.61420
1005.0000 -59.61797 -57.92432 1.69365 1.83343 -58.07437 492.67464
1010.0000 -59.70534 -58.12635 1.57900 1.85256 -57.91087 527.93987
1015.0000 -59.66814 -57.83496 1.83319 1.87279 -57.73787 529.03973
1020.0000 -59.65001 -58.05375 1.59626 1.85029 -57.93024 537.07562
1025.0000 -59.74172 -57.97233 1.76939 1.85600 -57.88141 514.12613
1030.0000 -59.40953 -57.79451 1.61502 1.86839 -57.77552 527.41191
1035.0000 -59.46425 -58.01333 1.45092 1.89519 -57.54634 576.51974
1040.0000 -59.96830 -58.17262 1.79568 1.83340 -58.07467 482.39247
1045.0000 -59.95945 -57.77946 2.17999 1.83905 -58.02633 481.13239
1050.0000 -59.81184 -58.39247 1.41938 1.83097 -58.09546 508.86960
1055.0000 -60.06540 -58.69012 1.37527 1.76096 -58.69399 408.93127
1060.0000 -59.77142 -58.54820 1.22322 1.76930 -58.62268 422.87669
1065.0000 -59.77442 -58.39111 1.38330 1.78294 -58.50605 441.50751
1070.0000 -59.50011 -57.91482 1.58529 1.82423 -58.15308 484.40250
1075.0000 -59.89349 -58.06847 1.82503 1.85640 -57.87802 516.86168
1080.0000 -59.82017 -58.44854 1.37163 1.80963 -58.27786 451.31462
1085.0000 -60.07089 -58.58010 1.49079 1.79199 -58.42869 441.54000
1090.0000 -60.03997 -58.83638 1.20358 1.75800 -58.71935 416.81513
1095.0000 -59.48419 -58.17542 1.30877 1.77781 -58.54998 423.79670
1100.0000 -59.28439 -57.69607 1.58832 1.88024 -57.67416 500.37454
1105.0000 -59.68699 -58.18858 1.49842 1.86609 -57.79517 520.31714
1110.0000 -59.66070 -57.88373 1.77697 1.86455 -57.80831 502.67828
1115.0000 -59.62870 -58.19545 1.43325 1.86366 -57.81593 538.89455
1120.0000 -59.59805 -57.98921 1.60884 1.82993 -58.10429 512.59814
1125.0000 -59.16020 -57.34737 1.81282 1.88322 -57.64870 530.08764
1130.0000 -59.91949 -57.85130 2.06818 1.86887 -57.77139 546.54878
1135.0000 -59.74369 -58.08933 1.65437 1.84162 -58.00441 507.92264
1140.0000 -59.14463 -57.89911 1.24552 1.84808 -57.94910 503.85838
1145.0000 -59.13745 -57.40541 1.73204 1.88016 -57.67485 511.21467
1150.0000 -59.89992 -58.49512 1.40480 1.84330 -57.99005 477.72676
1155.0000 -59.95871 -58.30800 1.65071 1.81642 -58.21980 481.31401
1160.0000 -59.91912 -58.18690 1.73222 1.82121 -58.17886 477.34500
1165.0000 -59.41359 -58.04288 1.37071 1.86399 -57.81308 540.59201
1170.0000 -59.79258 -57.78914 2.00344 1.83502 -58.06080 504.18733
1175.0000 -59.74757 -57.81747 1.93009 1.87635 -57.70739 544.67503
1180.0000 -59.21449 -58.12775 1.08675 1.86009 -57.84643 532.39022
1185.0000 -59.56315 -57.93544 1.62771 1.82536 -58.14343 474.93453
1190.0000 -60.02429 -58.26852 1.75577 1.85541 -57.88645 519.81283
1195.0000 -59.62377 -57.64896 1.97481 1.82128 -58.17825 476.00616
1200.0000 -59.41003 -57.63388 1.77615 1.85811 -57.86341 529.91570
1205.0000 -59.26395 -57.87095 1.39300 1.85768 -57.86708 536.63360
1210.0000 -59.70085 -58.11947 1.58138 1.84389 -57.98497 491.58356
1215.0000 -59.04257 -57.65199 1.39058 1.80484 -58.31884 455.48673
1220.0000 -59.83753 -58.05038 1.78715 1.85955 -57.85111 496.81673
1225.0000 -59.68169 -57.95437 1.72732 1.82910 -58.11138 496.93610
1230.0000 -59.88281 -58.67991 1.20291 1.80338 -58.33134 457.29482
1235.0000 -59.99146 -58.64433 1.34713 1.80728 -58.29799 475.66294
1240.0000 -59.77921 -57.81086 1.96835 1.82790 -58.12171 491.71185
1245.0000 -59.78575 -58.38704 1.39871 1.80695 -58.30080 479.48463
1250.0000 -59.81076 -58.27143 1.53933 1.80808 -58.29110 470.68262
MELTING PROCESS: loop number 6 T-loop= 534.00000000000000
main_MD> interactions number 6 at Temperature= 534.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.16796 2.81456 1.23127
force_rgl> df(natom) 0.97218 0.23556 -1.50868
1255.0000 -59.22592 -57.38936 1.83656 1.85478 -57.89188 527.00861
1260.0000 -59.30671 -57.88264 1.42406 1.86262 -57.82479 505.65857
1265.0000 -59.50337 -57.83821 1.66516 1.86214 -57.82892 508.55458
1270.0000 -59.51554 -57.94498 1.57055 1.84182 -58.00265 511.66991
1275.0000 -59.12599 -57.12026 2.00573 1.90568 -57.45665 577.93511
1280.0000 -59.38418 -57.83275 1.55144 1.91673 -57.36216 555.33151
1285.0000 -59.34365 -57.78072 1.56293 1.86565 -57.79890 504.54530
1290.0000 -59.10556 -56.78962 2.31595 1.90074 -57.49890 540.81658
1295.0000 -59.35796 -57.83380 1.52416 1.94855 -57.09015 586.75037
1300.0000 -59.18469 -57.46122 1.72347 1.90528 -57.46012 570.28038
1305.0000 -59.45082 -57.71782 1.73300 1.88684 -57.61779 538.84781
1310.0000 -59.24442 -57.74979 1.49462 1.88656 -57.62012 505.97708
1315.0000 -59.23756 -57.65064 1.58692 1.87368 -57.73025 476.84379
1320.0000 -59.10593 -57.40490 1.70103 1.88576 -57.62700 492.08341
1325.0000 -58.98444 -57.21461 1.76984 1.97306 -56.88061 663.22923
1330.0000 -59.74030 -57.73761 2.00270 1.88503 -57.63325 540.85854
1335.0000 -59.12395 -57.22518 1.89876 1.89500 -57.54801 540.76375
1340.0000 -59.18295 -57.83075 1.35220 1.90794 -57.43732 546.30034
1345.0000 -59.24561 -57.75788 1.48774 1.87264 -57.73912 511.18616
1350.0000 -59.39778 -57.44424 1.95354 1.89576 -57.54144 530.40675
1355.0000 -59.49965 -57.58085 1.91880 1.91684 -57.36122 564.57330
1360.0000 -59.51319 -57.79553 1.71766 1.83879 -58.02858 483.89459
1365.0000 -59.12459 -57.08644 2.03815 1.91578 -57.37035 569.73806
1370.0000 -59.67272 -57.54453 2.12819 1.93002 -57.24859 587.68051
1375.0000 -59.43374 -58.06395 1.36979 1.85749 -57.86869 506.71537
1380.0000 -59.24695 -57.46863 1.77832 1.84540 -57.97205 496.52830
1385.0000 -59.68774 -57.97411 1.71363 1.89886 -57.51501 516.88648
1390.0000 -59.47222 -57.42470 2.04753 1.89173 -57.57596 488.53101
1395.0000 -59.19700 -57.43095 1.76605 1.92279 -57.31036 539.52319
1400.0000 -58.97708 -57.02656 1.95052 1.92361 -57.30338 539.60522
1405.0000 -59.22232 -57.32816 1.89416 1.95205 -57.06022 601.92809
1410.0000 -58.91069 -57.52056 1.39012 1.90859 -57.43176 559.64211
1415.0000 -59.30728 -57.81441 1.49287 1.88518 -57.63192 527.17107
1420.0000 -59.64323 -57.67962 1.96362 1.86709 -57.78660 535.13417
1425.0000 -59.19478 -57.39257 1.80221 1.87289 -57.73700 546.08918
1430.0000 -59.13843 -57.22161 1.91682 1.87633 -57.70762 529.08004
1435.0000 -59.40411 -57.08200 2.32210 1.93371 -57.21700 597.10932
1440.0000 -59.52874 -57.50854 2.02021 1.94329 -57.13509 627.28895
1445.0000 -59.10314 -57.63636 1.46679 1.88071 -57.67011 519.15498
1450.0000 -59.26476 -57.84657 1.41819 1.87246 -57.74067 494.63216
1455.0000 -58.96444 -57.28353 1.68091 1.87403 -57.72726 517.75573
1460.0000 -59.24012 -57.23964 2.00048 1.93778 -57.18223 554.61123
1465.0000 -58.46789 -56.93252 1.53537 1.93131 -57.23749 571.78634
1470.0000 -59.85478 -58.22453 1.63025 1.87686 -57.70308 516.37771
1475.0000 -59.36611 -57.60500 1.76111 1.86209 -57.82935 520.42518
1480.0000 -59.23981 -57.57568 1.66413 1.90722 -57.44347 580.93376
1485.0000 -59.63386 -57.68792 1.94595 1.90208 -57.48748 526.01198
1490.0000 -59.83107 -58.37591 1.45516 1.85117 -57.92268 488.77869
1495.0000 -59.40774 -57.82767 1.58007 1.80475 -58.31963 448.10088
1500.0000 -59.19661 -57.46972 1.72689 1.90183 -57.48955 552.11690
MELTING PROCESS: loop number 7 T-loop= 559.00000000000000
main_MD> interactions number 7 at Temperature= 559.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33018 3.45946 0.71682
force_rgl> df(natom) -2.72363 -1.38752 0.35566
1505.0000 -58.89234 -57.28388 1.60845 1.93822 -57.17845 580.55243
1510.0000 -59.36511 -57.67389 1.69122 1.90281 -57.48120 574.51689
1515.0000 -59.07915 -57.76355 1.31560 1.86756 -57.78256 534.17153
1520.0000 -58.87320 -57.25165 1.62155 1.90431 -57.46835 568.14918
1525.0000 -59.01541 -57.41232 1.60309 1.92688 -57.27538 566.59821
1530.0000 -58.54404 -57.09297 1.45106 1.90675 -57.44748 559.49199
1535.0000 -58.71802 -56.28984 2.42818 1.97781 -56.83992 626.15564
1540.0000 -59.12609 -57.09952 2.02657 1.94795 -57.09529 594.61123
1545.0000 -59.43747 -57.68343 1.75404 1.94695 -57.10381 581.63766
1550.0000 -59.37520 -57.66618 1.70902 1.91075 -57.41329 565.31747
1555.0000 -59.04351 -56.83214 2.21137 1.88708 -57.61572 521.18278
1560.0000 -59.18192 -57.37705 1.80487 1.94002 -57.16310 593.53753
1565.0000 -59.63085 -57.67217 1.95868 1.88136 -57.66462 554.62063
1570.0000 -59.04072 -57.35992 1.68080 1.91607 -57.36784 584.51112
1575.0000 -59.37882 -57.82650 1.55232 1.86963 -57.76492 492.43222
1580.0000 -59.82980 -58.57092 1.25888 1.82655 -58.13320 486.98184
1585.0000 -59.53658 -57.90284 1.63374 1.81902 -58.19756 452.07318
1590.0000 -59.61587 -57.78933 1.82655 1.80464 -58.32056 435.98868
1595.0000 -59.50505 -57.33390 2.17115 1.87522 -57.71707 537.80313
1600.0000 -58.64213 -56.60707 2.03506 1.93758 -57.18391 609.75215
1605.0000 -58.74223 -56.80382 1.93841 2.01434 -56.52763 637.05835
1610.0000 -58.89222 -57.19012 1.70210 1.97445 -56.86870 615.08060
1615.0000 -59.23488 -57.12877 2.10610 1.95317 -57.05067 614.93949
1620.0000 -59.31761 -56.87270 2.44490 2.00208 -56.63242 653.29784
1625.0000 -59.49181 -56.90645 2.58536 1.97716 -56.84551 614.69187
1630.0000 -59.74436 -58.10572 1.63865 1.88879 -57.60108 561.19068
1635.0000 -59.24493 -57.48688 1.75805 1.83928 -58.02435 502.71031
1640.0000 -59.62154 -57.76988 1.85166 1.88979 -57.59251 537.58838
1645.0000 -59.21255 -57.60994 1.60261 1.85477 -57.89197 509.46773
1650.0000 -59.06669 -57.19374 1.87296 1.88064 -57.67079 551.18971
1655.0000 -59.58154 -57.65459 1.92694 1.89873 -57.51609 559.69200
1660.0000 -59.79405 -57.97882 1.81524 1.89199 -57.57370 548.95588
1665.0000 -59.42893 -57.29347 2.13546 1.93196 -57.23196 579.15507
1670.0000 -58.98787 -57.26239 1.72548 1.92266 -57.31147 581.88111
1675.0000 -59.06435 -57.51047 1.55388 1.94266 -57.14050 579.36546
1680.0000 -59.47066 -57.89059 1.58007 1.89188 -57.57464 476.66558
1685.0000 -58.89930 -57.37257 1.52672 1.89538 -57.54476 492.52416
1690.0000 -59.45843 -57.42091 2.03752 1.92133 -57.32282 542.06242
1695.0000 -59.28659 -57.56241 1.72418 1.89293 -57.56565 548.56303
1700.0000 -59.02868 -57.57862 1.45006 1.90294 -57.48011 555.52549
1705.0000 -59.56271 -57.97930 1.58341 1.88779 -57.60960 527.27498
1710.0000 -59.49138 -57.45816 2.03322 1.84371 -57.98647 508.73568
1715.0000 -58.86008 -57.38005 1.48003 1.93908 -57.17107 622.74826
1720.0000 -58.98223 -57.30331 1.67892 1.92705 -57.27392 570.52475
1725.0000 -59.88121 -58.33104 1.55016 1.86075 -57.84079 521.11060
1730.0000 -58.96362 -57.64964 1.31398 1.85927 -57.85346 494.37742
1735.0000 -59.71787 -57.62977 2.08810 1.88983 -57.59214 526.64996
1740.0000 -59.33962 -57.72477 1.61486 1.88235 -57.65617 557.63761
1745.0000 -59.47218 -57.77994 1.69225 1.89836 -57.51927 585.65627
1750.0000 -59.45368 -57.57174 1.88194 1.87230 -57.74206 535.51470
MELTING PROCESS: loop number 8 T-loop= 584.00000000000000
main_MD> interactions number 8 at Temperature= 584.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49640 -0.06781 -1.85813
force_rgl> df(natom) -1.68205 -0.52424 -2.62557
1755.0000 -59.97693 -58.06273 1.91420 1.86246 -57.82623 521.56253
1760.0000 -59.37309 -57.82957 1.54352 1.82920 -58.11057 495.45595
1765.0000 -59.15730 -57.30461 1.85269 1.85405 -57.89808 489.98105
1770.0000 -58.81704 -57.08480 1.73223 1.90630 -57.45134 518.51380
1775.0000 -59.49268 -57.50889 1.98379 1.90967 -57.42251 550.64098
1780.0000 -58.78276 -57.04742 1.73535 1.93258 -57.22668 592.35578
1785.0000 -58.61738 -56.88578 1.73160 1.94094 -57.15521 595.43016
1790.0000 -58.81688 -56.63136 2.18552 1.98853 -56.74827 618.28331
1795.0000 -58.93881 -57.06187 1.87694 1.98427 -56.78477 633.33412
1800.0000 -58.62888 -57.00702 1.62186 1.96801 -56.92371 618.07199
1805.0000 -59.29148 -56.98543 2.30605 1.95229 -57.05812 631.56383
1810.0000 -59.09879 -57.24655 1.85224 1.94347 -57.13357 632.22880
1815.0000 -58.95082 -57.08034 1.87047 1.91201 -57.40258 597.64855
1820.0000 -59.41126 -57.34215 2.06911 1.95402 -57.04335 589.74872
1825.0000 -59.25083 -56.67072 2.58012 1.94161 -57.14947 576.86144
1830.0000 -58.73982 -56.69343 2.04639 1.97355 -56.87636 649.72348
1835.0000 -59.05368 -56.91551 2.13817 1.98012 -56.82017 622.29606
1840.0000 -58.93633 -57.15381 1.78252 1.94996 -57.07804 609.41546
1845.0000 -58.94249 -56.04778 2.89471 2.01036 -56.56171 684.88073
1850.0000 -58.58673 -56.63477 1.95196 1.96722 -56.93048 619.20367
1855.0000 -59.08085 -56.68044 2.40040 1.99700 -56.67586 682.21038
1860.0000 -59.60365 -57.66445 1.93920 1.91816 -57.34993 592.44791
1865.0000 -58.87174 -56.92267 1.94907 1.92085 -57.32696 597.05481
1870.0000 -59.22212 -56.29852 2.92361 1.96048 -56.98812 666.56425
1875.0000 -58.60318 -55.70701 2.89618 2.05911 -56.14487 748.10501
1880.0000 -58.08355 -56.25762 1.82594 2.08780 -55.89957 731.98708
1885.0000 -58.43860 -56.59806 1.84055 1.97664 -56.84993 619.60209
1890.0000 -58.79677 -56.89607 1.90070 2.01813 -56.49524 651.86032
1895.0000 -59.36950 -57.51236 1.85715 1.93257 -57.22678 589.67862
1900.0000 -59.33430 -57.75723 1.57707 1.86899 -57.77035 498.12269
1905.0000 -59.61395 -57.23228 2.38167 1.89699 -57.53100 558.45405
1910.0000 -59.31706 -57.91610 1.40096 1.86147 -57.83465 498.98031
1915.0000 -59.07687 -57.61756 1.45931 1.86128 -57.83629 503.64897
1920.0000 -59.08349 -56.73516 2.34833 1.89734 -57.52799 562.85819
1925.0000 -59.64585 -57.45333 2.19252 1.91602 -57.36823 584.77881
1930.0000 -58.53499 -56.48948 2.04551 1.97366 -56.87546 644.95648
1935.0000 -58.46023 -56.80951 1.65072 2.06096 -56.12906 699.46098
1940.0000 -58.37868 -56.28639 2.09229 2.02302 -56.45346 660.90654
1945.0000 -58.82972 -56.56979 2.25993 2.01730 -56.50230 693.09353
1950.0000 -58.47504 -57.08592 1.38912 1.98025 -56.81909 622.33989
1955.0000 -59.09849 -57.45342 1.64507 1.98839 -56.74948 627.17956
1960.0000 -58.96547 -57.00246 1.96301 1.88744 -57.61258 536.93606
1965.0000 -59.25599 -57.17168 2.08431 1.93050 -57.24446 551.80662
1970.0000 -58.59023 -56.65678 1.93344 1.96352 -56.96215 563.50673
1975.0000 -59.55845 -57.23552 2.32293 1.95123 -57.06722 621.04148
1980.0000 -59.16435 -57.43475 1.72960 1.90025 -57.50305 573.04805
1985.0000 -59.09542 -57.48607 1.60935 1.90613 -57.45279 570.43314
1990.0000 -59.06511 -57.11844 1.94668 1.92609 -57.28216 579.79366
1995.0000 -58.70064 -56.99298 1.70766 1.94570 -57.11448 608.68465
2000.0000 -58.80217 -56.87768 1.92449 2.02581 -56.42960 697.87566
MELTING PROCESS: loop number 9 T-loop= 609.00000000000000
main_MD> interactions number 9 at Temperature= 609.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.97027 -0.65279 0.34870
force_rgl> df(natom) 0.11385 -0.70612 -5.01699
2005.0000 -59.62661 -57.80765 1.81897 1.93973 -57.16551 603.67846
2010.0000 -59.75831 -57.45763 2.30068 1.87187 -57.74573 527.93184
2015.0000 -57.96963 -55.98619 1.98344 1.97166 -56.89250 618.15165
2020.0000 -58.62928 -56.67140 1.95787 2.06718 -56.07585 695.48414
2025.0000 -58.83468 -57.11533 1.71934 1.97224 -56.88759 596.50538
2030.0000 -59.19495 -57.04646 2.14849 1.96105 -56.98322 568.83696
2035.0000 -58.76396 -56.37535 2.38861 2.00039 -56.64690 652.01737
2040.0000 -59.46606 -57.58705 1.87901 1.97750 -56.84264 607.85891
2045.0000 -58.93793 -57.33152 1.60640 1.95458 -57.03857 559.73600
2050.0000 -58.98875 -56.58644 2.40230 1.97020 -56.90500 600.56897
2055.0000 -58.96510 -57.13742 1.82768 1.98252 -56.79970 629.48593
2060.0000 -58.91957 -56.81513 2.10443 1.96399 -56.95812 593.76814
2065.0000 -58.48396 -56.52420 1.95976 1.98896 -56.74462 640.23641
2070.0000 -58.67590 -57.03998 1.63592 1.98900 -56.74427 629.27373
2075.0000 -59.16133 -57.29696 1.86437 1.93155 -57.23547 586.04613
2080.0000 -58.75143 -56.95033 1.80110 1.93453 -57.21003 573.36626
2085.0000 -58.99269 -57.33288 1.65981 1.95424 -57.04151 609.82686
2090.0000 -59.57227 -58.05594 1.51633 1.89846 -57.51838 547.47551
2095.0000 -59.58434 -57.80566 1.77868 1.89280 -57.56678 542.45534
2100.0000 -59.18595 -56.82720 2.35875 1.91839 -57.34800 534.46074
2105.0000 -59.12740 -57.01968 2.10772 1.97006 -56.90624 619.61194
2110.0000 -58.94102 -56.92921 2.01182 1.93810 -57.17949 585.97083
2115.0000 -59.36482 -57.19609 2.16873 1.95242 -57.05703 593.82153
2120.0000 -59.15003 -57.52842 1.62161 1.94349 -57.13342 613.63744
2125.0000 -59.50841 -57.71661 1.79180 1.91726 -57.35770 595.86394
2130.0000 -59.14950 -57.03984 2.10966 1.92827 -57.26356 596.79590
2135.0000 -58.81397 -57.17867 1.63530 1.92659 -57.27788 584.67748
2140.0000 -58.85452 -56.65386 2.20067 1.95942 -56.99723 598.18238
2145.0000 -59.48012 -57.46595 2.01417 1.97112 -56.89717 637.54872
2150.0000 -58.56124 -56.45672 2.10453 1.95366 -57.04647 592.21107
2155.0000 -58.51256 -56.31385 2.19871 2.04650 -56.25265 689.11839
2160.0000 -57.64674 -56.11769 1.52905 2.04673 -56.25069 695.88822
2165.0000 -58.62994 -56.60937 2.02057 2.04919 -56.22970 682.89651
2170.0000 -58.43678 -57.02311 1.41367 1.96869 -56.91797 597.79931
2175.0000 -58.94613 -57.35982 1.58631 1.96654 -56.93628 616.69891
2180.0000 -58.75590 -57.03803 1.71786 1.93567 -57.20029 548.93911
2185.0000 -58.21937 -56.81968 1.39969 1.94956 -57.08146 556.43766
2190.0000 -59.40303 -57.41726 1.98578 1.92108 -57.32496 578.24787
2195.0000 -59.03923 -56.84127 2.19796 1.94921 -57.08446 589.95471
2200.0000 -59.07806 -56.69070 2.38736 2.02430 -56.44246 702.38377
2205.0000 -58.70952 -56.73996 1.96956 2.01366 -56.53341 650.43263
2210.0000 -59.19202 -57.07637 2.11565 1.94154 -57.15009 597.39328
2215.0000 -59.32354 -57.78164 1.54190 1.87258 -57.73964 534.64774
2220.0000 -59.34937 -57.19080 2.15857 1.93426 -57.21228 608.23513
2225.0000 -59.31841 -57.08241 2.23600 1.94583 -57.11335 590.54511
2230.0000 -58.56233 -55.97497 2.58736 2.01706 -56.50441 686.50548
2235.0000 -57.82361 -55.92984 1.89377 2.09826 -55.81011 743.45835
2240.0000 -59.00054 -57.01589 1.98464 2.01915 -56.48651 643.64833
2245.0000 -59.46184 -57.83072 1.63112 1.90139 -57.49332 537.60959
2250.0000 -59.67347 -57.75131 1.92216 1.88263 -57.65371 485.49940
MELTING PROCESS: loop number 10 T-loop= 634.00000000000000
main_MD> interactions number 10 at Temperature= 634.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.80703 -1.24257 -1.69225
force_rgl> df(natom) -0.82398 1.15318 -0.17154
2255.0000 -58.54944 -56.67288 1.87655 1.90990 -57.42055 551.60514
2260.0000 -58.68579 -56.56578 2.12001 1.97766 -56.84127 623.28115
2265.0000 -59.44265 -57.13208 2.31056 1.96916 -56.91391 618.92515
2270.0000 -59.32797 -56.71224 2.61573 1.96983 -56.90823 636.96464
2275.0000 -58.55091 -56.67672 1.87419 1.97349 -56.87691 611.61907
2280.0000 -59.48371 -57.64292 1.84078 1.94627 -57.10966 546.74755
2285.0000 -58.60015 -56.40164 2.19851 1.94941 -57.08274 624.06889
2290.0000 -58.42972 -56.00466 2.42506 2.06617 -56.08446 707.66483
2295.0000 -58.64755 -56.54978 2.09777 2.07208 -56.03400 729.18744
2300.0000 -58.75155 -56.79208 1.95947 2.01125 -56.55401 683.62563
2305.0000 -59.35266 -57.06977 2.28289 1.99082 -56.72869 622.86934
2310.0000 -58.74306 -56.80657 1.93648 1.93333 -57.22028 570.70067
2315.0000 -58.98095 -57.07461 1.90633 1.95516 -57.03361 552.57200
2320.0000 -58.83912 -57.12690 1.71222 1.94951 -57.08195 591.92192
2325.0000 -58.26206 -56.51858 1.74347 1.96331 -56.96395 600.65796
2330.0000 -58.84219 -56.39150 2.45069 2.02463 -56.43962 712.20227
2335.0000 -58.93366 -57.03780 1.89585 1.99072 -56.72959 645.92584
2340.0000 -59.70039 -57.77613 1.92425 1.92963 -57.25190 607.44929
2345.0000 -59.29107 -56.90724 2.38383 1.89135 -57.57920 582.25410
2350.0000 -59.03929 -56.72480 2.31449 1.98073 -56.81501 644.69925
2355.0000 -59.17026 -57.23852 1.93174 1.97501 -56.86390 673.58739
2360.0000 -58.83820 -56.80342 2.03478 1.99458 -56.69660 683.68808
2365.0000 -58.93957 -56.84882 2.09075 1.96924 -56.91319 622.32779
2370.0000 -58.30274 -56.37620 1.92654 2.01582 -56.51500 665.29616
2375.0000 -59.33279 -56.58614 2.74665 2.00032 -56.64749 626.66872
2380.0000 -59.55870 -57.60527 1.95343 1.95711 -57.01693 642.34048
2385.0000 -58.60888 -56.90058 1.70830 1.91652 -57.36396 601.30672
2390.0000 -58.85657 -57.27129 1.58529 1.93925 -57.16969 618.44440
2395.0000 -59.25385 -57.39419 1.85966 1.94982 -57.07926 622.12534
2400.0000 -59.95031 -58.03483 1.91548 1.91155 -57.40651 626.62932
2405.0000 -59.13871 -57.28289 1.85582 1.85910 -57.85495 533.34135
2410.0000 -59.43649 -56.68589 2.75060 1.93758 -57.18389 636.46558
2415.0000 -58.29235 -55.81501 2.47734 2.01419 -56.52888 708.56950
2420.0000 -58.26539 -55.82897 2.43642 2.08690 -55.90723 748.23999
2425.0000 -59.02057 -57.00865 2.01192 2.01437 -56.52742 675.20512
2430.0000 -59.50446 -57.61360 1.89086 1.91399 -57.38563 567.59946
2435.0000 -58.15447 -56.71723 1.43724 1.89017 -57.58930 559.61813
2440.0000 -59.22211 -57.19788 2.02423 1.95722 -57.01602 624.91588
2445.0000 -59.10903 -56.76851 2.34053 1.99638 -56.68122 667.16349
2450.0000 -58.80702 -56.70999 2.09703 2.00090 -56.64251 675.83189
2455.0000 -58.88853 -57.21311 1.67543 1.96274 -56.96878 617.12578
2460.0000 -58.16344 -56.47053 1.69291 1.99104 -56.72682 610.35062
2465.0000 -58.71537 -55.90397 2.81140 2.01308 -56.53840 662.51995
2470.0000 -58.61710 -56.47647 2.14063 2.02479 -56.43827 667.80332
2475.0000 -58.82214 -56.51315 2.30899 2.04253 -56.28657 691.86422
2480.0000 -58.66488 -56.43220 2.23269 2.02070 -56.47330 687.39182
2485.0000 -58.93166 -56.25033 2.68134 2.08324 -55.93853 742.42520
2490.0000 -58.81137 -57.16573 1.64564 1.98267 -56.79837 605.28185
2495.0000 -59.15450 -57.60719 1.54731 1.93266 -57.22599 578.37752
2500.0000 -59.50114 -57.73467 1.76647 1.91843 -57.34766 560.72506
MELTING PROCESS: loop number 11 T-loop= 659.00000000000000
main_MD> interactions number 11 at Temperature= 659.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00858 -1.59164 1.89844
force_rgl> df(natom) 0.54046 5.35594 0.86307
2505.0000 -59.18631 -57.01761 2.16869 1.95462 -57.03819 613.09567
2510.0000 -58.61494 -56.43936 2.17558 1.95880 -57.00249 616.08540
2515.0000 -58.50876 -56.00240 2.50636 2.01067 -56.55905 660.47275
2520.0000 -58.90784 -56.79825 2.10959 1.99647 -56.68040 617.37426
2525.0000 -58.56988 -56.21008 2.35980 2.03384 -56.36089 688.38680
2530.0000 -58.70807 -56.85011 1.85796 2.00440 -56.61265 640.35549
2535.0000 -58.87073 -57.09518 1.77555 1.96999 -56.90686 571.43579
2540.0000 -59.30922 -57.02639 2.28283 1.93427 -57.21223 595.22422
2545.0000 -58.84221 -57.01435 1.82786 1.95950 -56.99654 615.72599
2550.0000 -58.50246 -56.75647 1.74598 1.98777 -56.75485 631.03004
2555.0000 -58.16324 -56.18456 1.97868 1.98807 -56.75222 612.21950
2560.0000 -59.53977 -57.57920 1.96058 1.97726 -56.84470 610.65574
2565.0000 -58.75555 -56.66503 2.09052 1.96745 -56.92850 644.63056
2570.0000 -59.47063 -57.38783 2.08280 1.97130 -56.89563 620.90834
2575.0000 -58.84846 -57.18941 1.65905 1.95148 -57.06508 578.71045
2580.0000 -58.73566 -56.62891 2.10675 1.96771 -56.92629 569.81491
2585.0000 -58.94526 -56.39250 2.55276 1.97431 -56.86989 645.88717
2590.0000 -58.91167 -56.52332 2.38835 2.00510 -56.60660 685.14216
2595.0000 -59.45218 -57.05636 2.39582 1.98589 -56.77090 647.93856
2600.0000 -58.34008 -56.51887 1.82121 2.02379 -56.44685 738.86174
2605.0000 -58.87904 -56.85645 2.02258 2.00969 -56.56735 681.30826
2610.0000 -58.97251 -56.61054 2.36197 2.05464 -56.18305 702.01122
2615.0000 -59.36685 -56.99697 2.36988 1.96459 -56.95302 665.68276
2620.0000 -58.50445 -56.48674 2.01770 2.00398 -56.61619 660.77360
2625.0000 -59.06222 -56.15514 2.90708 2.05540 -56.17657 718.22578
2630.0000 -58.41696 -56.09735 2.31961 2.04405 -56.27364 687.97464
2635.0000 -57.74306 -55.89760 1.84546 2.04657 -56.25204 711.26044
2640.0000 -58.32704 -56.37728 1.94975 2.03875 -56.31896 670.68491
2645.0000 -59.07027 -57.08444 1.98583 1.98964 -56.73878 620.57664
2650.0000 -59.10728 -57.38249 1.72479 1.95219 -57.05897 586.99623
2655.0000 -58.79241 -56.84005 1.95236 1.97713 -56.84576 611.43990
2660.0000 -59.06350 -56.86642 2.19708 1.97320 -56.87935 618.45329
2665.0000 -58.73072 -56.93311 1.79761 1.97934 -56.82685 619.63134
2670.0000 -59.08802 -56.59543 2.49259 1.99340 -56.70665 628.50286
2675.0000 -59.16705 -56.33475 2.83230 2.00505 -56.60710 664.28413
2680.0000 -58.21922 -55.97841 2.24082 2.08929 -55.88683 769.67023
2685.0000 -58.36003 -55.39273 2.96729 2.09598 -55.82959 719.96490
2690.0000 -58.05982 -55.98366 2.07616 2.11753 -55.64540 771.20472
2695.0000 -58.26473 -56.00967 2.25506 2.04163 -56.29430 691.01241
2700.0000 -57.94428 -55.88592 2.05836 2.10461 -55.75586 746.26074
2705.0000 -57.88470 -55.23128 2.65342 2.12277 -55.60060 774.97715
2710.0000 -57.66207 -55.16442 2.49765 2.19095 -55.01766 862.91502
2715.0000 -59.04088 -56.53217 2.50871 2.12225 -55.60503 758.08259
2720.0000 -58.42175 -55.77613 2.64562 2.02968 -56.39649 699.18536
2725.0000 -58.79165 -56.34581 2.44584 2.03879 -56.31861 696.33098
2730.0000 -58.71542 -56.63139 2.08404 2.04974 -56.22500 677.16422
2735.0000 -58.12177 -55.96188 2.15989 2.02132 -56.46799 660.37313
2740.0000 -58.47479 -56.78138 1.69340 2.04154 -56.29504 659.93435
2745.0000 -58.23567 -55.49256 2.74312 2.04083 -56.30116 673.29069
2750.0000 -58.41323 -56.19248 2.22076 2.11867 -55.63559 766.50060
MELTING PROCESS: loop number 12 T-loop= 684.00000000000000
main_MD> interactions number 12 at Temperature= 684.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.49584 2.27921 -1.84006
force_rgl> df(natom) 0.81873 -1.30991 1.04476
2755.0000 -58.04451 -55.86964 2.17487 2.05208 -56.20499 680.16035
2760.0000 -57.60582 -55.78341 1.82241 2.09262 -55.85832 739.88097
2765.0000 -57.95480 -55.30281 2.65199 2.16164 -55.26821 781.17844
2770.0000 -59.31397 -56.60931 2.70466 2.07622 -55.99853 725.16538
2775.0000 -58.79339 -56.14959 2.64380 2.04024 -56.30619 720.00554
2780.0000 -58.95556 -56.54133 2.41424 2.01146 -56.55227 627.46899
2785.0000 -59.26262 -57.48930 1.77332 1.92055 -57.32952 584.77289
2790.0000 -58.34960 -56.36015 1.98945 1.97164 -56.89275 604.92586
2795.0000 -58.16539 -55.97500 2.19039 2.15216 -55.34933 789.06765
2800.0000 -58.74672 -56.17977 2.56695 2.07105 -56.04275 700.16589
2805.0000 -58.52821 -56.28221 2.24600 2.02768 -56.41355 646.00034
2810.0000 -57.98034 -55.94510 2.03524 2.09003 -55.88051 728.11619
2815.0000 -58.09018 -55.90119 2.18899 2.04918 -56.22975 691.91458
2820.0000 -58.05799 -55.48831 2.56968 2.10662 -55.73863 739.89820
2825.0000 -59.40065 -57.04330 2.35735 2.02771 -56.41329 684.11858
2830.0000 -58.73051 -55.98654 2.74397 1.97207 -56.88900 616.86240
2835.0000 -58.26163 -56.17436 2.08726 2.03157 -56.38035 681.45595
2840.0000 -57.95674 -55.88372 2.07302 2.07183 -56.03610 705.01361
2845.0000 -57.83346 -55.32863 2.50483 2.09185 -55.86491 726.81434
2850.0000 -58.02683 -55.68331 2.34352 2.15138 -55.35592 774.71857
2855.0000 -57.74218 -55.29649 2.44569 2.16377 -55.25003 806.22571
2860.0000 -58.76534 -56.73714 2.02819 2.07167 -56.03743 716.26783
2865.0000 -58.65603 -56.38826 2.26777 2.01703 -56.50461 694.11962
2870.0000 -58.48497 -56.98444 1.50053 2.00693 -56.59096 656.40850
2875.0000 -59.26661 -56.81601 2.45060 1.97570 -56.85801 612.99333
2880.0000 -58.79927 -57.08269 1.71658 1.98191 -56.80487 649.29466
2885.0000 -59.19386 -57.18471 2.00915 1.95505 -57.03453 616.99342
2890.0000 -58.64884 -56.44991 2.19893 1.96529 -56.94697 625.80642
2895.0000 -58.75172 -57.06492 1.68680 2.00947 -56.56923 669.18774
2900.0000 -58.88482 -56.61735 2.26747 1.96874 -56.91748 634.86205
2905.0000 -58.87816 -56.94870 1.92946 1.97429 -56.87004 646.73243
2910.0000 -58.95282 -57.28631 1.66652 1.94952 -57.08187 632.88482
2915.0000 -59.07650 -56.96086 2.11564 1.96022 -56.99040 650.10584
2920.0000 -58.60939 -56.19353 2.41586 1.97818 -56.83682 662.01425
2925.0000 -58.02699 -55.37791 2.64907 2.09162 -55.86693 693.40432
2930.0000 -58.42842 -56.14646 2.28196 2.11737 -55.64676 750.00473
2935.0000 -58.41169 -56.20933 2.20236 2.07226 -56.03240 743.06288
2940.0000 -59.06374 -56.50994 2.55380 2.00996 -56.56507 657.90898
2945.0000 -57.89114 -55.91795 1.97319 2.02917 -56.40086 665.26449
2950.0000 -58.77125 -56.35514 2.41612 2.11614 -55.65722 748.82202
2955.0000 -58.38991 -55.85860 2.53131 2.04011 -56.30729 685.05406
2960.0000 -57.17913 -55.04929 2.12983 2.11792 -55.64208 765.28056
2965.0000 -57.94180 -54.47652 3.46527 2.21043 -54.85110 853.75401
2970.0000 -58.57853 -55.42439 3.15414 2.23490 -54.64184 944.84623
2975.0000 -58.10132 -55.60741 2.49390 2.15073 -55.36153 783.00920
2980.0000 -57.83792 -55.01311 2.82482 2.13029 -55.53630 777.34274
2985.0000 -57.65296 -55.41310 2.23986 2.15475 -55.32716 804.60066
2990.0000 -58.70832 -55.96971 2.73861 2.09445 -55.84274 744.89466
2995.0000 -58.74980 -56.77244 1.97737 2.00592 -56.59961 672.61635
3000.0000 -58.47558 -56.36056 2.11502 2.03660 -56.33728 692.61465
MELTING PROCESS: loop number 13 T-loop= 709.00000000000000
main_MD> interactions number 13 at Temperature= 709.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.93428 -0.27543 -1.10507
force_rgl> df(natom) 2.91224 -7.52647 3.30815
3005.0000 -57.65469 -55.37592 2.27877 2.10233 -55.77534 765.14736
3010.0000 -58.19053 -55.87510 2.31543 2.10675 -55.73750 776.89410
3015.0000 -57.67767 -54.92458 2.75310 2.15018 -55.36625 768.71480
3020.0000 -58.32231 -55.78947 2.53284 2.19159 -55.01215 797.87722
3025.0000 -57.53319 -55.11227 2.42092 2.12460 -55.58488 789.20817
3030.0000 -58.34871 -55.71981 2.62890 2.17875 -55.12197 820.12817
3035.0000 -58.59356 -56.07205 2.52151 2.05379 -56.19035 661.04827
3040.0000 -58.73254 -56.27236 2.46018 2.03780 -56.32702 681.10427
3045.0000 -58.37357 -55.95777 2.41580 2.03331 -56.36547 669.36751
3050.0000 -58.83438 -56.20143 2.63295 2.04165 -56.29418 693.99755
3055.0000 -58.92065 -56.76201 2.15864 2.05975 -56.13941 735.35355
3060.0000 -58.76965 -56.93202 1.83763 1.98116 -56.81130 629.07010
3065.0000 -57.64143 -55.07142 2.57001 2.08067 -55.96054 741.32149
3070.0000 -58.25722 -56.21839 2.03883 2.08313 -55.93948 738.00719
3075.0000 -59.46805 -57.61275 1.85531 2.02653 -56.42340 684.36703
3080.0000 -59.79177 -57.76267 2.02909 1.88960 -57.59419 543.13597
3085.0000 -58.86966 -56.71598 2.15368 1.93257 -57.22678 605.45984
3090.0000 -57.96830 -55.75489 2.21342 2.04089 -56.30063 688.57273
3095.0000 -58.72888 -55.90387 2.82501 2.13227 -55.51935 814.37586
3100.0000 -58.83307 -56.44446 2.38861 2.05055 -56.21806 708.91193
3105.0000 -59.04317 -56.72663 2.31654 2.00907 -56.57272 649.86265
3110.0000 -58.56523 -56.10742 2.45781 2.05087 -56.21533 730.00950
3115.0000 -58.68089 -56.73674 1.94415 2.04858 -56.23487 673.40895
3120.0000 -57.73459 -55.32515 2.40944 2.07815 -55.98208 740.30822
3125.0000 -58.07144 -55.98890 2.08253 2.13801 -55.47023 799.91180
3130.0000 -58.56204 -56.25427 2.30777 2.08473 -55.92582 786.69251
3135.0000 -59.11771 -56.54177 2.57595 1.98133 -56.80990 658.44726
3140.0000 -58.94400 -56.54079 2.40321 2.00424 -56.61395 689.45181
3145.0000 -57.92947 -56.01068 1.91880 2.01122 -56.55431 658.47792
3150.0000 -58.93998 -57.07460 1.86537 2.00101 -56.64163 658.49568
3155.0000 -57.86879 -55.35335 2.51544 1.99872 -56.66122 657.87517
3160.0000 -57.77585 -54.23070 3.54516 2.25115 -54.50294 916.63213
3165.0000 -57.43707 -55.67605 1.76102 2.20006 -54.93972 817.00682
3170.0000 -58.16891 -55.69380 2.47511 2.11099 -55.70129 773.22897
3175.0000 -59.06101 -56.43683 2.62418 2.09526 -55.83580 751.19002
3180.0000 -58.87481 -56.70884 2.16597 1.99187 -56.71979 678.23976
3185.0000 -59.13068 -56.66803 2.46265 1.97712 -56.84589 663.71551
3190.0000 -58.01744 -56.17800 1.83944 2.06689 -56.07833 714.48340
3195.0000 -58.15200 -55.15909 2.99291 2.10029 -55.79277 793.69296
3200.0000 -58.03982 -55.93898 2.10084 2.14883 -55.37777 836.75449
3205.0000 -59.13953 -57.05611 2.08342 1.97804 -56.83799 603.18629
3210.0000 -58.63504 -56.69175 1.94329 1.98162 -56.80741 608.54241
3215.0000 -58.71345 -56.58365 2.12981 2.01663 -56.50810 677.95314
3220.0000 -58.80277 -56.92776 1.87501 1.99514 -56.69182 635.53854
3225.0000 -58.79217 -56.42685 2.36532 1.93988 -57.16423 622.41577
3230.0000 -59.18547 -57.21620 1.96928 1.95106 -57.06865 622.99216
3235.0000 -58.54344 -56.19108 2.35236 1.98278 -56.79748 643.14023
3240.0000 -58.59883 -56.22695 2.37187 2.10315 -55.76829 756.53106
3245.0000 -57.97950 -56.24313 1.73637 2.03995 -56.30868 712.52191
3250.0000 -58.35678 -55.95986 2.39692 2.04669 -56.25102 708.66436
MELTING PROCESS: loop number 14 T-loop= 734.00000000000000
main_MD> interactions number 14 at Temperature= 734.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.06681 3.66056 -1.46571
force_rgl> df(natom) 0.45347 -1.33389 -2.23229
3255.0000 -57.72294 -55.87705 1.84589 2.08348 -55.93650 701.97187
3260.0000 -58.11783 -55.74660 2.37123 2.08245 -55.94530 753.87481
3265.0000 -57.98503 -55.48235 2.50268 2.11019 -55.70816 719.45423
3270.0000 -58.03238 -56.35739 1.67499 2.12162 -55.61044 729.92059
3275.0000 -58.57206 -56.10857 2.46349 2.04662 -56.25163 702.66692
3280.0000 -59.05432 -56.66632 2.38800 2.00915 -56.57199 691.53169
3285.0000 -58.45358 -56.68275 1.77083 2.00291 -56.62534 674.46550
3290.0000 -59.32285 -57.66513 1.65773 1.96121 -56.98189 611.30132
3295.0000 -58.55348 -56.65864 1.89484 1.95629 -57.02393 598.18853
3300.0000 -58.05045 -56.00857 2.04189 2.01997 -56.47949 673.86340
3305.0000 -58.76464 -56.83636 1.92828 1.99120 -56.72549 645.96629
3310.0000 -59.07013 -56.34961 2.72052 1.98024 -56.81921 665.30571
3315.0000 -57.99864 -56.42775 1.57089 2.04208 -56.29044 679.18805
3320.0000 -58.04915 -55.58651 2.46264 2.05658 -56.16646 668.91139
3325.0000 -58.70427 -55.26065 3.44362 2.17052 -55.19228 834.05561
3330.0000 -57.29285 -54.55287 2.73998 2.17704 -55.13656 826.10808
3335.0000 -58.93437 -57.16935 1.76502 2.12807 -55.55524 790.64919
3340.0000 -58.18268 -55.71941 2.46328 2.03859 -56.32031 698.82931
3345.0000 -58.68718 -56.01096 2.67621 2.05902 -56.14560 720.38623
3350.0000 -58.97133 -56.08828 2.88305 2.12060 -55.61909 737.70215
3355.0000 -57.57881 -55.15309 2.42573 2.12978 -55.54068 733.58896
3360.0000 -58.21218 -55.52815 2.68403 2.20471 -54.89997 838.56958
3365.0000 -57.36404 -55.20255 2.16148 2.17500 -55.15403 800.38811
3370.0000 -57.42813 -55.04299 2.38514 2.19824 -54.95535 834.95727
3375.0000 -57.65995 -55.10805 2.55190 2.17354 -55.16646 775.67098
3380.0000 -57.74999 -54.85122 2.89877 2.19339 -54.99675 867.99886
3385.0000 -57.10769 -55.10726 2.00043 2.17330 -55.16856 799.27479
3390.0000 -58.14434 -55.44198 2.70236 2.12777 -55.55785 782.01147
3395.0000 -57.99531 -55.39714 2.59816 2.11988 -55.62528 765.53991
3400.0000 -58.39719 -56.90640 1.49079 2.08368 -55.93479 729.80920
3405.0000 -58.63097 -56.77735 1.85362 1.99197 -56.71887 640.39873
3410.0000 -58.61063 -56.42816 2.18247 2.02438 -56.44180 655.94210
3415.0000 -58.32387 -56.64284 1.68103 2.01492 -56.52265 674.29334
3420.0000 -58.46439 -56.62617 1.83822 1.96134 -56.98079 567.83510
3425.0000 -58.89459 -56.90383 1.99076 2.00028 -56.64784 666.49959
3430.0000 -58.71320 -56.74062 1.97258 2.02053 -56.47467 649.81815
3435.0000 -58.89438 -56.71566 2.17872 1.99602 -56.68424 661.54355
3440.0000 -58.65147 -56.62941 2.02206 2.00993 -56.56532 680.95076
3445.0000 -58.78961 -56.83116 1.95845 2.00589 -56.59991 599.34291
3450.0000 -58.41504 -56.35832 2.05672 2.04461 -56.26879 687.42202
3455.0000 -58.37876 -55.97445 2.40431 2.06730 -56.07488 706.50996
3460.0000 -58.30226 -56.12870 2.17356 2.06700 -56.07740 714.86825
3465.0000 -59.23982 -57.16522 2.07459 2.01961 -56.48259 665.27568
3470.0000 -58.78667 -56.55933 2.22734 1.99784 -56.66868 678.33263
3475.0000 -58.03803 -55.78750 2.25053 2.05322 -56.19523 727.89237
3480.0000 -59.11534 -56.37747 2.73787 2.06662 -56.08069 753.56265
3485.0000 -58.87354 -56.78046 2.09308 1.98798 -56.75301 674.25952
3490.0000 -58.95546 -56.09560 2.85986 2.06955 -56.05558 722.71939
3495.0000 -57.81004 -55.66753 2.14251 2.07175 -56.03676 782.19634
3500.0000 -57.81608 -54.22442 3.59166 2.17398 -55.16272 789.52686
MELTING PROCESS: loop number 15 T-loop= 759.00000000000000
main_MD> interactions number 15 at Temperature= 759.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.96740 -3.25374 -3.42340
force_rgl> df(natom) -1.39477 -2.62767 1.20078
3505.0000 -58.06082 -55.44028 2.62054 2.24432 -54.56130 870.32407
3510.0000 -57.71325 -54.53466 3.17859 2.19747 -54.96187 851.96929
3515.0000 -58.32332 -55.68212 2.64120 2.17149 -55.18406 770.63254
3520.0000 -58.47706 -55.88877 2.58829 2.09103 -55.87198 708.75853
3525.0000 -58.07569 -56.30960 1.76609 2.03279 -56.36987 654.50161
3530.0000 -58.15950 -56.32667 1.83282 2.04091 -56.30051 667.64125
3535.0000 -58.22751 -55.61945 2.60806 2.07860 -55.97824 702.21978
3540.0000 -58.00694 -56.10001 1.90693 2.09752 -55.81646 699.06267
3545.0000 -58.33358 -55.36365 2.96993 2.08171 -55.95162 759.20828
3550.0000 -57.18363 -54.45149 2.73215 2.18110 -55.10190 849.63533
3555.0000 -57.80914 -55.01808 2.79106 2.22338 -54.74039 851.85695
3560.0000 -58.32496 -55.91390 2.41106 2.10189 -55.77912 766.76926
3565.0000 -57.57892 -55.38256 2.19636 2.11292 -55.68481 769.39010
3570.0000 -58.11470 -55.89809 2.21660 2.17679 -55.13868 790.99525
3575.0000 -57.55974 -55.01342 2.54632 2.19448 -54.98748 866.97219
3580.0000 -58.82205 -56.01587 2.80618 2.14952 -55.37186 787.05634
3585.0000 -58.53770 -55.94394 2.59376 2.10369 -55.76367 784.73021
3590.0000 -57.95666 -54.96792 2.98874 2.14678 -55.39532 814.52225
3595.0000 -58.15244 -54.70758 3.44486 2.23935 -54.60383 874.95402
3600.0000 -57.13767 -54.73192 2.40576 2.21933 -54.77501 853.47296
3605.0000 -58.50921 -55.47836 3.03085 2.17830 -55.12576 784.70855
3610.0000 -57.74532 -55.17820 2.56712 2.11745 -55.64605 800.09568
3615.0000 -56.42028 -53.67250 2.74777 2.25958 -54.43089 896.40309
3620.0000 -56.72746 -52.96566 3.76180 2.36831 -53.50122 1001.45998
3625.0000 -57.61917 -55.20176 2.41741 2.33461 -53.78939 1034.65278
3630.0000 -57.19352 -54.57543 2.61808 2.21450 -54.81630 841.32138
3635.0000 -57.77177 -55.09300 2.67877 2.21859 -54.78133 934.84367
3640.0000 -58.72297 -55.63364 3.08933 2.10388 -55.76209 754.88526
3645.0000 -57.34505 -55.36563 1.97942 2.09752 -55.81645 731.81407
3650.0000 -58.90117 -56.24558 2.65559 2.12786 -55.55703 796.28056
3655.0000 -57.99172 -56.27443 1.71729 2.04756 -56.24359 707.70210
3660.0000 -59.11048 -56.26353 2.84694 2.00437 -56.61288 694.26725
3665.0000 -58.39227 -55.60166 2.79061 2.12196 -55.60753 776.20814
3670.0000 -57.99254 -56.09575 1.89679 2.14750 -55.38912 778.97804
3675.0000 -58.92304 -56.18694 2.73610 2.03752 -56.32947 722.04007
3680.0000 -58.64747 -56.58416 2.06331 2.05125 -56.21207 712.06958
3685.0000 -58.83204 -56.17203 2.66001 2.05442 -56.18494 689.77809
3690.0000 -58.17894 -56.07251 2.10643 2.05754 -56.15831 722.55524
3695.0000 -58.62033 -56.47577 2.14456 2.04516 -56.26416 684.17917
3700.0000 -58.29037 -55.64987 2.64050 2.06723 -56.07547 728.47904
3705.0000 -58.32334 -55.74185 2.58149 2.08096 -55.95807 734.97553
3710.0000 -57.66639 -55.15270 2.51369 2.13397 -55.50485 782.79694
3715.0000 -58.06904 -55.64067 2.42837 2.18330 -55.08303 839.00910
3720.0000 -58.02757 -55.31576 2.71181 2.10458 -55.75612 766.97764
3725.0000 -57.82777 -56.17746 1.65031 2.12293 -55.59924 782.69859
3730.0000 -57.82114 -55.21226 2.60888 2.11818 -55.63979 752.62021
3735.0000 -57.96333 -55.45278 2.51055 2.15841 -55.29582 771.88798
3740.0000 -57.96179 -55.09222 2.86958 2.14126 -55.44245 761.16172
3745.0000 -57.08307 -54.36764 2.71542 2.24083 -54.59117 943.02556
3750.0000 -57.55450 -55.08257 2.47192 2.22320 -54.74188 823.17589
MELTING PROCESS: loop number 16 T-loop= 784.00000000000000
main_MD> interactions number 16 at Temperature= 784.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.34491 0.97659 1.51156
force_rgl> df(natom) 7.06947 1.45956 1.34468
3755.0000 -58.31387 -55.80941 2.50446 2.16347 -55.25256 810.42096
3760.0000 -57.93059 -55.40508 2.52551 2.09789 -55.81333 709.01351
3765.0000 -57.82345 -55.01968 2.80378 2.15292 -55.34281 821.43330
3770.0000 -58.22034 -55.28519 2.93515 2.17135 -55.18525 822.19241
3775.0000 -57.64959 -54.78395 2.86564 2.16530 -55.23698 803.64611
3780.0000 -57.37255 -55.45577 1.91678 2.20486 -54.89874 832.77435
3785.0000 -58.55621 -56.12808 2.42812 2.14862 -55.37956 814.45145
3790.0000 -57.80403 -54.96729 2.83674 2.15511 -55.32405 744.90817
3795.0000 -58.36680 -55.65684 2.70996 2.13670 -55.48144 793.49897
3800.0000 -56.79440 -54.86428 1.93013 2.20726 -54.87823 869.96812
3805.0000 -57.99988 -55.28742 2.71246 2.23136 -54.67218 819.78569
3810.0000 -57.64633 -55.16826 2.47807 2.16126 -55.27146 812.98362
3815.0000 -57.32147 -54.82033 2.50114 2.18413 -55.07596 851.65489
3820.0000 -57.87660 -55.50469 2.37191 2.19009 -55.02496 842.16350
3825.0000 -58.60351 -56.12794 2.47557 2.08233 -55.94635 733.05074
3830.0000 -58.33574 -56.15151 2.18423 2.03459 -56.35447 707.40414
3835.0000 -58.45310 -56.60616 1.84694 2.03237 -56.37346 687.65558
3840.0000 -57.95087 -55.60296 2.34791 2.06744 -56.07367 731.12458
3845.0000 -57.92566 -55.35450 2.57116 2.14916 -55.37493 825.34576
3850.0000 -57.76582 -55.51275 2.25306 2.07833 -55.98054 708.80741
3855.0000 -57.20285 -54.17383 3.02901 2.19515 -54.98177 815.12108
3860.0000 -57.08256 -54.78900 2.29356 2.20287 -54.91570 809.16690
3865.0000 -58.26021 -55.75753 2.50268 2.19477 -54.98502 828.41278
3870.0000 -58.70608 -56.13168 2.57440 2.09703 -55.82061 746.81629
3875.0000 -58.37579 -56.47759 1.89820 2.02261 -56.45689 664.71876
3880.0000 -57.25423 -54.58610 2.66813 2.17003 -55.19647 822.37312
3885.0000 -58.58887 -55.08716 3.50171 2.20827 -54.86957 857.46344
3890.0000 -57.97803 -55.54829 2.42974 2.16907 -55.20469 864.90483
3895.0000 -58.29022 -55.72890 2.56132 2.15904 -55.29045 794.26869
3900.0000 -58.06081 -54.74743 3.31338 2.06951 -56.05595 706.98208
3905.0000 -57.03478 -54.43004 2.60473 2.25241 -54.49218 901.19246
3910.0000 -58.19994 -55.22015 2.97978 2.23583 -54.63395 888.52861
3915.0000 -57.72557 -55.13191 2.59365 2.07985 -55.96755 732.85745
3920.0000 -58.45615 -56.05282 2.40334 2.09123 -55.87021 751.23744
3925.0000 -57.77138 -55.01028 2.76110 2.14583 -55.40345 808.99352
3930.0000 -58.43541 -55.82484 2.61058 2.16323 -55.25465 852.08072
3935.0000 -58.52159 -55.44339 3.07820 2.12150 -55.61141 813.73979
3940.0000 -58.50443 -55.79017 2.71426 2.14540 -55.40710 790.12864
3945.0000 -58.30040 -54.99002 3.31038 2.23252 -54.66226 862.12657
3950.0000 -57.85414 -55.60239 2.25175 2.11826 -55.63910 821.42839
3955.0000 -58.62541 -56.09730 2.52812 2.10081 -55.78832 762.38962
3960.0000 -58.31957 -56.81489 1.50468 2.02867 -56.40509 656.64145
3965.0000 -58.07419 -55.86874 2.20544 2.08816 -55.89646 729.70908
3970.0000 -59.01246 -55.71209 3.30037 2.07239 -56.03131 716.80319
3975.0000 -57.96224 -56.14718 1.81506 2.05692 -56.16356 679.88410
3980.0000 -58.46459 -55.09825 3.36634 2.14295 -55.42804 798.66228
3985.0000 -58.59893 -56.23922 2.35971 2.04361 -56.27735 692.23250
3990.0000 -58.74029 -55.45647 3.28382 2.09454 -55.84190 718.61277
3995.0000 -57.88304 -56.09471 1.78834 2.10114 -55.78548 755.85659
4000.0000 -57.68096 -55.07491 2.60604 2.11869 -55.63547 765.25772
MELTING PROCESS: loop number 17 T-loop= 809.00000000000000
main_MD> interactions number 17 at Temperature= 809.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.48678 -2.13364 -4.55038
force_rgl> df(natom) -0.19487 2.25189 1.67783
4005.0000 -57.06473 -54.03099 3.03374 2.23628 -54.63006 832.80970
4010.0000 -57.36203 -54.67049 2.69154 2.28252 -54.23474 906.95666
4015.0000 -57.44811 -55.00879 2.43932 2.21073 -54.84849 876.03447
4020.0000 -57.56469 -55.46539 2.09931 2.20529 -54.89504 790.83351
4025.0000 -58.01735 -55.50814 2.50921 2.09966 -55.79815 688.42281
4030.0000 -58.54968 -55.63280 2.91688 2.17127 -55.18587 801.37900
4035.0000 -58.08645 -55.42686 2.65958 2.16063 -55.27688 812.32361
4040.0000 -58.52515 -56.17383 2.35132 2.08659 -55.90989 740.22629
4045.0000 -57.37835 -55.48917 1.88918 2.09347 -55.85111 705.19818
4050.0000 -57.31983 -55.10517 2.21466 2.18981 -55.02735 830.65728
4055.0000 -57.58828 -54.30152 3.28676 2.17504 -55.15366 788.47021
4060.0000 -56.10383 -52.74979 3.35405 2.36406 -53.53759 974.84524
4065.0000 -57.46877 -55.13298 2.33579 2.30544 -54.03879 892.48349
4070.0000 -57.90111 -55.85328 2.04784 2.13513 -55.49492 762.15353
4075.0000 -58.64550 -55.76874 2.87676 2.11002 -55.70958 735.99800
4080.0000 -58.60362 -56.70228 1.90134 2.00787 -56.58299 659.65269
4085.0000 -57.62668 -55.27887 2.34781 2.08848 -55.89374 753.10496
4090.0000 -57.43905 -54.88706 2.55199 2.20848 -54.86779 883.40757
4095.0000 -58.08900 -54.43493 3.65407 2.16870 -55.20787 817.86098
4100.0000 -58.20445 -55.83401 2.37044 2.13889 -55.46277 736.98418
4105.0000 -57.76806 -55.01024 2.75782 2.11410 -55.67472 752.07657
4110.0000 -58.12240 -54.53986 3.58254 2.19324 -54.99806 875.75940
4115.0000 -58.02534 -55.44675 2.57860 2.15214 -55.34942 816.46517
4120.0000 -58.20819 -55.27635 2.93185 2.17224 -55.17765 770.47792
4125.0000 -58.57087 -55.78220 2.78867 2.12594 -55.57344 800.35076
4130.0000 -57.51214 -54.94942 2.56272 2.15911 -55.28987 833.17504
4135.0000 -57.67596 -55.73084 1.94512 2.15972 -55.28467 819.25695
4140.0000 -57.98098 -56.07165 1.90933 2.08114 -55.95654 731.80740
4145.0000 -58.12056 -55.87007 2.25049 2.10746 -55.73151 761.25489
4150.0000 -58.33276 -55.12785 3.20491 2.13395 -55.50498 787.51111
4155.0000 -57.84636 -54.78583 3.06053 2.16347 -55.25263 807.95159
4160.0000 -56.95702 -54.29475 2.66227 2.25658 -54.45654 874.74390
4165.0000 -56.67475 -54.20391 2.47084 2.27928 -54.26246 942.73940
4170.0000 -57.73057 -55.29317 2.43740 2.21715 -54.79365 889.98187
4175.0000 -58.28532 -55.63260 2.65272 2.11375 -55.67766 765.79834
4180.0000 -57.42730 -55.38384 2.04346 2.11438 -55.67229 770.87028
4185.0000 -58.02352 -55.74326 2.28026 2.10617 -55.74248 756.51796
4190.0000 -57.72151 -55.07552 2.64599 2.12643 -55.56926 745.75912
4195.0000 -57.70547 -55.51685 2.18862 2.21012 -54.85375 855.24232
4200.0000 -57.80212 -55.42957 2.37256 2.13905 -55.46134 753.16387
4205.0000 -58.19405 -55.78030 2.41375 2.09650 -55.82516 766.37463
4210.0000 -57.24969 -54.69092 2.55878 2.15568 -55.31916 813.20480
4215.0000 -56.98849 -53.98182 3.00668 2.25921 -54.43402 852.58742
4220.0000 -57.41136 -54.49998 2.91138 2.29359 -54.14009 935.72513
4225.0000 -57.67462 -55.02083 2.65379 2.26260 -54.40500 856.39479
4230.0000 -57.96255 -55.65220 2.31036 2.12663 -55.56753 765.66219
4235.0000 -57.92544 -55.29610 2.62934 2.15095 -55.35966 807.41955
4240.0000 -57.18455 -54.33973 2.84482 2.23131 -54.67258 846.02585
4245.0000 -57.76861 -55.17637 2.59225 2.19210 -55.00777 888.84621
4250.0000 -56.97703 -53.72976 3.24727 2.26780 -54.36062 915.45042
MELTING PROCESS: loop number 18 T-loop= 834.00000000000000
main_MD> interactions number 18 at Temperature= 834.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.19467 -0.85805 -0.69417
force_rgl> df(natom) -0.91448 -4.03431 -2.10210
4255.0000 -57.61206 -55.09194 2.52012 2.27088 -54.33422 878.13554
4260.0000 -58.16925 -55.67186 2.49740 2.16990 -55.19763 800.18851
4265.0000 -57.43346 -54.84857 2.58489 2.16246 -55.26124 795.79905
4270.0000 -58.23992 -54.92574 3.31418 2.21929 -54.77530 873.61816
4275.0000 -58.11901 -55.93257 2.18644 2.13289 -55.51406 773.30949
4280.0000 -58.48062 -55.12644 3.35418 2.12057 -55.61939 790.37846
4285.0000 -58.92307 -56.73419 2.18888 2.05906 -56.14531 705.97867
4290.0000 -58.15970 -55.95774 2.20197 2.01382 -56.53210 663.08668
4295.0000 -58.07195 -55.15152 2.92044 2.16512 -55.23850 865.05665
4300.0000 -58.30217 -56.38273 1.91943 2.13328 -55.51072 828.62179
4305.0000 -57.99603 -55.98812 2.00791 2.12552 -55.57707 802.59739
4310.0000 -58.34512 -55.89599 2.44914 2.06007 -56.13665 731.92175
4315.0000 -57.89709 -55.53489 2.36220 2.10773 -55.72915 753.58741
4320.0000 -58.80821 -55.81939 2.98883 2.07935 -55.97178 767.84104
4325.0000 -57.99662 -55.41703 2.57958 2.07754 -55.98727 752.65286
4330.0000 -58.32973 -56.46911 1.86062 2.12546 -55.57757 800.39722
4335.0000 -58.18930 -55.64268 2.54661 2.11431 -55.67292 791.15493
4340.0000 -58.38017 -55.06540 3.31476 2.14639 -55.39864 797.17743
4345.0000 -58.43175 -55.80808 2.62368 2.09028 -55.87835 740.08246
4350.0000 -58.69790 -56.22863 2.46927 2.07441 -56.01408 713.91814
4355.0000 -58.08884 -55.15039 2.93846 2.08847 -55.89383 709.12681
4360.0000 -57.56422 -54.95927 2.60495 2.18663 -55.05458 846.27210
4365.0000 -58.67058 -55.86341 2.80717 2.14398 -55.41925 841.69500
4370.0000 -57.86691 -55.22202 2.64489 2.14909 -55.37550 805.49563
4375.0000 -58.32319 -56.26515 2.05804 2.06758 -56.07241 743.56581
4380.0000 -58.01158 -55.31543 2.69615 2.06539 -56.09116 728.58929
4385.0000 -57.77092 -54.66194 3.10898 2.25575 -54.46362 911.37263
4390.0000 -58.10516 -55.90691 2.19825 2.17725 -55.13476 831.21548
4395.0000 -57.76763 -55.02305 2.74458 2.13071 -55.53265 820.24730
4400.0000 -57.72375 -55.30196 2.42179 2.17802 -55.12819 836.28112
4405.0000 -58.97931 -57.10264 1.87668 2.02940 -56.39887 698.67965
4410.0000 -58.07875 -55.21501 2.86373 2.01877 -56.48976 670.23702
4415.0000 -56.34582 -53.22156 3.12427 2.23089 -54.67614 911.53880
4420.0000 -57.78499 -54.64173 3.14325 2.26848 -54.35473 949.07490
4425.0000 -58.56152 -55.91655 2.64496 2.19205 -55.00827 860.47248
4430.0000 -57.52581 -54.99014 2.53567 2.13260 -55.51656 757.07621
4435.0000 -58.00030 -55.13146 2.86884 2.23151 -54.67082 855.40565
4440.0000 -56.92848 -54.51379 2.41469 2.22168 -54.75493 867.53740
4445.0000 -57.74102 -54.71214 3.02889 2.25090 -54.50509 861.15629
4450.0000 -57.69734 -54.45617 3.24117 2.18704 -55.05106 846.44884
4455.0000 -58.76249 -55.83288 2.92961 2.17875 -55.12192 796.45811
4460.0000 -58.76123 -55.56474 3.19649 2.09265 -55.85812 754.56798
4465.0000 -58.04485 -55.66716 2.37769 2.07475 -56.01114 761.23642
4470.0000 -57.38761 -54.94113 2.44648 2.10624 -55.74188 724.00433
4475.0000 -58.87503 -55.91516 2.95987 2.17523 -55.15203 844.81883
4480.0000 -58.34693 -55.45260 2.89434 2.13713 -55.47781 765.54490
4485.0000 -57.43839 -55.48246 1.95592 2.13586 -55.48868 763.28441
4490.0000 -57.52370 -55.14712 2.37658 2.19055 -55.02106 855.51863
4495.0000 -57.57078 -55.16164 2.40913 2.14159 -55.43969 771.06490
4500.0000 -58.09142 -55.67114 2.42028 2.14508 -55.40987 796.50042
MELTING PROCESS: loop number 19 T-loop= 859.00000000000000
main_MD> interactions number 19 at Temperature= 859.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.43038 0.83579 0.66194
force_rgl> df(natom) -0.10094 -0.24760 2.06880
4505.0000 -57.23311 -54.62135 2.61176 2.17790 -55.12925 795.47468
4510.0000 -56.93992 -54.35498 2.58493 2.25820 -54.44269 900.58994
4515.0000 -57.43724 -55.78538 1.65186 2.21939 -54.77449 829.76746
4520.0000 -57.95758 -55.38861 2.56897 2.11219 -55.69106 775.05647
4525.0000 -56.53761 -53.53193 3.00568 2.25277 -54.48911 862.73812
4530.0000 -57.63196 -54.77266 2.85930 2.31677 -53.94187 942.59510
4535.0000 -57.75223 -54.75410 2.99812 2.24797 -54.53015 873.62017
4540.0000 -57.83723 -55.46340 2.37383 2.13374 -55.50681 779.10629
4545.0000 -57.93944 -55.40043 2.53901 2.11703 -55.64968 751.90234
4550.0000 -58.11114 -56.29777 1.81337 2.09327 -55.85279 704.65408
4555.0000 -58.28775 -55.45791 2.82983 2.05082 -56.21573 697.66742
4560.0000 -57.60859 -55.19115 2.41744 2.18518 -55.06693 846.05087
4565.0000 -57.61577 -54.16658 3.44918 2.23987 -54.59941 879.39318
4570.0000 -56.59827 -54.68848 1.90978 2.26370 -54.39566 914.58528
4575.0000 -57.99434 -55.91765 2.07668 2.20481 -54.89914 840.41436
4580.0000 -59.03142 -56.64217 2.38925 2.10839 -55.72356 745.10065
4585.0000 -57.56856 -55.19718 2.37138 2.05505 -56.17961 699.81948
4590.0000 -56.68633 -53.98334 2.70299 2.24978 -54.51468 901.04908
4595.0000 -56.65522 -54.68604 1.96918 2.24425 -54.56196 893.40679
4600.0000 -58.22736 -55.61321 2.61415 2.18800 -55.04285 820.51897
4605.0000 -58.41450 -55.83655 2.57795 2.20678 -54.88231 893.38512
4610.0000 -59.00364 -56.00968 2.99396 2.09856 -55.80757 741.21854
4615.0000 -58.43363 -55.67320 2.76043 2.11823 -55.63937 750.47506
4620.0000 -57.32561 -55.29122 2.03439 2.12520 -55.57981 750.78098
4625.0000 -57.50009 -54.67240 2.82768 2.19158 -55.01227 823.93178
4630.0000 -57.50640 -54.36649 3.13990 2.28480 -54.21523 967.14591
4635.0000 -57.58860 -54.92122 2.66737 2.23567 -54.63531 879.06374
4640.0000 -58.27012 -55.70413 2.56599 2.15531 -55.32235 810.74234
4645.0000 -57.59226 -54.47156 3.12071 2.16457 -55.24321 811.14710
4650.0000 -58.28933 -55.65087 2.63846 2.15464 -55.32806 826.63676
4655.0000 -58.43327 -55.85481 2.57846 2.07474 -56.01123 716.89643
4660.0000 -57.24518 -54.57898 2.66620 2.17116 -55.18688 866.33524
4665.0000 -57.08010 -54.17307 2.90703 2.23774 -54.61761 787.00590
4670.0000 -56.18873 -53.01973 3.16900 2.36291 -53.54744 1034.37608
4675.0000 -57.44347 -53.98111 3.46236 2.38081 -53.39434 1008.71066
4680.0000 -57.53562 -54.67137 2.86425 2.35999 -53.57239 1035.34410
4685.0000 -57.34515 -55.11030 2.23486 2.24086 -54.59089 878.30969
4690.0000 -57.65275 -54.34243 3.31032 2.33713 -53.76783 1009.78972
4695.0000 -57.00635 -54.21046 2.79589 2.26502 -54.38432 897.48751
4700.0000 -56.79421 -54.05145 2.74276 2.31042 -53.99616 908.88993
4705.0000 -57.20600 -54.81473 2.39127 2.29993 -54.08590 870.82108
4710.0000 -57.58259 -55.19278 2.38981 2.19647 -54.97042 820.60768
4715.0000 -56.91277 -54.71018 2.20259 2.15996 -55.28262 804.67143
4720.0000 -57.54701 -54.01026 3.53675 2.28186 -54.24038 918.54683
4725.0000 -57.63450 -54.80486 2.82963 2.26167 -54.41302 932.61679
4730.0000 -58.28968 -55.88848 2.40121 2.21748 -54.79078 859.68831
4735.0000 -57.35854 -54.35282 3.00572 2.16495 -55.23997 805.06761
4740.0000 -56.34503 -53.63592 2.70911 2.27470 -54.30155 886.81008
4745.0000 -57.26365 -53.55815 3.70550 2.35228 -53.63830 970.24077
4750.0000 -56.98607 -53.94693 3.03914 2.35686 -53.59913 1017.15431
MELTING PROCESS: loop number 20 T-loop= 884.00000000000000
main_MD> interactions number 20 at Temperature= 884.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.62836 -2.61361 0.02591
force_rgl> df(natom) -0.66287 -1.77110 -1.89765
4755.0000 -57.79807 -54.66909 3.12898 2.31741 -53.93646 978.99674
4760.0000 -57.02390 -53.93604 3.08786 2.24749 -54.53424 911.42200
4765.0000 -56.81366 -53.67155 3.14210 2.36410 -53.53723 1021.85858
4770.0000 -57.56330 -54.59003 2.97327 2.34610 -53.69116 1066.73038
4775.0000 -57.34989 -53.98330 3.36659 2.25849 -54.44014 969.83697
4780.0000 -57.31360 -54.42078 2.89283 2.23626 -54.63024 872.90805
4785.0000 -57.38873 -54.58084 2.80789 2.33049 -53.82463 985.38694
4790.0000 -57.19652 -54.35335 2.84318 2.23167 -54.66951 831.10884
4795.0000 -57.59078 -53.55378 4.03701 2.31086 -53.99242 949.27383
4800.0000 -58.15993 -54.46610 3.69384 2.33339 -53.79978 974.61951
4805.0000 -58.06079 -54.26308 3.79770 2.29145 -54.15834 987.95447
4810.0000 -57.75962 -54.61421 3.14541 2.24594 -54.54750 919.62738
4815.0000 -57.85775 -54.47418 3.38357 2.25811 -54.44339 894.25547
4820.0000 -57.34070 -54.25963 3.08107 2.30422 -54.04921 975.82285
4825.0000 -58.00711 -55.22279 2.78432 2.26905 -54.34993 931.94816
4830.0000 -57.81572 -54.76662 3.04910 2.13204 -55.52127 781.78160
4835.0000 -56.61265 -53.17833 3.43433 2.32190 -53.89800 1000.08923
4840.0000 -57.62853 -54.45690 3.17162 2.35716 -53.59661 1000.62458
4845.0000 -56.85114 -54.70835 2.14279 2.26078 -54.42060 883.80831
4850.0000 -57.43400 -54.91333 2.52068 2.25618 -54.45991 894.89290
4855.0000 -58.39489 -54.42326 3.97163 2.22911 -54.69139 859.03300
4860.0000 -56.62496 -54.34481 2.28015 2.20890 -54.86418 850.71653
4865.0000 -56.91060 -53.08846 3.82213 2.33734 -53.76602 1032.65867
4870.0000 -56.75831 -53.81049 2.94782 2.32531 -53.86885 945.57170
4875.0000 -58.07145 -54.09161 3.97983 2.27190 -54.32556 905.42397
4880.0000 -57.28125 -54.76596 2.51528 2.26361 -54.39640 907.63567
4885.0000 -58.07742 -56.01079 2.06664 2.13410 -55.50366 770.59548
4890.0000 -58.80624 -55.66291 3.14333 2.12508 -55.58078 792.22888
4895.0000 -57.84179 -54.68782 3.15397 2.14080 -55.44643 794.90171
4900.0000 -56.88947 -54.60684 2.28263 2.17577 -55.14743 836.51421
4905.0000 -57.33099 -54.60755 2.72345 2.26558 -54.37959 867.67314
4910.0000 -57.73602 -54.11885 3.61717 2.25069 -54.50683 870.06670
4915.0000 -55.64309 -53.22132 2.42177 2.32673 -53.85670 960.75865
4920.0000 -56.73320 -53.54158 3.19163 2.43243 -52.95306 965.54798
4925.0000 -57.03620 -54.11625 2.91995 2.30001 -54.08521 910.95524
4930.0000 -58.56189 -55.49103 3.07086 2.24429 -54.56161 897.27675
4935.0000 -57.67330 -54.68586 2.98744 2.19246 -55.00474 829.67189
4940.0000 -57.55831 -53.54115 4.01715 2.31700 -53.93996 972.08982
4945.0000 -58.15422 -56.20082 1.95340 2.24980 -54.51445 883.61371
4950.0000 -58.14346 -55.78082 2.36264 2.11024 -55.70771 782.48531
4955.0000 -58.02353 -56.19395 1.82958 2.04689 -56.24934 680.63537
4960.0000 -58.66444 -55.42475 3.23969 2.09897 -55.80408 741.90067
4965.0000 -57.73957 -54.66610 3.07346 2.17508 -55.15334 833.42223
4970.0000 -56.79387 -52.99981 3.79406 2.35691 -53.59872 979.44528
4975.0000 -56.79481 -53.85689 2.93792 2.41099 -53.13629 964.44885
4980.0000 -57.59320 -54.89593 2.69727 2.24337 -54.56949 872.52401
4985.0000 -56.98096 -54.21965 2.76131 2.28283 -54.23209 952.41986
4990.0000 -57.43847 -55.21566 2.22281 2.33618 -53.77591 947.07284
4995.0000 -56.64284 -53.64397 2.99887 2.23585 -54.63371 877.69052
5000.0000 -57.31502 -53.75807 3.55696 2.34310 -53.71674 981.99671
MELTING PROCESS: loop number 21 T-loop= 909.00000000000000
main_MD> interactions number 21 at Temperature= 909.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91861 -1.46908 -0.38452
force_rgl> df(natom) -0.77744 1.51480 0.85402
5005.0000 -56.82565 -53.68099 3.14466 2.32349 -53.88443 935.41711
5010.0000 -56.40437 -53.57899 2.82538 2.28911 -54.17839 943.78936
5015.0000 -56.90306 -54.62503 2.27803 2.28715 -54.19511 933.82446
5020.0000 -57.24881 -54.26140 2.98741 2.36006 -53.57179 1012.47048
5025.0000 -57.86793 -55.05051 2.81742 2.24157 -54.58488 869.37193
5030.0000 -57.85364 -53.99468 3.85896 2.22643 -54.71430 810.21795
5035.0000 -57.59335 -54.80734 2.78601 2.23653 -54.62793 824.82151
5040.0000 -57.14029 -54.58990 2.55039 2.21571 -54.80596 840.04460
5045.0000 -57.38631 -53.60820 3.77811 2.27162 -54.32796 924.50250
5050.0000 -58.22341 -54.97533 3.24808 2.27417 -54.30609 934.11736
5055.0000 -57.21611 -54.83305 2.38306 2.17340 -55.16772 837.42957
5060.0000 -57.39369 -55.17429 2.21940 2.23466 -54.64394 872.73358
5065.0000 -55.80864 -52.88105 2.92759 2.31926 -53.92061 925.76620
5070.0000 -57.16826 -54.76805 2.40021 2.33655 -53.77277 993.73365
5075.0000 -58.35264 -55.67761 2.67503 2.18836 -55.03978 808.30464
5080.0000 -57.78571 -55.53523 2.25048 2.11985 -55.62557 778.16473
5085.0000 -57.86758 -55.40067 2.46690 2.11147 -55.69719 764.05808
5090.0000 -57.60341 -54.31528 3.28813 2.16676 -55.22447 800.11864
5095.0000 -57.21862 -54.82121 2.39741 2.25307 -54.48654 901.78845
5100.0000 -57.29379 -54.34115 2.95264 2.29754 -54.10629 990.16949
5105.0000 -56.85373 -54.16482 2.68892 2.29334 -54.14220 963.40577
5110.0000 -57.11616 -55.04917 2.06698 2.28119 -54.24610 937.03110
5115.0000 -56.18146 -53.07556 3.10590 2.28878 -54.18117 967.15957
5120.0000 -57.52593 -54.00170 3.52423 2.39025 -53.31367 1051.20378
5125.0000 -57.78473 -54.61050 3.17423 2.28122 -54.24588 898.37829
5130.0000 -57.90780 -55.99923 1.90856 2.13144 -55.52646 761.65857
5135.0000 -58.10085 -54.95405 3.14680 2.14466 -55.41340 805.24169
5140.0000 -57.99803 -55.33345 2.66458 2.21667 -54.79775 898.51794
5145.0000 -57.40749 -54.36159 3.04591 2.18670 -55.05401 843.36467
5150.0000 -57.95462 -54.93232 3.02230 2.20221 -54.92137 829.20516
5155.0000 -57.95476 -54.56490 3.38987 2.27662 -54.28515 901.44802
5160.0000 -57.22387 -54.59555 2.62832 2.22096 -54.76107 900.86263
5165.0000 -56.94684 -54.15134 2.79549 2.25679 -54.45473 881.49046
5170.0000 -56.40838 -53.67590 2.73248 2.35236 -53.63759 944.94477
5175.0000 -56.94156 -53.51695 3.42461 2.31850 -53.92712 968.37693
5180.0000 -57.01197 -53.44622 3.56575 2.36269 -53.54931 959.77913
5185.0000 -57.51382 -54.33845 3.17538 2.32600 -53.86295 965.15102
5190.0000 -56.24613 -53.33406 2.91207 2.32846 -53.84198 979.85370
5195.0000 -57.09840 -53.82314 3.27527 2.29697 -54.11117 930.16815
5200.0000 -57.52496 -54.55326 2.97170 2.28146 -54.24382 916.74933
5205.0000 -56.98321 -54.23268 2.75053 2.24337 -54.56943 898.11013
5210.0000 -56.75596 -54.46251 2.29345 2.27208 -54.32402 923.59116
5215.0000 -57.62417 -55.01286 2.61132 2.26868 -54.35304 893.84257
5220.0000 -57.03841 -54.15393 2.88448 2.21989 -54.77019 890.81936
5225.0000 -57.34640 -54.31849 3.02791 2.31810 -53.93049 976.17186
5230.0000 -57.60284 -54.66109 2.94175 2.31134 -53.98833 963.40910
5235.0000 -57.55903 -54.95372 2.60530 2.21581 -54.80513 914.51657
5240.0000 -56.97754 -53.20684 3.77070 2.26278 -54.40351 926.45835
5245.0000 -55.89335 -52.99602 2.89733 2.35447 -53.61958 964.45919
5250.0000 -56.84352 -53.84961 2.99391 2.33642 -53.77393 960.87247
MELTING PROCESS: loop number 22 T-loop= 934.00000000000000
main_MD> interactions number 22 at Temperature= 934.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.69878 -0.64810 -2.01027
force_rgl> df(natom) -0.09876 -1.44068 0.98245
5255.0000 -57.10166 -53.72284 3.37882 2.32227 -53.89488 888.32686
5260.0000 -56.76004 -53.53376 3.22628 2.34913 -53.66520 963.73845
5265.0000 -55.98266 -52.48765 3.49501 2.39243 -53.29503 1012.29544
5270.0000 -56.91811 -53.58133 3.33678 2.35635 -53.60351 997.20266
5275.0000 -57.70065 -55.50585 2.19480 2.28455 -54.21740 946.49203
5280.0000 -57.28474 -54.72093 2.56382 2.15760 -55.30279 790.36631
5285.0000 -57.92366 -54.85237 3.07129 2.23019 -54.68218 870.76322
5290.0000 -57.11522 -53.14372 3.97151 2.35764 -53.59242 1022.60628
5295.0000 -57.37323 -54.84483 2.52840 2.31276 -53.97617 935.64897
5300.0000 -58.34933 -54.90704 3.44229 2.20492 -54.89819 857.70649
5305.0000 -55.78119 -53.11421 2.66698 2.35436 -53.62052 954.55078
5310.0000 -56.59192 -53.26465 3.32727 2.46508 -52.67387 1076.36159
5315.0000 -56.71539 -54.44131 2.27408 2.30124 -54.07466 912.83392
5320.0000 -56.44956 -52.43964 4.00992 2.35422 -53.62173 951.80938
5325.0000 -56.73006 -53.46199 3.26807 2.44267 -52.86543 1053.49423
5330.0000 -57.44527 -54.12328 3.32199 2.36053 -53.56776 1000.57626
5335.0000 -57.00368 -53.99151 3.01216 2.31774 -53.93364 975.38817
5340.0000 -57.77726 -53.92445 3.85281 2.26873 -54.35261 917.27201
5345.0000 -57.68475 -54.83315 2.85160 2.26184 -54.41151 908.31151
5350.0000 -58.13266 -54.78883 3.34383 2.19845 -54.95352 863.99756
5355.0000 -57.78593 -55.02654 2.75938 2.17558 -55.14908 807.59139
5360.0000 -56.93191 -54.00193 2.92998 2.22462 -54.72981 906.92654
5365.0000 -56.72200 -53.99287 2.72914 2.27889 -54.26579 927.84897
5370.0000 -57.07284 -53.96855 3.10430 2.31098 -53.99136 940.16459
5375.0000 -56.54321 -53.53170 3.01152 2.32551 -53.86719 910.81889
5380.0000 -56.59064 -52.95569 3.63495 2.39791 -53.24816 1066.13446
5385.0000 -57.38518 -54.27841 3.10678 2.28875 -54.18149 955.96980
5390.0000 -56.80587 -53.01103 3.79485 2.38003 -53.40105 1038.75307
5395.0000 -56.43862 -53.12605 3.31257 2.34228 -53.72381 947.91048
5400.0000 -57.39094 -54.33513 3.05581 2.28759 -54.19141 955.93233
5405.0000 -57.05067 -53.10216 3.94851 2.31334 -53.97124 945.40027
5410.0000 -56.87725 -53.51935 3.35790 2.37437 -53.44946 1007.87714
5415.0000 -58.34694 -55.96871 2.37824 2.23046 -54.67979 905.65666
5420.0000 -57.64719 -55.34758 2.29961 2.10726 -55.73315 777.70026
5425.0000 -57.22675 -54.54381 2.68294 2.21383 -54.82200 887.50843
5430.0000 -57.37961 -54.41757 2.96204 2.25154 -54.49957 899.72117
5435.0000 -56.87853 -53.79908 3.07945 2.27657 -54.28556 918.73146
5440.0000 -57.35355 -54.25810 3.09545 2.29363 -54.13972 941.27915
5445.0000 -56.21086 -52.92680 3.28406 2.34943 -53.66266 977.87943
5450.0000 -56.71643 -53.24826 3.46817 2.42820 -52.98914 1041.24268
5455.0000 -57.34657 -54.32791 3.01866 2.33280 -53.80480 906.94960
5460.0000 -56.21246 -53.47216 2.74030 2.37000 -53.48683 1005.94580
5465.0000 -56.92754 -52.27752 4.65002 2.36500 -53.52956 1029.84365
5470.0000 -55.99062 -52.75508 3.23554 2.51636 -52.23541 1140.01889
5475.0000 -57.18393 -53.74751 3.43642 2.33014 -53.82761 926.28147
5480.0000 -58.50546 -55.41133 3.09413 2.23258 -54.66175 812.24385
5485.0000 -57.48403 -54.15979 3.32425 2.20389 -54.90700 827.17886
5490.0000 -57.26591 -53.93790 3.32801 2.31034 -53.99690 943.00142
5495.0000 -56.87745 -54.21824 2.65921 2.25931 -54.43317 867.42925
5500.0000 -57.50421 -54.52392 2.98029 2.29883 -54.09532 931.55200
MELTING PROCESS: loop number 23 T-loop= 959.00000000000000
main_MD> interactions number 23 at Temperature= 959.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.84225 -1.00190 -0.71074
force_rgl> df(natom) -1.39337 -2.45155 -1.48048
5505.0000 -57.11585 -53.80354 3.31231 2.30546 -54.03863 928.57377
5510.0000 -57.82784 -55.59016 2.23768 2.25373 -54.48091 866.02877
5515.0000 -57.60436 -55.15760 2.44675 2.10314 -55.76843 728.35793
5520.0000 -56.97742 -53.93258 3.04485 2.20139 -54.92841 842.88364
5525.0000 -56.35340 -53.36103 2.99237 2.46328 -52.68926 1054.11501
5530.0000 -57.97512 -54.84999 3.12513 2.31609 -53.94770 960.54850
5535.0000 -55.85912 -52.77687 3.08224 2.35658 -53.60150 929.06216
5540.0000 -57.15862 -53.76341 3.39521 2.47580 -52.58222 1196.57435
5545.0000 -57.16081 -53.71863 3.44218 2.37472 -53.44643 1012.45069
5550.0000 -57.69400 -54.43366 3.26034 2.32671 -53.85690 927.29195
5555.0000 -56.49228 -53.61070 2.88158 2.29013 -54.16966 938.81806
5560.0000 -57.36417 -53.98165 3.38252 2.37818 -53.41689 963.27073
5565.0000 -57.35509 -54.30254 3.05255 2.34598 -53.69216 995.99488
5570.0000 -56.81781 -53.92930 2.88851 2.32011 -53.91337 942.43936
5575.0000 -57.23878 -54.14912 3.08966 2.32532 -53.86882 942.96488
5580.0000 -57.12182 -54.05259 3.06922 2.26727 -54.36515 918.86952
5585.0000 -56.55015 -53.36190 3.18824 2.38558 -53.35362 1104.70266
5590.0000 -57.35101 -54.17906 3.17195 2.28151 -54.24336 967.55435
5595.0000 -56.19427 -52.21113 3.98314 2.40729 -53.16798 1068.07085
5600.0000 -56.27426 -52.71656 3.55770 2.48634 -52.49212 1126.47850
5605.0000 -55.51602 -52.94480 2.57122 2.40695 -53.17086 1048.49975
5610.0000 -56.63222 -53.58809 3.04413 2.36588 -53.52203 974.96980
5615.0000 -57.22966 -54.46825 2.76141 2.25831 -54.44170 910.78509
5620.0000 -56.56373 -53.67605 2.88768 2.33349 -53.79894 949.25956
5625.0000 -56.43725 -53.06289 3.37435 2.37478 -53.44593 993.92827
5630.0000 -57.66929 -54.49159 3.17770 2.34747 -53.67945 1016.57083
5635.0000 -56.48358 -54.03797 2.44561 2.29779 -54.10413 946.28786
5640.0000 -57.35800 -54.09832 3.25968 2.35992 -53.57296 964.80545
5645.0000 -56.96452 -54.67169 2.29283 2.22654 -54.71333 854.13096
5650.0000 -56.01743 -53.63888 2.37855 2.29893 -54.09444 948.93437
5655.0000 -57.13593 -54.50923 2.62670 2.30579 -54.03574 972.46606
5660.0000 -57.62069 -54.99522 2.62546 2.24608 -54.54628 867.29855
5665.0000 -57.72840 -53.71298 4.01542 2.33196 -53.81206 1022.32015
5670.0000 -57.42626 -54.77803 2.64823 2.28123 -54.24574 954.67580
5675.0000 -57.81367 -54.90531 2.90836 2.16957 -55.20043 835.34111
5680.0000 -57.83346 -55.18096 2.65250 2.22852 -54.69643 911.75713
5685.0000 -56.80990 -54.75427 2.05562 2.20703 -54.88012 836.05399
5690.0000 -57.39311 -54.77812 2.61499 2.26305 -54.40117 895.83264
5695.0000 -57.61933 -54.82404 2.79529 2.20610 -54.88808 884.77554
5700.0000 -58.09108 -55.35509 2.73598 2.20114 -54.93048 851.43198
5705.0000 -58.52991 -55.41331 3.11660 2.15433 -55.33074 779.66500
5710.0000 -58.16698 -55.92444 2.24253 2.16094 -55.27419 827.41466
5715.0000 -57.71615 -54.88110 2.83505 2.17720 -55.13524 820.81397
5720.0000 -56.73891 -53.91319 2.82572 2.26190 -54.41105 919.38440
5725.0000 -55.52738 -52.08681 3.44057 2.41837 -53.07325 1037.42361
5730.0000 -55.76133 -52.42790 3.33343 2.44971 -52.80524 1062.06077
5735.0000 -56.06608 -51.92883 4.13725 2.50292 -52.35029 1185.75819
5740.0000 -56.57500 -53.15510 3.41990 2.48682 -52.48801 1130.25662
5745.0000 -58.12546 -54.47740 3.64806 2.40569 -53.18166 1084.34085
5750.0000 -56.97012 -53.63063 3.33949 2.34076 -53.73675 956.07631
MELTING PROCESS: loop number 24 T-loop= 984.00000000000000
main_MD> interactions number 24 at Temperature= 984.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.20593 2.11384 -1.20671
force_rgl> df(natom) 0.77291 5.44999 0.13475
5755.0000 -57.10287 -53.41238 3.69050 2.42663 -53.00257 1028.26975
5760.0000 -56.31810 -52.45337 3.86472 2.38733 -53.33864 1061.71015
5765.0000 -56.14362 -52.51257 3.63105 2.46946 -52.63643 1124.15524
5770.0000 -56.42848 -53.20147 3.22701 2.40105 -53.22130 1015.84209
5775.0000 -56.16784 -53.43523 2.73260 2.35792 -53.59011 1010.17791
5780.0000 -56.80547 -53.61282 3.19264 2.32432 -53.87738 985.02085
5785.0000 -56.50664 -53.34336 3.16329 2.36232 -53.55249 1025.68235
5790.0000 -56.30600 -53.27351 3.03249 2.42813 -52.98979 1096.22024
5795.0000 -56.84959 -53.54713 3.30246 2.39098 -53.30743 964.87220
5800.0000 -55.43780 -52.52778 2.91001 2.42433 -53.02227 1055.06862
5805.0000 -56.71807 -54.72943 1.98864 2.37300 -53.46112 1050.50372
5810.0000 -57.37892 -55.25772 2.12121 2.28355 -54.22596 887.21052
5815.0000 -57.51596 -55.25530 2.26065 2.16352 -55.25217 818.59415
5820.0000 -57.48926 -55.20076 2.28850 2.13527 -55.49368 786.11223
5825.0000 -57.70656 -54.39907 3.30749 2.21712 -54.79388 862.65665
5830.0000 -57.04456 -53.84588 3.19868 2.31378 -53.96748 969.03038
5835.0000 -57.10810 -53.53145 3.57665 2.37472 -53.44645 1022.83387
5840.0000 -55.40083 -52.43525 2.96558 2.43715 -52.91262 1036.50008
5845.0000 -56.75925 -53.16381 3.59544 2.42294 -53.03414 1011.65788
5850.0000 -54.60172 -52.06923 2.53249 2.52812 -52.13492 1105.97403
5855.0000 -57.40518 -54.32254 3.08264 2.41854 -53.07175 962.76778
5860.0000 -55.70428 -52.28472 3.41956 2.34523 -53.69860 1018.75595
5865.0000 -56.75480 -53.12428 3.63052 2.43003 -52.97351 1035.69538
5870.0000 -57.30952 -53.67226 3.63726 2.34240 -53.72276 1023.42615
5875.0000 -56.74704 -54.03416 2.71288 2.35028 -53.65539 1019.60434
5880.0000 -57.65631 -54.76343 2.89287 2.24449 -54.55992 864.66702
5885.0000 -56.93509 -53.31902 3.61608 2.38033 -53.39850 1099.82340
5890.0000 -56.01910 -53.13510 2.88400 2.40398 -53.19630 1032.16899
5895.0000 -57.08496 -53.52005 3.56491 2.48556 -52.49875 1134.65900
5900.0000 -57.96264 -54.08766 3.87498 2.37066 -53.48111 1020.51718
5905.0000 -58.30527 -55.08589 3.21938 2.28659 -54.19993 934.11471
5910.0000 -57.68913 -54.15424 3.53490 2.25171 -54.49817 890.50610
5915.0000 -56.46676 -53.99874 2.46802 2.26059 -54.42225 908.26227
5920.0000 -57.48375 -54.24797 3.23578 2.24212 -54.58014 881.45116
5925.0000 -58.17674 -54.57144 3.60530 2.31175 -53.98479 891.63645
5930.0000 -56.57769 -53.20916 3.36852 2.38482 -53.36005 987.41003
5935.0000 -57.71486 -54.53811 3.17676 2.31467 -53.95984 944.20497
5940.0000 -56.70430 -53.80884 2.89546 2.25377 -54.48052 883.04671
5945.0000 -56.09177 -53.53741 2.55436 2.37233 -53.46689 1000.10776
5950.0000 -56.33241 -52.67071 3.66170 2.32730 -53.85185 949.57742
5955.0000 -55.94486 -52.69220 3.25266 2.45610 -52.75065 1107.85271
5960.0000 -57.39506 -54.16762 3.22745 2.42549 -53.01239 1037.32680
5965.0000 -57.53280 -54.51018 3.02261 2.28757 -54.19158 935.10982
5970.0000 -56.85294 -53.69738 3.15556 2.30463 -54.04572 950.70912
5975.0000 -57.10616 -54.41039 2.69578 2.29564 -54.12257 943.78706
5980.0000 -56.25833 -53.12031 3.13803 2.36134 -53.56081 977.02455
5985.0000 -56.93190 -53.63129 3.30062 2.34745 -53.67954 983.96704
5990.0000 -57.86556 -54.64029 3.22527 2.24723 -54.53643 930.85858
5995.0000 -56.50926 -53.81856 2.69071 2.27533 -54.29617 889.25435
6000.0000 -57.08934 -53.35822 3.73112 2.34882 -53.66790 995.69732
MELTING PROCESS: loop number 25 T-loop= 1009.0000000000000
main_MD> interactions number 25 at Temperature= 1009.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.48913 1.17022 -0.17259
force_rgl> df(natom) -2.57583 -0.87122 -0.55859
6005.0000 -56.83433 -53.63947 3.19486 2.32028 -53.91185 1004.75772
6010.0000 -56.29659 -52.49681 3.79977 2.38454 -53.36246 1083.22358
6015.0000 -57.10077 -53.35807 3.74270 2.39653 -53.25996 1052.80175
6020.0000 -57.03392 -52.18205 4.85187 2.41484 -53.10343 1083.79552
6025.0000 -56.43647 -53.13544 3.30103 2.40899 -53.15345 1103.88405
6030.0000 -56.24694 -52.73990 3.50703 2.44075 -52.88187 1107.86495
6035.0000 -55.93964 -52.61668 3.32296 2.43788 -52.90639 1017.22689
6040.0000 -56.65658 -52.72372 3.93286 2.40485 -53.18886 1062.71493
6045.0000 -56.91149 -53.40033 3.51116 2.40006 -53.22974 1044.45135
6050.0000 -57.84581 -54.26459 3.58122 2.38237 -53.38101 1046.84165
6055.0000 -57.93768 -54.77909 3.15859 2.25200 -54.49567 911.80653
6060.0000 -57.04343 -54.63092 2.41251 2.25746 -54.44896 906.42647
6065.0000 -55.83952 -52.90814 2.93139 2.35062 -53.65246 978.73061
6070.0000 -56.98781 -54.01534 2.97247 2.40633 -53.17620 1036.69576
6075.0000 -56.77433 -53.48037 3.29396 2.33423 -53.79261 983.51013
6080.0000 -55.99167 -52.86408 3.12759 2.39565 -53.26744 1024.02165
6085.0000 -58.17014 -54.79688 3.37327 2.34831 -53.67225 979.28610
6090.0000 -56.73826 -52.98115 3.75711 2.35207 -53.64009 1043.65474
6095.0000 -56.95013 -52.99140 3.95873 2.41412 -53.10960 1103.69212
6100.0000 -55.58535 -51.90960 3.67575 2.42947 -52.97835 1072.71861
6105.0000 -55.59852 -50.93140 4.66711 2.65289 -51.06814 1259.68904
6110.0000 -56.09029 -51.63849 4.45180 2.61190 -51.41859 1216.70103
6115.0000 -55.28496 -52.19132 3.09364 2.60160 -51.50660 1248.79136
6120.0000 -56.21555 -52.24321 3.97234 2.62772 -51.28329 1236.45523
6125.0000 -56.59257 -53.66736 2.92522 2.44105 -52.87932 1081.64518
6130.0000 -55.87472 -53.39242 2.48230 2.41523 -53.10007 1024.15036
6135.0000 -55.77288 -52.90752 2.86536 2.37635 -53.43251 976.29103
6140.0000 -54.85919 -51.14467 3.71452 2.63263 -51.24130 1237.62563
6145.0000 -54.96871 -51.97287 2.99584 2.56119 -51.85212 1117.69731
6150.0000 -57.38886 -53.83685 3.55201 2.38798 -53.33308 1035.43089
6155.0000 -56.24774 -53.36738 2.88036 2.35529 -53.61254 1020.67441
6160.0000 -57.35948 -53.77158 3.58790 2.38503 -53.35827 1021.91703
6165.0000 -57.32925 -54.87425 2.45500 2.25536 -54.46699 902.44231
6170.0000 -56.87878 -54.40536 2.47342 2.26263 -54.40481 893.86759
6175.0000 -56.68770 -53.22178 3.46592 2.31414 -53.96437 910.71427
6180.0000 -56.09466 -53.03222 3.06244 2.44776 -52.82194 1053.85967
6185.0000 -55.39669 -51.26539 4.13130 2.48380 -52.51385 1162.80758
6190.0000 -56.53793 -53.48969 3.04824 2.52887 -52.12850 1184.05527
6195.0000 -57.46368 -53.81650 3.64718 2.39030 -53.31326 1001.74342
6200.0000 -56.75714 -53.80184 2.95530 2.26747 -54.36339 912.16935
6205.0000 -57.05856 -54.30926 2.74930 2.28533 -54.21070 935.52318
6210.0000 -56.47336 -53.87538 2.59798 2.32927 -53.83499 996.15919
6215.0000 -58.11641 -54.10261 4.01380 2.30907 -54.00770 943.37507
6220.0000 -56.74824 -52.75359 3.99464 2.41100 -53.13626 1021.27227
6225.0000 -56.82883 -52.11318 4.71565 2.47401 -52.59752 1139.19294
6230.0000 -56.34244 -52.83949 3.50296 2.52139 -52.19242 1157.70161
6235.0000 -56.16121 -53.66861 2.49259 2.39057 -53.31087 1039.15625
6240.0000 -57.13849 -53.84817 3.29032 2.36788 -53.50488 1028.40769
6245.0000 -57.33166 -53.55118 3.78048 2.36402 -53.53790 974.50646
6250.0000 -56.99907 -53.62720 3.37187 2.29730 -54.10840 914.82016
MELTING PROCESS: loop number 26 T-loop= 1034.0000000000000
main_MD> interactions number 26 at Temperature= 1034.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.49151 -0.61339 -1.01896
force_rgl> df(natom) 0.81703 0.12112 -0.50494
6255.0000 -56.07267 -53.06207 3.01060 2.35921 -53.57906 996.34939
6260.0000 -57.20846 -53.55826 3.65019 2.40629 -53.17650 1095.44133
6265.0000 -56.13043 -53.96303 2.16739 2.31577 -53.95044 937.07040
6270.0000 -55.24877 -52.25846 2.99031 2.41176 -53.12974 1039.91041
6275.0000 -55.48535 -51.48074 4.00460 2.52191 -52.18795 1165.68613
6280.0000 -55.27390 -52.20660 3.06730 2.51265 -52.26715 1111.99772
6285.0000 -55.44887 -51.40779 4.04108 2.54405 -51.99866 1143.84026
6290.0000 -56.93826 -52.58078 4.35748 2.49472 -52.42042 1161.34828
6295.0000 -56.15196 -53.37273 2.77923 2.55649 -51.89229 1193.68788
6300.0000 -57.36920 -54.11846 3.25074 2.33328 -53.80078 938.84789
6305.0000 -57.19913 -53.95507 3.24405 2.32074 -53.90792 972.29729
6310.0000 -55.60089 -51.67134 3.92955 2.46837 -52.64576 1084.93252
6315.0000 -57.13308 -53.73843 3.39465 2.46018 -52.71572 1118.96686
6320.0000 -56.70451 -52.99532 3.70918 2.35527 -53.61270 1018.34715
6325.0000 -56.75717 -53.18965 3.56752 2.42994 -52.97427 1063.47037
6330.0000 -57.25854 -53.69177 3.56677 2.40820 -53.16017 1012.16600
6335.0000 -57.18039 -53.21040 3.96998 2.42774 -52.99316 1124.36409
6340.0000 -56.93805 -54.13527 2.80279 2.36159 -53.55873 964.84513
6345.0000 -56.86481 -53.97329 2.89152 2.28352 -54.22618 892.48048
6350.0000 -56.91363 -53.82464 3.08899 2.31680 -53.94165 951.41668
6355.0000 -56.31945 -53.73010 2.58935 2.36378 -53.53993 1050.01131
6360.0000 -56.31994 -52.55013 3.76981 2.36850 -53.49958 1014.39639
6365.0000 -57.16684 -53.57472 3.59212 2.46811 -52.64794 1088.48505
6370.0000 -54.54139 -50.69627 3.84512 2.46582 -52.66751 1099.89087
6375.0000 -57.15555 -53.44354 3.71201 2.57944 -51.69612 1227.86930
6380.0000 -57.57980 -55.16311 2.41669 2.18936 -55.03121 834.89595
6385.0000 -58.01328 -55.52685 2.48643 2.15001 -55.36765 785.60901
6390.0000 -57.09541 -54.19135 2.90407 2.11802 -55.64121 763.79569
6395.0000 -56.93178 -54.09672 2.83507 2.30459 -54.04603 967.02008
6400.0000 -56.55191 -53.59994 2.95197 2.35033 -53.65495 979.01843
6405.0000 -55.33193 -51.57855 3.75338 2.50749 -52.31126 1147.41741
6410.0000 -56.05999 -52.90120 3.15879 2.51004 -52.28948 1165.49483
6415.0000 -55.80743 -51.36821 4.43922 2.51023 -52.28786 1157.47908
6420.0000 -56.64104 -53.44730 3.19374 2.51359 -52.25910 1089.63991
6425.0000 -56.20740 -52.82839 3.37900 2.34568 -53.69468 1010.02471
6430.0000 -56.50405 -52.66826 3.83579 2.48050 -52.54199 1136.08536
6435.0000 -55.79129 -52.28499 3.50631 2.52814 -52.13470 1181.77199
6440.0000 -57.25214 -54.12292 3.12922 2.42662 -53.00273 1131.09194
6445.0000 -57.85383 -54.31648 3.53735 2.26387 -54.39419 904.39426
6450.0000 -56.40632 -53.73669 2.66963 2.31362 -53.96885 975.73679
6455.0000 -56.46704 -53.51890 2.94814 2.38233 -53.38134 1011.19648
6460.0000 -56.28378 -53.19923 3.08454 2.34403 -53.70879 971.09167
6465.0000 -56.69623 -52.86524 3.83100 2.46581 -52.66758 1018.46403
6470.0000 -57.28567 -52.84626 4.43941 2.42270 -53.03621 1027.04795
6475.0000 -56.70212 -52.41041 4.29172 2.46529 -52.67209 1072.91086
6480.0000 -56.10727 -52.44089 3.66638 2.48684 -52.48784 1124.79764
6485.0000 -56.45331 -52.76054 3.69277 2.46352 -52.68719 1131.81031
6490.0000 -55.99414 -51.75305 4.24109 2.51860 -52.21630 1151.49033
6495.0000 -55.79575 -52.26366 3.53209 2.52901 -52.12726 1211.97234
6500.0000 -56.52313 -52.85704 3.66609 2.48227 -52.52692 1138.82207
MELTING PROCESS: loop number 27 T-loop= 1059.0000000000000
main_MD> interactions number 27 at Temperature= 1059.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.92363 -1.99131 -5.20710
force_rgl> df(natom) -2.08433 1.59144 5.15915
6505.0000 -56.54472 -52.67295 3.87176 2.45967 -52.72011 1086.60874
6510.0000 -54.92856 -51.13229 3.79627 2.53209 -52.10096 1074.05677
6515.0000 -54.28275 -50.41925 3.86350 2.60814 -51.45068 1181.92555
6520.0000 -54.52391 -50.57064 3.95327 2.69081 -50.74387 1288.84110
6525.0000 -53.68399 -49.77336 3.91063 2.87507 -49.16852 1482.03386
6530.0000 -55.09376 -51.23421 3.85955 2.71429 -50.54311 1315.68021
6535.0000 -55.63666 -52.38697 3.24969 2.58674 -51.63370 1207.14966
6540.0000 -56.91745 -53.95720 2.96025 2.39747 -53.25194 1049.88532
6545.0000 -56.66040 -53.89165 2.76875 2.30542 -54.03893 962.27481
6550.0000 -56.18978 -52.99627 3.19352 2.36320 -53.54491 975.30167
6555.0000 -56.69018 -53.09281 3.59736 2.47490 -52.58986 1115.09451
6560.0000 -58.28629 -54.53275 3.75354 2.29484 -54.12943 925.17935
6565.0000 -56.74722 -53.25345 3.49377 2.30447 -54.04706 975.75765
6570.0000 -55.26399 -52.02387 3.24013 2.50708 -52.31480 1106.20852
6575.0000 -56.11512 -52.05146 4.06365 2.49048 -52.45670 1169.75221
6580.0000 -55.92749 -52.39009 3.53740 2.49552 -52.41363 1115.53014
6585.0000 -56.66108 -52.84977 3.81131 2.48673 -52.48875 1093.56537
6590.0000 -56.81082 -53.24185 3.56897 2.37497 -53.44432 1047.04005
6595.0000 -55.18270 -51.22061 3.96210 2.54045 -52.02948 1127.01620
6600.0000 -56.45519 -52.08150 4.37369 2.59779 -51.53924 1320.54452
6605.0000 -56.13611 -51.20119 4.93491 2.55933 -51.86799 1232.42684
6610.0000 -56.02526 -52.11463 3.91063 2.57064 -51.77136 1217.69565
6615.0000 -55.71675 -51.78789 3.92887 2.56061 -51.85712 1186.95115
6620.0000 -55.75794 -51.58160 4.17635 2.57710 -51.71612 1189.22413
6625.0000 -56.60830 -52.20268 4.40562 2.53546 -52.07216 1163.50982
6630.0000 -55.48118 -52.06295 3.41822 2.55436 -51.91052 1179.11408
6635.0000 -55.45478 -51.84749 3.60728 2.50768 -52.30962 1059.44942
6640.0000 -55.43944 -51.33983 4.09961 2.62303 -51.32343 1245.12609
6645.0000 -56.13491 -53.21213 2.92278 2.44911 -52.81037 1097.28692
6650.0000 -56.99942 -53.74501 3.25441 2.38723 -53.33946 952.69180
6655.0000 -56.73471 -53.34842 3.38630 2.35320 -53.63047 987.62607
6660.0000 -56.82324 -53.41810 3.40513 2.40144 -53.21797 1095.88991
6665.0000 -57.01327 -53.84375 3.16953 2.36035 -53.56930 951.25153
6670.0000 -56.84848 -54.04686 2.80163 2.41678 -53.08686 1057.98289
6675.0000 -56.95394 -52.63493 4.31900 2.38710 -53.34059 999.19622
6680.0000 -57.56981 -55.05271 2.51710 2.34035 -53.74028 1006.79840
6685.0000 -57.76536 -54.17504 3.59032 2.31872 -53.92519 1035.85776
6690.0000 -55.86923 -52.35033 3.51890 2.43727 -52.91161 1124.88656
6695.0000 -56.40528 -53.04629 3.35899 2.43389 -52.94054 1070.07969
6700.0000 -56.98029 -52.94052 4.03977 2.39806 -53.24685 1025.03734
6705.0000 -56.67383 -53.01167 3.66216 2.33912 -53.75082 1011.96308
6710.0000 -56.23039 -52.45713 3.77326 2.45902 -52.72568 1078.99775
6715.0000 -57.39423 -53.34313 4.05110 2.42501 -53.01646 1088.41567
6720.0000 -56.66135 -52.84747 3.81387 2.33839 -53.75702 1003.96833
6725.0000 -55.85253 -52.90010 2.95243 2.45436 -52.76555 1058.85711
6730.0000 -56.86573 -54.14219 2.72353 2.36348 -53.54254 978.87511
6735.0000 -57.72297 -54.86038 2.86258 2.29119 -54.16058 937.59455
6740.0000 -56.15648 -52.63071 3.52577 2.29092 -54.16289 937.03742
6745.0000 -56.98502 -53.74893 3.23609 2.43055 -52.96912 1076.39777
6750.0000 -56.37563 -51.87859 4.49704 2.43930 -52.89432 1059.67912
MELTING PROCESS: loop number 28 T-loop= 1084.0000000000000
main_MD> interactions number 28 at Temperature= 1084.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.68749 1.06668 -3.28091
force_rgl> df(natom) -0.35081 0.15000 0.94418
6755.0000 -55.50783 -51.73537 3.77246 2.58541 -51.64507 1186.91336
6760.0000 -56.48145 -53.19943 3.28202 2.49414 -52.42537 1115.21611
6765.0000 -55.77760 -52.68133 3.09627 2.45974 -52.71948 1063.17274
6770.0000 -55.71844 -52.39828 3.32016 2.45133 -52.79139 1155.38541
6775.0000 -56.65653 -52.36928 4.28725 2.51507 -52.24649 1182.52225
6780.0000 -55.46055 -51.97408 3.48647 2.45232 -52.78293 1053.47678
6785.0000 -55.38714 -50.69461 4.69252 2.65457 -51.05372 1267.17044
6790.0000 -56.75552 -53.32762 3.42789 2.50305 -52.34925 1121.58126
6795.0000 -57.12424 -53.85411 3.27012 2.42011 -53.05832 1055.08491
6800.0000 -56.44621 -54.30200 2.14421 2.31778 -53.93328 971.12190
6805.0000 -56.61678 -53.50080 3.11598 2.40717 -53.16895 1028.35543
6810.0000 -57.18122 -53.37921 3.80202 2.42173 -53.04446 1080.58887
6815.0000 -56.80588 -53.63236 3.17352 2.35393 -53.62417 976.85898
6820.0000 -55.81371 -52.81530 2.99841 2.38136 -53.38963 1007.93964
6825.0000 -55.16689 -52.00940 3.15749 2.56990 -51.77768 1149.77276
6830.0000 -56.81376 -52.22901 4.58475 2.53427 -52.08233 1169.13529
6835.0000 -56.20356 -52.76340 3.44016 2.47538 -52.58582 1057.95453
6840.0000 -56.25567 -52.62651 3.62915 2.45096 -52.79459 1036.45775
6845.0000 -55.86663 -51.99538 3.87126 2.58141 -51.67929 1212.62032
6850.0000 -55.19321 -52.24947 2.94373 2.51928 -52.21049 1099.53516
6855.0000 -56.75230 -53.91196 2.84034 2.41358 -53.11414 972.76119
6860.0000 -56.64993 -53.13729 3.51264 2.37129 -53.47577 979.55542
6865.0000 -56.67145 -53.59119 3.08026 2.37101 -53.47815 996.09720
6870.0000 -57.03208 -53.24349 3.78859 2.39033 -53.31300 992.77734
6875.0000 -56.56882 -52.50505 4.06376 2.37012 -53.48572 989.10200
6880.0000 -56.80113 -53.29805 3.50307 2.43327 -52.94586 1116.56039
6885.0000 -56.20459 -52.74643 3.45817 2.39615 -53.26317 1049.90666
6890.0000 -56.62770 -53.86783 2.75987 2.41420 -53.10886 1057.04773
6895.0000 -57.23368 -53.40113 3.83256 2.33506 -53.78555 962.90707
6900.0000 -56.27407 -52.15534 4.11873 2.48361 -52.51543 1133.45385
6905.0000 -56.76059 -54.27382 2.48677 2.44329 -52.86015 1054.39475
6910.0000 -56.60637 -52.96432 3.64204 2.37140 -53.47486 973.38690
6915.0000 -56.06186 -53.16532 2.89654 2.42619 -53.00638 980.24145
6920.0000 -55.48639 -52.38801 3.09838 2.46826 -52.64671 1064.46527
6925.0000 -55.80870 -52.40360 3.40510 2.52528 -52.15919 1160.99597
6930.0000 -55.00914 -52.88898 2.12016 2.49100 -52.45222 1162.32731
6935.0000 -56.72077 -53.44131 3.27946 2.42556 -53.01179 1055.90834
6940.0000 -57.37814 -53.76161 3.61653 2.29404 -54.13626 933.50915
6945.0000 -56.10768 -52.48598 3.62170 2.42300 -53.03368 1053.41785
6950.0000 -56.36799 -52.23855 4.12944 2.46745 -52.65359 1031.72581
6955.0000 -56.15311 -52.88802 3.26509 2.45692 -52.74364 1096.65541
6960.0000 -55.99293 -52.84096 3.15197 2.51308 -52.26345 1177.03559
6965.0000 -54.91440 -51.22642 3.68799 2.51292 -52.26486 1106.06225
6970.0000 -56.94737 -53.17739 3.76999 2.45720 -52.74123 1051.73373
6975.0000 -56.38593 -52.19303 4.19290 2.44711 -52.82748 1046.14877
6980.0000 -56.40973 -53.06220 3.34754 2.42512 -53.01554 1096.59651
6985.0000 -56.13860 -52.54590 3.59270 2.40667 -53.17323 1060.60888
6990.0000 -55.95277 -52.90952 3.04325 2.41283 -53.12063 1037.97847
6995.0000 -55.48421 -52.10136 3.38285 2.49447 -52.42260 1180.06275
7000.0000 -55.49183 -51.80183 3.69000 2.53049 -52.11461 1165.49655
MELTING PROCESS: loop number 29 T-loop= 1109.0000000000000
main_MD> interactions number 29 at Temperature= 1109.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.06879 0.01357 -1.20060
force_rgl> df(natom) 1.45404 -2.06544 -1.93935
7005.0000 -56.08861 -51.96818 4.12043 2.50702 -52.31528 1150.67597
7010.0000 -56.38909 -52.74216 3.64693 2.52641 -52.14949 1167.85805
7015.0000 -56.39072 -52.53915 3.85157 2.37318 -53.45958 1015.91218
7020.0000 -55.26946 -52.24188 3.02758 2.43977 -52.89028 1009.41452
7025.0000 -55.46472 -52.17041 3.29431 2.47091 -52.62406 1127.39708
7030.0000 -56.15729 -51.74380 4.41349 2.46960 -52.63518 1021.58428
7035.0000 -55.96779 -52.03330 3.93449 2.59963 -51.52344 1213.93951
7040.0000 -56.91058 -52.92658 3.98400 2.43109 -52.96448 1096.59394
7045.0000 -56.24816 -53.59189 2.65627 2.41148 -53.13218 1054.24311
7050.0000 -56.79192 -53.79465 2.99726 2.38465 -53.36154 1020.86707
7055.0000 -57.20644 -54.08602 3.12042 2.33351 -53.79875 1003.66454
7060.0000 -57.55001 -54.14922 3.40079 2.27235 -54.32169 915.12502
7065.0000 -56.39898 -51.65055 4.74843 2.42259 -53.03714 1096.29121
7070.0000 -55.02184 -50.99797 4.02388 2.50060 -52.37017 1063.17346
7075.0000 -54.04676 -50.88425 3.16250 2.61529 -51.38958 1204.04702
7080.0000 -56.22666 -52.38979 3.83687 2.54557 -51.98566 1148.97417
7085.0000 -56.81503 -53.90746 2.90757 2.44072 -52.88210 1066.63178
7090.0000 -57.33266 -53.44418 3.88848 2.33976 -53.74531 950.12997
7095.0000 -57.20149 -52.91826 4.28323 2.40080 -53.22341 1022.02097
7100.0000 -55.75682 -52.01586 3.74096 2.52582 -52.15457 1096.27908
7105.0000 -55.24675 -50.54196 4.70479 2.53651 -52.06317 1123.52854
7110.0000 -56.33043 -52.99454 3.33589 2.53256 -52.09694 1088.57607
7115.0000 -56.22957 -53.25289 2.97668 2.51123 -52.27927 1131.26488
7120.0000 -56.08475 -52.02925 4.05550 2.52853 -52.13141 1127.27922
7125.0000 -55.92273 -52.33844 3.58429 2.48215 -52.52788 1097.29016
7130.0000 -55.20106 -52.09263 3.10842 2.51125 -52.27908 1109.86491
7135.0000 -56.82385 -53.01785 3.80600 2.50518 -52.33099 1160.85754
7140.0000 -57.24960 -53.45523 3.79437 2.46191 -52.70094 1124.14350
7145.0000 -56.41423 -52.30841 4.10582 2.41304 -53.11883 1019.15983
7150.0000 -55.81723 -52.90858 2.90865 2.46202 -52.70005 1098.77117
7155.0000 -55.05143 -52.38726 2.66417 2.42900 -52.98235 1033.03595
7160.0000 -56.27274 -52.16955 4.10318 2.54181 -52.01786 1142.11017
7165.0000 -56.77764 -53.42426 3.35339 2.50127 -52.36446 1162.68145
7170.0000 -55.70313 -50.68145 5.02167 2.56368 -51.83083 1196.99150
7175.0000 -56.23705 -52.35795 3.87910 2.59512 -51.56201 1289.47134
7180.0000 -55.80144 -51.99231 3.80913 2.50353 -52.34511 1218.87603
7185.0000 -55.82459 -51.58625 4.23833 2.57450 -51.73831 1210.43265
7190.0000 -55.63068 -51.79235 3.83832 2.59563 -51.55770 1232.60173
7195.0000 -55.56539 -51.64860 3.91679 2.61346 -51.40526 1243.69185
7200.0000 -56.09194 -52.74788 3.34406 2.50106 -52.36621 1090.90822
7205.0000 -56.30502 -52.48205 3.82298 2.46912 -52.63934 1106.90241
7210.0000 -56.32478 -52.63287 3.69191 2.46109 -52.70794 1068.09269
7215.0000 -57.07618 -53.12631 3.94987 2.42801 -52.99078 1036.96809
7220.0000 -56.88973 -54.16162 2.72811 2.31841 -53.92790 953.04529
7225.0000 -56.00876 -52.93927 3.06949 2.37290 -53.46198 1030.28304
7230.0000 -56.09646 -52.82019 3.27627 2.41101 -53.13616 1050.18435
7235.0000 -55.23019 -51.31555 3.91464 2.46759 -52.65238 1122.93545
7240.0000 -56.26791 -53.16370 3.10421 2.52614 -52.15183 1109.72601
7245.0000 -56.64825 -52.97695 3.67130 2.34831 -53.67223 985.21902
7250.0000 -56.86725 -53.05053 3.81671 2.38832 -53.33014 991.83954
MELTING PROCESS: loop number 30 T-loop= 1134.0000000000000
main_MD> interactions number 30 at Temperature= 1134.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.43140 0.63200 -0.58351
force_rgl> df(natom) 1.36435 -0.25803 -3.37719
7255.0000 -56.81992 -52.88310 3.93682 2.40225 -53.21102 1050.27256
7260.0000 -56.48824 -52.34094 4.14731 2.44298 -52.86281 1097.38465
7265.0000 -56.80997 -54.29275 2.51723 2.39477 -53.27498 1064.06657
7270.0000 -56.10689 -52.97169 3.13520 2.37041 -53.48330 919.54426
7275.0000 -56.18386 -52.81758 3.36628 2.52668 -52.14716 1161.79247
7280.0000 -55.20670 -51.41241 3.79429 2.64335 -51.14966 1303.34793
7285.0000 -56.50955 -53.49899 3.01056 2.44885 -52.81260 1087.29123
7290.0000 -57.28246 -54.25849 3.02397 2.34002 -53.74310 927.70186
7295.0000 -56.89970 -53.63577 3.26393 2.25702 -54.45279 911.11298
7300.0000 -57.36184 -51.99215 5.36970 2.39793 -53.24797 1083.08064
7305.0000 -54.45107 -50.76377 3.68730 2.69088 -50.74330 1293.09725
7310.0000 -55.26669 -52.08186 3.18483 2.57751 -51.71263 1173.06207
7315.0000 -55.28835 -51.99003 3.29832 2.55115 -51.93801 1209.64337
7320.0000 -56.63155 -52.53628 4.09527 2.52351 -52.17427 1154.09918
7325.0000 -56.11355 -52.33449 3.77906 2.45320 -52.77545 1026.22032
7330.0000 -55.93165 -52.13618 3.79548 2.61105 -51.42586 1246.22795
7335.0000 -55.90169 -51.57005 4.33164 2.61787 -51.36751 1238.01042
7340.0000 -54.75794 -51.55606 3.20188 2.62219 -51.33057 1274.09366
7345.0000 -56.09298 -52.06264 4.03035 2.55892 -51.87157 1169.50723
7350.0000 -55.93055 -52.52259 3.40796 2.41901 -53.06776 1107.43137
7355.0000 -56.14523 -52.04235 4.10288 2.50643 -52.32034 1141.85685
7360.0000 -55.77406 -52.82718 2.94688 2.56458 -51.82314 1166.88578
7365.0000 -55.21644 -51.33277 3.88367 2.52865 -52.13031 1075.74355
7370.0000 -54.87120 -51.32681 3.54439 2.60799 -51.45196 1170.79443
7375.0000 -56.37020 -51.79539 4.57482 2.59493 -51.56362 1278.33134
7380.0000 -56.59097 -52.58426 4.00670 2.55733 -51.88509 1221.55103
7385.0000 -56.17296 -52.59310 3.57986 2.51989 -52.20527 1137.77277
7390.0000 -56.58390 -52.38866 4.19524 2.49579 -52.41133 1105.21117
7395.0000 -55.11922 -52.17214 2.94708 2.45371 -52.77106 1095.43888
7400.0000 -55.64399 -51.29863 4.34536 2.55966 -51.86522 1159.53863
7405.0000 -55.65987 -51.32060 4.33927 2.61554 -51.38744 1192.40867
7410.0000 -55.60722 -51.16219 4.44503 2.70465 -50.62561 1318.24834
7415.0000 -55.61149 -52.20682 3.40466 2.58247 -51.67016 1174.25249
7420.0000 -55.82876 -51.73801 4.09074 2.54752 -51.96899 1120.72555
7425.0000 -56.84216 -52.12880 4.71336 2.59008 -51.60516 1258.65488
7430.0000 -57.27987 -53.17565 4.10423 2.40645 -53.17510 1028.61083
7435.0000 -56.20172 -52.75804 3.44368 2.45818 -52.73281 1079.51060
7440.0000 -55.97782 -52.97891 2.99890 2.41279 -53.12097 1078.19407
7445.0000 -56.02089 -52.49889 3.52200 2.45034 -52.79988 1045.15606
7450.0000 -56.26508 -51.36863 4.89645 2.51159 -52.27621 1098.66717
7455.0000 -55.82961 -51.18878 4.64083 2.51340 -52.26069 1168.34771
7460.0000 -56.54041 -52.77524 3.76517 2.54521 -51.98876 1134.66663
7465.0000 -56.98563 -53.10433 3.88130 2.46581 -52.66760 1090.19452
7470.0000 -55.93387 -51.15820 4.77567 2.50619 -52.32240 1122.55530
7475.0000 -55.73945 -52.36034 3.37912 2.55451 -51.90927 1211.46098
7480.0000 -55.59510 -51.17038 4.42472 2.58849 -51.61875 1245.37960
7485.0000 -54.39714 -50.53149 3.86565 2.66378 -50.97503 1225.25351
7490.0000 -55.90487 -52.29218 3.61269 2.60440 -51.48268 1273.42052
7495.0000 -56.33292 -52.49288 3.84004 2.50383 -52.34252 1151.00275
7500.0000 -55.86828 -51.72112 4.14716 2.49015 -52.45952 1125.38020
MELTING PROCESS: loop number 31 T-loop= 1159.0000000000000
main_MD> interactions number 31 at Temperature= 1159.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.31516 6.69881 -2.79654
force_rgl> df(natom) -0.42921 0.27270 4.80715
7505.0000 -56.76297 -52.67567 4.08731 2.48356 -52.51588 1171.32178
7510.0000 -56.32661 -52.69446 3.63215 2.44853 -52.81538 1113.21205
7515.0000 -56.35938 -53.52459 2.83479 2.40674 -53.17263 1016.30416
7520.0000 -56.35862 -53.08745 3.27117 2.36078 -53.56565 1007.71477
7525.0000 -56.75013 -52.62798 4.12215 2.46264 -52.69471 1124.55092
7530.0000 -55.57956 -50.28737 5.29219 2.61108 -51.42560 1180.49186
7535.0000 -56.62944 -50.99208 5.63736 2.66130 -50.99622 1266.38865
7540.0000 -55.81494 -50.25599 5.55895 2.64513 -51.13445 1259.20937
7545.0000 -55.11146 -51.52967 3.58179 2.64449 -51.13994 1283.98144
7550.0000 -56.68395 -51.15610 5.52785 2.62352 -51.31918 1287.95596
7555.0000 -57.09755 -52.81102 4.28653 2.55826 -51.87722 1207.36164
7560.0000 -55.88426 -52.96571 2.91854 2.44387 -52.85524 1033.04312
7565.0000 -56.15954 -53.05822 3.10132 2.36835 -53.50093 979.56008
7570.0000 -56.31191 -53.20472 3.10719 2.41622 -53.09157 1081.67245
7575.0000 -57.15405 -53.12376 4.03029 2.38306 -53.37514 1038.32072
7580.0000 -56.09770 -53.12896 2.96874 2.41310 -53.11825 1041.76280
7585.0000 -55.63731 -50.08374 5.55357 2.60749 -51.45624 1222.08413
7590.0000 -54.27422 -50.22705 4.04717 2.69197 -50.73399 1327.32758
7595.0000 -54.60067 -49.60294 4.99773 2.80622 -49.75714 1338.40204
7600.0000 -55.56802 -51.15981 4.40821 2.70458 -50.62619 1312.57300
7605.0000 -54.89524 -50.68552 4.20972 2.62995 -51.26422 1305.88691
7610.0000 -55.49688 -50.99602 4.50085 2.63781 -51.19707 1284.80071
7615.0000 -56.96566 -52.40349 4.56217 2.58907 -51.61374 1264.68597
7620.0000 -55.58786 -52.11802 3.46984 2.52579 -52.15478 1109.23582
7625.0000 -56.34132 -52.71200 3.62932 2.48767 -52.48068 1118.61766
7630.0000 -56.10716 -52.30354 3.80362 2.48366 -52.51497 1084.45660
7635.0000 -55.66999 -52.72328 2.94671 2.48680 -52.48818 1090.31814
7640.0000 -55.33847 -50.59652 4.74195 2.63093 -51.25583 1270.29967
7645.0000 -54.94964 -50.41201 4.53762 2.72758 -50.42954 1421.78476
7650.0000 -56.90333 -53.16456 3.73877 2.56253 -51.84068 1177.93660
7655.0000 -56.44940 -51.80486 4.64454 2.50223 -52.35622 1172.02480
7660.0000 -55.43339 -51.34587 4.08752 2.55880 -51.87258 1232.86328
7665.0000 -55.72158 -51.04318 4.67840 2.69443 -50.71294 1299.10888
7670.0000 -56.41443 -52.96597 3.44846 2.55888 -51.87186 1192.10446
7675.0000 -57.74174 -54.22348 3.51826 2.34940 -53.66291 1043.59749
7680.0000 -57.06017 -54.03033 3.02984 2.33215 -53.81041 1033.15100
7685.0000 -54.92338 -50.71304 4.21034 2.51546 -52.24311 1206.83797
7690.0000 -55.08466 -51.77367 3.31100 2.60827 -51.44960 1226.77225
7695.0000 -56.16994 -52.39982 3.77012 2.58386 -51.65828 1140.55530
7700.0000 -55.09202 -50.99613 4.09589 2.58569 -51.64267 1243.92598
7705.0000 -54.67565 -51.23721 3.43844 2.58664 -51.63453 1232.11361
7710.0000 -56.01416 -52.36197 3.65219 2.53899 -52.04197 1102.14186
7715.0000 -55.96441 -52.22333 3.74108 2.46990 -52.63267 1121.57645
7720.0000 -55.89605 -52.03847 3.85758 2.54281 -52.00931 1143.58036
7725.0000 -56.23248 -52.85863 3.37384 2.54864 -51.95948 1209.84612
7730.0000 -57.63996 -53.22275 4.41721 2.49160 -52.44714 1165.95956
7735.0000 -57.38748 -53.45744 3.93004 2.39670 -53.25851 1109.87618
7740.0000 -55.86633 -52.77077 3.09556 2.43191 -52.95746 1059.59784
7745.0000 -57.10628 -53.81573 3.29055 2.35573 -53.60877 1003.35659
7750.0000 -56.28494 -52.44900 3.83594 2.43170 -52.95929 1042.39473
MELTING PROCESS: loop number 32 T-loop= 1184.0000000000000
main_MD> interactions number 32 at Temperature= 1184.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.18561 3.06569 -4.70623
force_rgl> df(natom) -1.93561 -0.34077 2.81701
7755.0000 -55.95532 -51.51467 4.44065 2.55026 -51.94554 1233.94526
7760.0000 -55.17163 -51.54860 3.62304 2.55747 -51.88396 1213.51908
7765.0000 -56.60711 -52.21468 4.39244 2.55090 -51.94008 1203.15665
7770.0000 -55.47935 -51.97969 3.49966 2.59410 -51.57074 1183.83117
7775.0000 -55.54358 -50.94574 4.59784 2.59529 -51.56058 1227.03682
7780.0000 -54.67937 -50.75366 3.92571 2.70458 -50.62618 1444.96853
7785.0000 -55.50701 -51.76936 3.73766 2.70429 -50.62862 1344.53437
7790.0000 -57.45215 -53.93213 3.52001 2.52829 -52.13340 1177.69963
7795.0000 -56.22696 -52.32613 3.90083 2.46166 -52.70307 1106.78900
7800.0000 -54.43091 -51.67002 2.76089 2.52764 -52.13895 1198.90999
7805.0000 -56.68584 -53.49759 3.18825 2.49614 -52.40827 1115.00097
7810.0000 -56.65666 -53.31873 3.33792 2.43706 -52.91343 1059.18993
7815.0000 -56.66734 -53.30918 3.35816 2.41179 -53.12949 1083.29695
7820.0000 -56.28147 -52.89792 3.38355 2.42746 -52.99553 1099.75182
7825.0000 -56.53203 -53.37102 3.16101 2.43624 -52.92043 1092.32228
7830.0000 -53.91508 -50.87720 3.03788 2.48767 -52.48071 1117.85920
7835.0000 -56.20475 -51.88416 4.32060 2.56272 -51.83901 1138.70240
7840.0000 -56.56149 -53.28757 3.27391 2.53404 -52.08427 1164.09258
7845.0000 -56.79893 -53.33386 3.46507 2.43078 -52.96716 1103.74735
7850.0000 -56.93413 -53.19404 3.74009 2.45445 -52.76472 1049.78000
7855.0000 -54.81413 -51.07628 3.73786 2.58880 -51.61609 1213.85046
7860.0000 -55.67314 -50.50299 5.17016 2.61921 -51.35608 1236.54438
7865.0000 -53.36147 -49.15310 4.20837 2.77744 -50.00323 1348.83730
7870.0000 -54.53454 -49.17377 5.36078 2.87528 -49.16674 1485.40832
7875.0000 -55.64759 -52.18534 3.46225 2.70131 -50.65409 1369.13213
7880.0000 -54.68062 -50.62340 4.05722 2.61480 -51.39378 1219.13395
7885.0000 -55.08417 -51.15011 3.93407 2.56175 -51.84738 1161.94896
7890.0000 -55.68414 -52.51980 3.16434 2.53689 -52.05991 1097.69685
7895.0000 -54.82447 -51.96106 2.86340 2.54903 -51.95606 1132.04010
7900.0000 -56.89450 -52.84486 4.04963 2.50052 -52.37088 1092.17986
7905.0000 -55.64780 -51.77895 3.86885 2.56280 -51.83833 1241.98096
7910.0000 -55.23201 -51.69988 3.53214 2.60511 -51.47666 1286.98918
7915.0000 -55.37046 -51.22422 4.14624 2.49679 -52.40270 1079.31306
7920.0000 -56.14160 -52.36966 3.77193 2.52612 -52.15196 1083.34787
7925.0000 -55.40033 -51.52837 3.87196 2.53462 -52.07931 1176.90753
7930.0000 -54.73243 -50.97857 3.75386 2.60845 -51.44802 1203.86856
7935.0000 -56.41531 -52.97074 3.44457 2.58381 -51.65877 1235.40767
7940.0000 -56.83256 -53.28218 3.55038 2.39756 -53.25117 1074.55426
7945.0000 -55.91380 -51.49360 4.42020 2.51228 -52.27031 1159.49254
7950.0000 -54.80288 -51.47045 3.33243 2.62363 -51.31824 1267.12656
7955.0000 -54.81508 -51.02664 3.78845 2.66848 -50.93482 1260.47885
7960.0000 -55.23718 -50.93688 4.30030 2.70516 -50.62122 1285.58478
7965.0000 -56.11179 -52.52557 3.58622 2.55185 -51.93198 1134.54017
7970.0000 -56.82190 -52.29079 4.53110 2.49328 -52.43279 1101.40663
7975.0000 -57.01473 -53.29547 3.71926 2.47685 -52.57324 1176.03702
7980.0000 -56.74363 -54.70310 2.04053 2.31153 -53.98670 949.65856
7985.0000 -57.21402 -52.67810 4.53592 2.36506 -53.52900 1003.76966
7990.0000 -56.36443 -52.85629 3.50815 2.42626 -53.00575 1065.95899
7995.0000 -55.02179 -50.51534 4.50644 2.61995 -51.34977 1257.51688
8000.0000 -55.91608 -51.80788 4.10820 2.66020 -51.00563 1235.23512
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 3 [min], 57.7472616 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink