tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/meltingSims/run_76/melt.log

1979 lines
195 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: melting
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoMelt_76.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 = 76 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 76 7600
main_MD> Size of nv and nvoiz: 76 7600
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 = 76
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> 1.1247478670624688E-002 2.9984054817516815E-003 7.4018861304494601E-002 initial drift of cluster / NP1 for coalescence
init> 0.27242681583874839 0.32405016685075322 0.30997979624761723 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.9265955336647217E-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) -0.27294 -1.22160 -3.25068
force_rgl> df(natom) 0.41553 0.09034 -0.92286
preparo> THERMALIZATION PROCESS AT 321.20491926341163
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -192.25334031511127 3.5116006304674494 -195.76494094557873 3.7683344164741127E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for melting
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 35
MELTING PROCESS: loop number 1 T-loop= 347.00000000000000
main_MD> interactions number 1 at Temperature= 347.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34123 0.13438 0.38797
force_rgl> df(natom) 1.94244 1.54229 2.46541
5.0000 -194.88105 -192.10603 2.77502 1.80326 -191.84554 319.54630
10.0000 -194.09357 -190.93536 3.15821 1.82555 -191.44565 337.42035
15.0000 -194.81492 -191.02520 3.78972 1.84609 -191.07706 349.67182
20.0000 -194.19487 -190.68157 3.51331 1.86491 -190.73937 356.47786
25.0000 -194.65722 -191.27036 3.38685 1.84099 -191.16865 341.32694
30.0000 -194.35309 -190.91168 3.44141 1.85121 -190.98522 350.37738
35.0000 -194.26787 -190.81250 3.45537 1.84968 -191.01272 347.81347
40.0000 -194.28294 -190.20242 4.08052 1.85796 -190.86403 355.34100
45.0000 -193.98824 -190.41306 3.57518 1.90290 -190.05773 389.92283
50.0000 -194.81328 -191.54376 3.26952 1.85102 -190.98858 353.37210
55.0000 -194.63644 -191.08374 3.55270 1.81781 -191.58447 322.53339
60.0000 -194.41706 -189.96803 4.44903 1.88751 -190.33386 384.06688
65.0000 -194.39283 -190.91332 3.47951 1.86720 -190.69828 364.88201
70.0000 -193.95043 -190.55936 3.39108 1.88383 -190.39987 372.71282
75.0000 -194.31063 -190.75915 3.55148 1.87600 -190.54042 363.16742
80.0000 -194.05853 -191.06453 2.99400 1.87035 -190.64187 358.10112
85.0000 -193.93257 -190.36593 3.56664 1.85671 -190.88659 343.18982
90.0000 -193.69224 -189.72303 3.96922 1.89901 -190.12751 388.40112
95.0000 -194.49179 -190.69758 3.79422 1.88178 -190.43671 375.79838
100.0000 -194.41331 -190.40909 4.00422 1.85438 -190.92830 346.23125
105.0000 -193.75456 -190.53127 3.22330 1.87031 -190.64255 360.89319
110.0000 -194.45129 -190.86080 3.59048 1.85082 -190.99230 349.34577
115.0000 -194.55826 -191.18676 3.37150 1.84906 -191.02384 348.61369
120.0000 -194.34958 -190.80289 3.54670 1.85729 -190.87613 353.02294
125.0000 -194.48620 -191.32142 3.16478 1.84315 -191.12981 343.42666
130.0000 -194.86865 -191.38342 3.48523 1.81408 -191.65142 318.60016
135.0000 -194.38606 -190.86496 3.52110 1.84580 -191.08220 350.84879
140.0000 -194.57016 -191.21008 3.36008 1.84634 -191.07268 354.46757
145.0000 -194.64624 -191.51398 3.13225 1.83021 -191.36197 335.99403
150.0000 -194.46431 -191.05652 3.40779 1.84008 -191.18494 347.25935
155.0000 -194.66022 -190.86858 3.79164 1.84117 -191.16540 349.30876
160.0000 -194.38966 -190.69528 3.69438 1.86414 -190.75321 368.06420
165.0000 -194.60285 -191.22516 3.37770 1.85614 -190.89677 357.56578
170.0000 -195.19415 -191.53766 3.65649 1.82919 -191.38029 338.02723
175.0000 -194.49027 -191.04962 3.44065 1.83768 -191.22793 345.20227
180.0000 -195.10576 -191.17281 3.93294 1.84588 -191.08082 351.25667
185.0000 -194.88937 -191.70363 3.18574 1.84327 -191.12764 359.17857
190.0000 -194.89976 -190.90830 3.99146 1.82962 -191.37259 347.63825
195.0000 -194.33508 -190.78795 3.54713 1.87328 -190.58915 383.78155
200.0000 -195.37154 -192.04073 3.33081 1.81963 -191.55179 335.65393
205.0000 -194.87022 -190.74254 4.12768 1.83697 -191.24065 347.13611
210.0000 -195.16759 -191.59895 3.56864 1.83337 -191.30539 350.00487
215.0000 -195.00726 -191.88560 3.12166 1.80285 -191.85288 322.22677
220.0000 -194.77905 -191.43287 3.34618 1.80784 -191.76331 327.75389
225.0000 -194.98702 -191.64490 3.34212 1.81753 -191.58959 341.23249
230.0000 -195.19908 -191.57420 3.62488 1.80537 -191.80771 326.42315
235.0000 -194.86697 -191.33296 3.53401 1.81928 -191.55805 336.73661
240.0000 -194.30789 -191.13520 3.17269 1.82822 -191.39775 344.07757
245.0000 -195.04330 -191.75538 3.28792 1.83834 -191.21620 354.97304
250.0000 -194.79774 -191.12263 3.67511 1.81820 -191.57746 341.91302
MELTING PROCESS: loop number 2 T-loop= 372.00000000000000
main_MD> interactions number 2 at Temperature= 372.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.19684 0.78853 0.04426
force_rgl> df(natom) -0.06319 1.92468 -1.99229
255.0000 -194.18084 -190.79929 3.38156 1.86945 -190.65800 372.01393
260.0000 -194.18610 -191.00804 3.17806 1.84199 -191.15062 346.98200
265.0000 -194.42608 -191.09333 3.33275 1.86338 -190.76692 367.78129
270.0000 -194.54986 -191.51097 3.03889 1.84545 -191.08848 354.94225
275.0000 -194.93168 -191.30411 3.62756 1.82021 -191.54134 336.48831
280.0000 -194.64727 -190.69566 3.95161 1.85568 -190.90495 364.01193
285.0000 -194.32534 -190.89087 3.43448 1.86198 -190.79204 367.56138
290.0000 -194.67315 -191.03720 3.63596 1.85136 -190.98250 359.10783
295.0000 -194.70734 -191.21110 3.49624 1.86046 -190.81918 371.82771
300.0000 -193.91277 -190.69808 3.21469 1.86344 -190.76577 370.21940
305.0000 -194.40228 -190.60220 3.80008 1.88003 -190.46811 380.67150
310.0000 -194.15958 -190.76693 3.39265 1.85679 -190.88511 367.26255
315.0000 -195.01421 -191.57246 3.44175 1.86586 -190.72233 379.95620
320.0000 -194.77566 -191.26143 3.51423 1.84146 -191.16023 354.58454
325.0000 -193.90120 -190.65955 3.24165 1.84934 -191.01869 351.47259
330.0000 -194.74335 -191.23768 3.50566 1.86836 -190.67751 370.57797
335.0000 -194.42503 -191.01160 3.41343 1.83880 -191.20789 346.74303
340.0000 -194.19635 -190.76998 3.42637 1.85560 -190.90639 359.27191
345.0000 -194.15150 -190.97806 3.17344 1.86009 -190.82581 364.99252
350.0000 -194.47971 -190.68611 3.79360 1.84776 -191.04720 353.24294
355.0000 -193.88949 -190.32684 3.56265 1.89068 -190.27713 388.28883
360.0000 -194.38415 -190.60452 3.77963 1.87982 -190.47197 375.62561
365.0000 -194.20883 -189.93505 4.27379 1.88655 -190.35123 382.12118
370.0000 -193.73333 -189.68811 4.04522 1.91516 -189.83779 409.52925
375.0000 -194.01659 -190.16208 3.85451 1.88526 -190.37431 383.08599
380.0000 -194.17933 -190.44026 3.73907 1.89250 -190.24433 385.68374
385.0000 -194.46006 -190.30624 4.15382 1.88749 -190.33423 390.22126
390.0000 -193.93619 -190.40560 3.53059 1.88897 -190.30770 388.58291
395.0000 -194.25843 -190.58240 3.67603 1.85731 -190.87581 362.03445
400.0000 -194.07227 -190.31518 3.75709 1.86690 -190.70367 370.17404
405.0000 -194.41435 -190.26037 4.15398 1.88386 -190.39944 390.76452
410.0000 -194.19585 -190.36399 3.83186 1.89156 -190.26117 387.16157
415.0000 -194.39941 -190.79230 3.60711 1.87196 -190.61299 374.77747
420.0000 -194.85095 -191.23579 3.61516 1.85315 -190.95032 365.21223
425.0000 -193.87480 -190.12654 3.74826 1.85772 -190.86846 367.33249
430.0000 -194.10021 -190.12737 3.97284 1.89012 -190.28704 388.63937
435.0000 -194.65252 -190.79547 3.85705 1.89352 -190.22609 392.13619
440.0000 -194.62216 -190.16193 4.46022 1.86167 -190.79752 367.94181
445.0000 -193.30350 -189.97262 3.33088 1.88707 -190.34178 387.45473
450.0000 -193.78014 -190.15156 3.62858 1.91139 -189.90551 403.67761
455.0000 -194.58556 -190.60907 3.97649 1.88575 -190.36544 387.79014
460.0000 -194.62821 -191.21826 3.40996 1.86792 -190.68542 369.96759
465.0000 -194.32828 -191.19088 3.13740 1.84700 -191.06067 354.29972
470.0000 -195.29341 -191.56335 3.73005 1.82421 -191.46959 340.77727
475.0000 -194.12926 -190.74325 3.38601 1.85043 -190.99928 356.90325
480.0000 -194.36550 -190.26267 4.10284 1.86664 -190.70829 365.72510
485.0000 -194.19516 -190.57988 3.61528 1.87844 -190.49663 370.02370
490.0000 -194.65165 -190.58128 4.07037 1.86244 -190.78380 365.88538
495.0000 -194.20411 -191.25688 2.94724 1.85233 -190.96516 354.27919
500.0000 -194.35855 -190.38077 3.97778 1.84222 -191.14657 347.91900
MELTING PROCESS: loop number 3 T-loop= 397.00000000000000
main_MD> interactions number 3 at Temperature= 397.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.59798 -1.72917 -0.38736
force_rgl> df(natom) 1.54263 -1.12475 0.65320
505.0000 -193.57459 -190.15829 3.41630 1.87602 -190.54009 381.17912
510.0000 -194.02887 -189.87894 4.14993 1.89158 -190.26087 394.68546
515.0000 -194.29887 -190.52636 3.77251 1.89878 -190.13165 399.13640
520.0000 -194.20037 -190.62089 3.57948 1.87676 -190.52675 379.15734
525.0000 -193.41162 -189.96881 3.44281 1.89784 -190.14857 401.43189
530.0000 -193.63801 -189.90062 3.73739 1.91147 -189.90410 393.66226
535.0000 -194.32351 -189.98200 4.34151 1.92860 -189.59661 422.37555
540.0000 -193.95643 -189.85087 4.10556 1.94170 -189.36157 426.37928
545.0000 -193.46251 -189.65858 3.80393 1.92008 -189.74954 390.81677
550.0000 -193.92195 -189.56762 4.35433 1.90155 -190.08201 383.07028
555.0000 -194.56175 -189.37432 5.18743 1.95074 -189.19939 425.15483
560.0000 -194.62461 -190.27532 4.34929 1.91335 -189.87034 403.71056
565.0000 -193.99404 -189.90554 4.08850 1.91121 -189.90873 407.23743
570.0000 -194.48644 -190.86558 3.62086 1.86713 -190.69961 374.19150
575.0000 -194.34595 -190.27745 4.06850 1.88636 -190.35453 391.49431
580.0000 -193.74928 -189.88329 3.86599 1.89015 -190.28647 391.40053
585.0000 -193.50100 -190.38411 3.11689 1.90560 -190.00933 402.08191
590.0000 -193.77565 -189.93454 3.84111 1.87820 -190.50104 380.02714
595.0000 -194.02032 -190.43023 3.59008 1.87297 -190.59477 368.68118
600.0000 -194.07181 -190.01824 4.05358 1.90687 -189.98664 397.13107
605.0000 -193.85017 -190.84298 3.00718 1.89306 -190.23438 382.98062
610.0000 -192.97047 -188.92540 4.04506 1.90588 -190.00437 398.17836
615.0000 -193.85202 -189.90754 3.94447 1.92010 -189.74913 406.46716
620.0000 -194.07810 -190.26984 3.80826 1.90778 -189.97017 403.00026
625.0000 -193.39829 -188.98353 4.41476 1.94821 -189.24477 438.81928
630.0000 -194.33439 -189.78384 4.55055 1.95032 -189.20705 435.51165
635.0000 -193.49092 -189.51516 3.97576 1.91915 -189.76622 399.24441
640.0000 -192.78588 -188.31036 4.47552 1.95187 -189.17911 425.67893
645.0000 -193.68657 -189.61183 4.07473 1.96908 -188.87044 439.83702
650.0000 -193.86437 -189.45821 4.40617 1.92847 -189.59902 418.66055
655.0000 -194.48049 -190.93926 3.54123 1.88737 -190.33645 386.51590
660.0000 -193.87566 -190.03453 3.84113 1.85971 -190.83264 366.37623
665.0000 -193.34257 -189.56705 3.77552 1.91432 -189.85290 404.77991
670.0000 -193.50278 -189.61634 3.88644 1.93147 -189.54516 428.62884
675.0000 -194.03966 -190.44556 3.59410 1.91411 -189.85660 403.66043
680.0000 -194.24294 -190.59648 3.64646 1.87211 -190.61014 375.80847
685.0000 -194.31499 -189.96801 4.34697 1.90324 -190.05172 401.11222
690.0000 -193.43920 -189.81821 3.62099 1.90723 -189.98012 403.82907
695.0000 -193.34516 -189.17505 4.17011 1.94549 -189.29357 436.74877
700.0000 -193.69896 -189.66380 4.03516 1.94361 -189.32737 427.64866
705.0000 -194.57455 -190.68349 3.89106 1.91140 -189.90526 398.90922
710.0000 -193.74688 -189.72176 4.02512 1.86829 -190.67883 362.67033
715.0000 -194.08670 -190.21402 3.87268 1.92065 -189.73930 400.46474
720.0000 -193.58638 -190.09566 3.49072 1.90201 -190.07373 391.52322
725.0000 -193.47500 -189.34476 4.13023 1.92084 -189.73589 408.99459
730.0000 -194.06233 -189.78808 4.27424 1.93611 -189.46184 420.88628
735.0000 -193.19293 -188.39525 4.79768 1.95458 -189.13047 433.60868
740.0000 -193.68945 -189.95040 3.73905 1.92424 -189.67498 406.91940
745.0000 -194.09597 -190.23789 3.85808 1.88443 -190.38912 378.04765
750.0000 -193.88201 -190.82253 3.05948 1.86344 -190.76586 366.65541
MELTING PROCESS: loop number 4 T-loop= 422.00000000000000
main_MD> interactions number 4 at Temperature= 422.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.78454 1.00038 0.48100
force_rgl> df(natom) -1.49045 0.48128 -1.50254
755.0000 -194.06077 -189.46996 4.59081 1.87631 -190.53482 379.34586
760.0000 -194.05442 -189.84256 4.21186 1.92271 -189.70238 419.64558
765.0000 -192.94112 -189.51508 3.42604 1.90803 -189.96579 401.02126
770.0000 -194.16988 -190.17548 3.99440 1.91386 -189.86105 407.17217
775.0000 -193.89447 -189.75891 4.13556 1.94498 -189.30278 434.88245
780.0000 -193.48446 -189.09695 4.38751 1.94578 -189.28850 430.63745
785.0000 -193.76291 -190.04981 3.71310 1.91571 -189.82790 406.31438
790.0000 -194.08857 -190.14017 3.94840 1.89594 -190.18259 393.24034
795.0000 -193.85809 -189.68305 4.17505 1.88711 -190.34118 388.66424
800.0000 -193.50547 -189.10699 4.39847 1.95211 -189.17484 443.05166
805.0000 -193.16504 -188.41809 4.74695 1.97297 -188.80063 457.36974
810.0000 -193.63273 -188.87048 4.76225 2.01318 -188.07910 478.81818
815.0000 -193.85443 -188.94697 4.90746 1.95543 -189.11537 442.98725
820.0000 -192.95456 -188.40110 4.55345 1.97672 -188.73330 445.27611
825.0000 -193.35667 -188.14481 5.21186 1.99361 -188.43024 466.85645
830.0000 -193.32039 -189.06355 4.25684 1.97849 -188.70155 450.41016
835.0000 -192.87769 -188.55386 4.32383 1.94417 -189.31737 423.46923
840.0000 -192.39646 -188.64537 3.75109 1.97521 -188.76035 450.24214
845.0000 -192.77283 -189.07717 3.69566 1.97927 -188.68756 446.82840
850.0000 -193.33047 -189.07235 4.25812 1.96761 -188.89681 446.57389
855.0000 -193.25064 -189.05657 4.19406 1.94818 -189.24530 429.70641
860.0000 -193.17298 -189.16208 4.01090 1.95794 -189.07018 447.40069
865.0000 -193.79231 -189.51443 4.27788 1.94852 -189.23922 441.79570
870.0000 -193.64943 -189.98205 3.66738 1.92809 -189.60580 421.73661
875.0000 -193.66509 -189.33096 4.33413 1.91704 -189.80400 414.80701
880.0000 -193.73516 -189.77271 3.96246 1.93728 -189.44087 419.70121
885.0000 -193.74099 -189.82534 3.91564 1.90109 -190.09025 392.61628
890.0000 -193.79889 -189.17770 4.62119 1.92518 -189.65796 411.01123
895.0000 -193.47426 -189.06939 4.40487 1.94784 -189.25153 430.34067
900.0000 -192.98776 -188.70994 4.27782 1.96766 -188.89576 447.30888
905.0000 -193.13551 -188.59221 4.54330 1.95563 -189.11170 434.79557
910.0000 -193.34864 -188.52545 4.82319 1.99989 -188.31760 462.37671
915.0000 -193.69051 -189.33179 4.35872 1.97080 -188.83958 447.82836
920.0000 -193.55310 -189.00218 4.55091 1.94662 -189.27328 428.40621
925.0000 -193.13298 -189.50857 3.62441 1.95021 -189.20890 431.80820
930.0000 -194.45121 -190.41370 4.03751 1.89579 -190.18539 389.56830
935.0000 -194.28525 -190.33901 3.94624 1.88776 -190.32943 405.26786
940.0000 -194.35152 -190.59456 3.75696 1.89727 -190.15880 408.48549
945.0000 -194.09095 -189.93605 4.15489 1.89803 -190.14521 407.78732
950.0000 -193.82891 -189.04240 4.78651 1.92908 -189.58812 437.63441
955.0000 -193.74125 -188.17320 5.56806 1.93809 -189.42635 438.87053
960.0000 -194.15486 -190.24079 3.91407 1.94965 -189.21890 450.36753
965.0000 -193.86004 -190.17910 3.68094 1.90029 -190.10453 412.83306
970.0000 -194.29162 -190.02516 4.26646 1.91065 -189.91878 414.18799
975.0000 -194.60407 -190.90073 3.70334 1.90445 -190.02992 412.15061
980.0000 -193.65425 -189.03095 4.62330 1.91660 -189.81200 424.30457
985.0000 -193.51364 -189.16943 4.34421 1.93586 -189.46644 432.51165
990.0000 -193.48539 -189.04148 4.44391 1.95745 -189.07899 452.63496
995.0000 -194.87188 -191.07856 3.79332 1.88824 -190.32079 402.93606
1000.0000 -194.83248 -191.27953 3.55294 1.84942 -191.01728 369.83195
MELTING PROCESS: loop number 5 T-loop= 447.00000000000000
main_MD> interactions number 5 at Temperature= 447.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.62404 0.49673 -0.27302
force_rgl> df(natom) -0.60711 1.30764 -1.74148
1005.0000 -193.81768 -189.63051 4.18717 1.88350 -190.40581 400.59458
1010.0000 -193.19536 -189.14587 4.04948 1.92837 -189.60077 432.22649
1015.0000 -193.58282 -188.69219 4.89063 1.96847 -188.88128 469.27278
1020.0000 -192.40118 -188.39414 4.00704 1.97079 -188.83969 470.48248
1025.0000 -192.87915 -189.01525 3.86390 1.96903 -188.87120 465.47968
1030.0000 -193.31791 -188.69123 4.62667 1.99848 -188.34287 491.96450
1035.0000 -193.58897 -188.86499 4.72398 1.96559 -188.93295 460.86823
1040.0000 -193.70830 -189.95228 3.75602 1.95294 -189.15999 450.61227
1045.0000 -193.77947 -190.12450 3.65497 1.90599 -190.00228 415.15475
1050.0000 -194.28159 -190.50728 3.77431 1.88658 -190.35060 397.52333
1055.0000 -193.79122 -189.79314 3.99808 1.89870 -190.13313 409.07958
1060.0000 -193.75376 -189.40713 4.34663 1.93467 -189.48783 438.02588
1065.0000 -193.34304 -188.97493 4.36811 1.94801 -189.24847 445.54899
1070.0000 -193.26151 -189.24438 4.01713 1.96605 -188.92480 457.43884
1075.0000 -193.94872 -190.10105 3.84767 1.91012 -189.92825 420.74054
1080.0000 -195.06536 -190.97389 4.09147 1.86446 -190.74753 378.25785
1085.0000 -193.75996 -189.67673 4.08324 1.91661 -189.81187 424.47265
1090.0000 -193.27418 -189.08084 4.19335 1.94703 -189.26594 444.92930
1095.0000 -193.59517 -189.26802 4.32715 1.95782 -189.07246 455.05783
1100.0000 -193.61802 -188.19324 5.42478 1.97512 -188.76197 464.78605
1105.0000 -192.77238 -187.56184 5.21054 2.00449 -188.23504 494.12377
1110.0000 -192.68678 -187.91604 4.77074 2.02812 -187.81111 491.04439
1115.0000 -192.78684 -187.86729 4.91956 2.00985 -188.13884 469.93142
1120.0000 -192.94986 -188.14531 4.80455 2.00590 -188.20969 470.12414
1125.0000 -193.36724 -188.08518 5.28206 2.01489 -188.04842 465.27931
1130.0000 -193.16352 -188.81253 4.35099 1.98761 -188.53787 462.45968
1135.0000 -193.16718 -188.22629 4.94089 1.97324 -188.79576 442.77779
1140.0000 -193.39009 -188.62025 4.76984 1.98789 -188.53287 466.06973
1145.0000 -193.38427 -189.09759 4.28668 1.98207 -188.63737 454.07378
1150.0000 -193.64461 -188.76082 4.88378 1.97983 -188.67753 439.04877
1155.0000 -193.32086 -188.99463 4.32623 1.96286 -188.98191 451.96717
1160.0000 -193.01522 -189.08735 3.92787 1.96442 -188.95401 466.56895
1165.0000 -193.42309 -188.46928 4.95381 1.96043 -189.02557 456.61255
1170.0000 -193.23397 -189.22692 4.00706 1.96566 -188.93176 461.94263
1175.0000 -193.31411 -189.22211 4.09200 1.94364 -189.32688 444.31240
1180.0000 -194.32674 -189.93044 4.39629 1.93149 -189.54487 436.94118
1185.0000 -193.51956 -188.83703 4.68253 1.94916 -189.22770 456.49866
1190.0000 -193.61015 -189.53607 4.07407 1.94276 -189.34255 421.92984
1195.0000 -192.51180 -187.81412 4.69768 2.00289 -188.26372 478.49466
1200.0000 -192.92749 -188.66608 4.26141 2.00163 -188.28638 475.46158
1205.0000 -193.59451 -188.98433 4.61018 1.95469 -189.12864 435.20406
1210.0000 -193.84552 -189.03635 4.80917 1.97314 -188.79758 467.03364
1215.0000 -193.73170 -189.79820 3.93349 1.96249 -188.98864 464.30160
1220.0000 -194.28363 -190.00458 4.27904 1.93140 -189.54647 437.81002
1225.0000 -193.31980 -189.18704 4.13275 1.91475 -189.84509 418.56354
1230.0000 -193.72459 -189.39591 4.32869 1.92726 -189.62063 428.94792
1235.0000 -193.47762 -188.42891 5.04871 1.96371 -188.96677 460.33754
1240.0000 -192.84317 -188.94518 3.89799 1.97703 -188.72779 474.33344
1245.0000 -194.74000 -190.28207 4.45794 1.94734 -189.26050 448.24523
1250.0000 -193.78247 -189.49600 4.28647 1.91377 -189.86276 424.47315
MELTING PROCESS: loop number 6 T-loop= 472.00000000000000
main_MD> interactions number 6 at Temperature= 472.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.55391 -4.89145 1.89420
force_rgl> df(natom) -2.26188 -1.05121 -2.96083
1255.0000 -193.26440 -188.70044 4.56396 1.96597 -188.92612 463.65221
1260.0000 -193.45911 -189.10525 4.35386 1.94074 -189.37880 441.27284
1265.0000 -193.20949 -188.76423 4.44526 1.99458 -188.41281 477.33950
1270.0000 -193.19777 -188.80337 4.39440 2.00621 -188.20415 490.97991
1275.0000 -192.81180 -188.12609 4.68571 1.99643 -188.37972 487.29047
1280.0000 -193.28422 -188.95976 4.32446 1.98387 -188.60495 477.40884
1285.0000 -192.54066 -188.09228 4.44838 2.00807 -188.17083 489.58644
1290.0000 -193.87097 -189.43661 4.43436 1.95173 -189.18175 447.27566
1295.0000 -193.99722 -188.68846 5.30876 1.96159 -189.00469 459.38160
1300.0000 -193.10622 -188.46978 4.63643 1.96683 -188.91069 454.48503
1305.0000 -193.07510 -188.77025 4.30484 2.01356 -188.07233 491.10002
1310.0000 -192.62130 -187.98321 4.63809 1.98082 -188.65974 466.15078
1315.0000 -192.02356 -187.67350 4.35006 2.02835 -187.80691 521.69090
1320.0000 -192.99336 -188.55130 4.44206 2.00793 -188.17329 499.40096
1325.0000 -194.41652 -190.43836 3.97817 1.93729 -189.44070 433.78243
1330.0000 -194.30395 -189.92957 4.37438 1.90797 -189.96678 415.42117
1335.0000 -194.58974 -190.26967 4.32007 1.91794 -189.78792 425.12763
1340.0000 -193.52020 -189.48201 4.03819 1.91742 -189.79733 419.38378
1345.0000 -193.91929 -189.16132 4.75797 1.95272 -189.16390 459.92144
1350.0000 -193.78235 -188.67805 5.10430 1.95299 -189.15901 453.64313
1355.0000 -193.42827 -189.24269 4.18558 1.94901 -189.23052 451.35004
1360.0000 -193.56879 -189.19906 4.36972 1.94369 -189.32600 443.93143
1365.0000 -193.89457 -189.82461 4.06995 1.96056 -189.02327 462.74980
1370.0000 -193.86680 -188.81985 5.04695 1.94593 -189.28569 447.77130
1375.0000 -193.06172 -188.55789 4.50383 1.99161 -188.46616 477.23206
1380.0000 -193.13073 -188.40689 4.72384 1.99091 -188.47871 480.33699
1385.0000 -192.67526 -188.41647 4.25878 1.97936 -188.68585 464.56422
1390.0000 -192.93659 -188.35705 4.57954 1.99907 -188.33233 465.69603
1395.0000 -194.11984 -189.31314 4.80669 1.94280 -189.34185 428.10789
1400.0000 -193.17577 -188.34935 4.82642 1.98187 -188.64083 448.08381
1405.0000 -192.38609 -187.65931 4.72678 2.01764 -187.99906 482.45722
1410.0000 -192.46349 -187.92815 4.53535 2.03239 -187.73440 502.20604
1415.0000 -193.85466 -189.12754 4.72712 1.97004 -188.85309 463.77649
1420.0000 -193.22163 -188.58417 4.63746 1.98019 -188.67095 472.47038
1425.0000 -193.73548 -188.52576 5.20972 1.98539 -188.57764 476.19137
1430.0000 -192.68733 -187.79511 4.89221 1.98860 -188.52011 466.85061
1435.0000 -193.40378 -188.74993 4.65385 1.97756 -188.71829 471.42194
1440.0000 -193.19021 -188.39445 4.79576 1.99242 -188.45154 480.83223
1445.0000 -193.84531 -189.10804 4.73727 1.96199 -188.99756 462.11369
1450.0000 -193.77251 -189.50439 4.26812 1.93416 -189.49687 438.17561
1455.0000 -192.87290 -188.29456 4.57835 1.97802 -188.70999 478.37295
1460.0000 -193.22454 -188.20350 5.02104 2.00189 -188.28170 495.02648
1465.0000 -193.47674 -188.69107 4.78568 1.99794 -188.35250 490.37784
1470.0000 -193.22611 -188.73548 4.49062 1.98950 -188.50405 481.08699
1475.0000 -193.55758 -188.59236 4.96522 1.97736 -188.72186 471.82926
1480.0000 -193.19567 -188.37338 4.82229 2.00077 -188.30186 478.81507
1485.0000 -193.30383 -188.33584 4.96799 2.01486 -188.04902 489.30472
1490.0000 -193.32906 -188.38693 4.94214 2.01339 -188.07542 486.26400
1495.0000 -193.32397 -187.99471 5.32926 2.00144 -188.28982 473.92809
1500.0000 -192.37127 -187.82733 4.54393 2.03277 -187.72765 481.45285
MELTING PROCESS: loop number 7 T-loop= 497.00000000000000
main_MD> interactions number 7 at Temperature= 497.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.01247 1.85067 -0.44711
force_rgl> df(natom) 0.99268 1.03288 4.62525
1505.0000 -192.52960 -188.12653 4.40307 2.01888 -187.97688 468.18948
1510.0000 -193.45988 -188.44446 5.01541 1.99758 -188.35894 471.41566
1515.0000 -193.29536 -188.75355 4.54181 1.96966 -188.85998 460.91431
1520.0000 -192.36960 -187.57068 4.79892 2.01314 -188.07988 499.16834
1525.0000 -193.16534 -188.65324 4.51210 1.97894 -188.69352 480.59409
1530.0000 -192.84648 -187.97404 4.87244 2.01355 -188.07241 502.74146
1535.0000 -192.96967 -187.87037 5.09931 2.02730 -187.82579 511.85956
1540.0000 -192.68313 -187.73619 4.94694 2.02017 -187.95368 512.72863
1545.0000 -194.05610 -188.85564 5.20047 2.00807 -188.17079 491.01959
1550.0000 -192.20295 -187.32741 4.87554 2.02503 -187.86657 499.78624
1555.0000 -192.80645 -187.76297 5.04348 2.04467 -187.51419 509.36762
1560.0000 -192.61077 -187.15452 5.45625 2.06652 -187.12208 527.74826
1565.0000 -192.29635 -187.22401 5.07234 2.05856 -187.26490 514.85605
1570.0000 -192.23789 -187.42952 4.80837 2.07983 -186.88335 523.48480
1575.0000 -192.67739 -187.23690 5.44049 2.04605 -187.48937 501.35465
1580.0000 -193.02938 -187.80650 5.22288 2.03374 -187.71019 507.30165
1585.0000 -192.97728 -188.04392 4.93336 2.03772 -187.63874 523.84104
1590.0000 -194.07650 -189.36030 4.71620 1.94532 -189.29665 446.67274
1595.0000 -192.60938 -187.58972 5.01966 2.01734 -188.00444 506.87579
1600.0000 -192.93451 -187.82299 5.11152 2.01483 -188.04943 506.63522
1605.0000 -192.92627 -188.14265 4.78361 2.03752 -187.64246 518.66766
1610.0000 -193.08926 -189.03668 4.05258 2.00825 -188.16758 495.04107
1615.0000 -193.13229 -187.78110 5.35118 1.99497 -188.40590 474.35102
1620.0000 -191.99287 -186.94615 5.04672 2.03105 -187.75856 516.38574
1625.0000 -193.26894 -188.63912 4.62981 2.04171 -187.56727 524.41340
1630.0000 -193.46252 -187.90157 5.56095 1.98872 -188.51803 486.05462
1635.0000 -192.28106 -187.06036 5.22070 2.04138 -187.57316 515.67454
1640.0000 -191.51310 -186.67401 4.83909 2.07095 -187.04266 519.66294
1645.0000 -193.05407 -188.76419 4.28989 2.03412 -187.70345 484.52412
1650.0000 -191.72733 -186.31217 5.41516 2.03289 -187.72541 485.82001
1655.0000 -191.59832 -186.43112 5.16719 2.09046 -186.69259 527.43032
1660.0000 -191.35429 -186.10881 5.24548 2.07666 -186.94006 518.99134
1665.0000 -191.68931 -186.94846 4.74086 2.10747 -186.38744 547.00920
1670.0000 -192.54280 -187.37277 5.17003 2.08094 -186.86344 532.09511
1675.0000 -192.64617 -188.08603 4.56015 2.03384 -187.70839 499.63368
1680.0000 -192.24097 -186.80116 5.43982 2.04732 -187.46650 487.10996
1685.0000 -193.09426 -187.36053 5.73373 2.06789 -187.09745 503.05784
1690.0000 -191.23787 -186.83346 4.40441 2.06310 -187.18341 480.91825
1695.0000 -191.60505 -186.63061 4.97445 2.08748 -186.74606 495.53647
1700.0000 -191.77110 -187.26087 4.51023 2.06726 -187.10886 481.68148
1705.0000 -191.93426 -187.42446 4.50980 2.07726 -186.92942 511.64734
1710.0000 -192.75928 -187.15799 5.60130 2.07238 -187.01695 528.86726
1715.0000 -191.72101 -186.19878 5.52223 2.11412 -186.26804 551.42998
1720.0000 -191.37761 -186.07170 5.30591 2.10813 -186.37559 541.75544
1725.0000 -192.71747 -187.65986 5.05760 2.06644 -187.12353 522.72588
1730.0000 -193.36725 -188.80879 4.55847 2.01577 -188.03267 482.04810
1735.0000 -192.44028 -187.49523 4.94506 2.01839 -187.98564 488.98536
1740.0000 -191.45771 -186.44813 5.00958 2.08838 -186.72978 541.51256
1745.0000 -191.64246 -186.42914 5.21332 2.09159 -186.67226 526.30154
1750.0000 -192.38634 -187.44283 4.94351 2.07134 -187.03559 509.27271
MELTING PROCESS: loop number 8 T-loop= 522.00000000000000
main_MD> interactions number 8 at Temperature= 522.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.41856 1.66595 2.10531
force_rgl> df(natom) 0.97665 -0.67796 -0.45145
1755.0000 -192.26983 -187.29896 4.97087 2.03909 -187.61426 493.11303
1760.0000 -191.61363 -186.51076 5.10288 2.09943 -186.53153 544.18852
1765.0000 -192.29527 -186.80656 5.48872 2.10111 -186.50141 542.15121
1770.0000 -192.26263 -187.10426 5.15837 2.06251 -187.19410 537.33658
1775.0000 -192.10464 -187.57542 4.52922 2.03285 -187.72611 517.88717
1780.0000 -193.07318 -187.78225 5.29093 2.04556 -187.49814 521.45454
1785.0000 -192.10013 -187.30721 4.79292 2.04653 -187.48074 527.02859
1790.0000 -192.56280 -187.64291 4.91988 2.04800 -187.45430 523.68500
1795.0000 -193.64462 -189.14237 4.50226 1.98784 -188.53369 485.40221
1800.0000 -192.81215 -187.75672 5.05543 1.97216 -188.81507 458.78421
1805.0000 -192.11623 -187.49650 4.61973 2.03390 -187.70729 516.42378
1810.0000 -193.00894 -187.78078 5.22816 2.03013 -187.77492 513.74995
1815.0000 -192.13935 -186.81493 5.32442 2.08985 -186.70345 554.21489
1820.0000 -192.03945 -186.28138 5.75808 2.09358 -186.63654 557.59931
1825.0000 -191.89180 -187.06700 4.82480 2.08338 -186.81951 545.74405
1830.0000 -192.46110 -188.27666 4.18444 2.03803 -187.63334 499.23253
1835.0000 -192.62405 -187.19554 5.42851 2.04325 -187.53957 507.06441
1840.0000 -192.36399 -187.32317 5.04083 2.07766 -186.92215 538.50657
1845.0000 -193.30380 -188.00248 5.30132 2.04666 -187.47833 504.29443
1850.0000 -192.69883 -187.99072 4.70811 2.02650 -187.84007 485.44857
1855.0000 -192.00660 -187.00423 5.00237 2.05472 -187.33373 510.09673
1860.0000 -191.71116 -186.49647 5.21469 2.07795 -186.91693 534.37994
1865.0000 -192.89292 -188.22510 4.66783 2.05383 -187.34985 486.46506
1870.0000 -192.78915 -187.77949 5.00965 2.01403 -188.06381 466.44538
1875.0000 -191.55592 -186.42985 5.12607 2.05694 -187.29392 505.92627
1880.0000 -192.97644 -188.03917 4.93727 2.06359 -187.17464 523.75367
1885.0000 -192.97819 -187.33424 5.64395 2.03622 -187.66577 514.17893
1890.0000 -192.29478 -187.46330 4.83148 2.05514 -187.32629 518.43847
1895.0000 -192.22115 -187.08663 5.13453 2.05617 -187.30776 525.54532
1900.0000 -192.27579 -187.06980 5.20599 2.10282 -186.47077 549.77491
1905.0000 -191.72656 -186.45936 5.26720 2.07730 -186.92865 535.75479
1910.0000 -192.62439 -187.11969 5.50471 2.06152 -187.21174 526.53986
1915.0000 -192.01508 -187.54526 4.46982 2.03651 -187.66054 498.68048
1920.0000 -192.47842 -188.00442 4.47400 2.04022 -187.59398 493.04013
1925.0000 -190.77077 -185.51759 5.25318 2.09296 -186.64777 506.17005
1930.0000 -191.59814 -185.74647 5.85167 2.16529 -185.34992 575.52432
1935.0000 -190.42724 -185.00233 5.42490 2.16991 -185.26698 578.64352
1940.0000 -191.84751 -186.82221 5.02530 2.11689 -186.21827 536.15529
1945.0000 -191.82222 -186.23458 5.58763 2.10371 -186.45485 517.56128
1950.0000 -190.47147 -185.10375 5.36773 2.14277 -185.75390 536.76808
1955.0000 -191.70757 -186.15041 5.55716 2.14451 -185.72268 527.46276
1960.0000 -190.19601 -185.19867 4.99733 2.13840 -185.83237 525.50148
1965.0000 -191.15691 -185.81197 5.34493 2.19404 -184.83402 547.04440
1970.0000 -191.23102 -186.76626 4.46475 2.12441 -186.08348 516.46017
1975.0000 -191.06845 -186.30845 4.76000 2.10245 -186.47750 497.52890
1980.0000 -190.83315 -186.03754 4.79561 2.12078 -186.14852 510.55427
1985.0000 -190.71807 -185.38885 5.32922 2.14975 -185.62875 530.59569
1990.0000 -190.13581 -185.76058 4.37523 2.13668 -185.86329 518.11729
1995.0000 -190.64329 -185.73266 4.91063 2.16064 -185.43335 533.42262
2000.0000 -190.39396 -185.17990 5.21406 2.14837 -185.65344 515.10761
MELTING PROCESS: loop number 9 T-loop= 547.00000000000000
main_MD> interactions number 9 at Temperature= 547.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.39259 -0.12894 2.63319
force_rgl> df(natom) 1.56091 -1.12450 0.82943
2005.0000 -190.78933 -185.40988 5.37944 2.13806 -185.83850 515.66090
2010.0000 -191.01030 -185.62916 5.38114 2.13755 -185.84771 535.58390
2015.0000 -191.57550 -186.90249 4.67301 2.16761 -185.30838 561.02024
2020.0000 -190.99293 -186.33709 4.65584 2.08268 -186.83210 493.61813
2025.0000 -191.09539 -186.03343 5.06196 2.12548 -186.06424 537.61836
2030.0000 -190.94893 -185.60621 5.34272 2.12937 -185.99449 556.01781
2035.0000 -191.09990 -186.22220 4.87770 2.15356 -185.56034 551.99276
2040.0000 -190.85342 -185.47020 5.38321 2.15307 -185.56922 527.44231
2045.0000 -190.73179 -185.41658 5.31521 2.14642 -185.68852 514.30586
2050.0000 -190.01329 -185.14422 4.86908 2.15395 -185.55338 531.53201
2055.0000 -190.36899 -185.28393 5.08506 2.17592 -185.15915 539.90911
2060.0000 -190.14378 -184.20596 5.93782 2.18950 -184.91554 563.12763
2065.0000 -190.25175 -184.81119 5.44055 2.23932 -184.02159 596.59658
2070.0000 -191.20367 -185.31254 5.89114 2.18421 -185.01041 561.77993
2075.0000 -191.50740 -186.37207 5.13533 2.13354 -185.91952 529.31772
2080.0000 -190.84527 -185.38196 5.46332 2.16913 -185.28096 536.04323
2085.0000 -191.40887 -185.91163 5.49724 2.13216 -185.94444 521.47114
2090.0000 -190.34002 -183.83972 6.50030 2.20380 -184.65895 578.47490
2095.0000 -191.12938 -185.14748 5.98190 2.24766 -183.87197 604.97794
2100.0000 -189.52686 -184.34083 5.18603 2.22120 -184.34682 588.22555
2105.0000 -190.31046 -184.63465 5.67581 2.21415 -184.47334 566.33694
2110.0000 -189.50830 -185.19292 4.31538 2.18795 -184.94330 559.05572
2115.0000 -190.60809 -185.89180 4.71628 2.14935 -185.63596 524.57766
2120.0000 -190.85025 -186.52210 4.32815 2.13585 -185.87809 525.78167
2125.0000 -191.07707 -186.36397 4.71310 2.10521 -186.42795 506.92033
2130.0000 -191.55822 -186.93567 4.62254 2.10119 -186.50001 511.89323
2135.0000 -190.75345 -185.34311 5.41034 2.10699 -186.39592 513.97299
2140.0000 -190.61928 -185.12406 5.49522 2.18142 -185.06058 555.42841
2145.0000 -189.22689 -183.37849 5.84840 2.21593 -184.44132 581.91676
2150.0000 -190.75589 -184.82430 5.93158 2.21646 -184.43187 569.80922
2155.0000 -191.02583 -185.00857 6.01726 2.18840 -184.93531 564.79276
2160.0000 -190.84250 -184.21132 6.63117 2.19263 -184.85947 567.55176
2165.0000 -189.82016 -184.35538 5.46478 2.21443 -184.46820 582.86436
2170.0000 -190.64626 -185.09627 5.55000 2.19207 -184.86947 555.22290
2175.0000 -190.60811 -185.01026 5.59785 2.18673 -184.96525 545.62399
2180.0000 -190.64313 -184.74697 5.89616 2.19166 -184.87675 559.87294
2185.0000 -191.52720 -184.85077 6.67643 2.17556 -185.16565 558.71349
2190.0000 -189.89594 -184.69848 5.19747 2.18269 -185.03780 555.78885
2195.0000 -189.98926 -185.37263 4.61663 2.16219 -185.40557 526.41172
2200.0000 -190.23354 -185.19296 5.04058 2.14199 -185.76795 517.92141
2205.0000 -190.72329 -184.71147 6.01182 2.17593 -185.15895 552.86327
2210.0000 -191.27928 -184.56510 6.71418 2.19157 -184.87842 594.49623
2215.0000 -190.85529 -184.82463 6.03067 2.17615 -185.15507 577.25089
2220.0000 -190.94223 -184.81576 6.12646 2.19286 -184.85518 608.34438
2225.0000 -191.22030 -185.46135 5.75895 2.17632 -185.15207 581.03212
2230.0000 -189.35403 -183.74734 5.60669 2.19472 -184.82198 560.00373
2235.0000 -190.57861 -185.33135 5.24725 2.22852 -184.21543 579.83850
2240.0000 -189.83345 -184.72747 5.10598 2.15605 -185.51568 537.32033
2245.0000 -190.84879 -185.18574 5.66305 2.15767 -185.48663 539.47000
2250.0000 -190.02263 -185.23846 4.78416 2.16204 -185.40831 546.26807
MELTING PROCESS: loop number 10 T-loop= 572.00000000000000
main_MD> interactions number 10 at Temperature= 572.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34385 -2.64006 -1.85444
force_rgl> df(natom) 1.77942 -0.98953 -3.17024
2255.0000 -188.95387 -183.51792 5.43596 2.22381 -184.29999 582.80724
2260.0000 -188.38551 -183.07574 5.30977 2.27909 -183.30818 612.08751
2265.0000 -189.23352 -183.20629 6.02723 2.30171 -182.90232 643.97005
2270.0000 -189.97357 -183.56684 6.40673 2.28941 -183.12300 596.93164
2275.0000 -188.36779 -182.45895 5.90884 2.30265 -182.88547 637.84335
2280.0000 -189.28727 -184.03292 5.25435 2.29170 -183.08186 615.23419
2285.0000 -189.80647 -184.31610 5.49037 2.22834 -184.21869 570.93368
2290.0000 -190.86418 -184.74352 6.12066 2.24994 -183.83107 576.23274
2295.0000 -190.13903 -184.97828 5.16075 2.16972 -185.27039 543.47627
2300.0000 -190.37207 -184.57198 5.80008 2.19938 -184.73833 561.03034
2305.0000 -191.40115 -185.59439 5.80675 2.17247 -185.22103 569.86095
2310.0000 -190.86719 -186.04004 4.82716 2.12528 -186.06784 561.48274
2315.0000 -191.44389 -186.69239 4.75150 2.11328 -186.28309 521.55024
2320.0000 -190.63035 -185.17600 5.45435 2.14428 -185.72681 545.27565
2325.0000 -190.66446 -185.97459 4.68987 2.16252 -185.39955 532.48687
2330.0000 -190.84248 -185.09489 5.74759 2.14412 -185.72985 532.94620
2335.0000 -191.46718 -185.83309 5.63410 2.15924 -185.45847 542.88115
2340.0000 -191.34446 -185.85078 5.49368 2.14588 -185.69826 533.59106
2345.0000 -191.33516 -185.35273 5.98243 2.16714 -185.31681 540.93502
2350.0000 -189.86787 -184.74375 5.12411 2.19005 -184.90577 553.32860
2355.0000 -189.20113 -183.48493 5.71621 2.27276 -183.42160 612.92065
2360.0000 -190.30393 -184.02350 6.28043 2.26759 -183.51443 613.62638
2365.0000 -190.51084 -185.51706 4.99378 2.21080 -184.53345 584.04926
2370.0000 -191.32868 -185.98394 5.34474 2.18367 -185.02010 580.65972
2375.0000 -191.30212 -185.56472 5.73740 2.16862 -185.29010 565.25191
2380.0000 -189.52709 -183.83718 5.68991 2.21556 -184.44800 577.74892
2385.0000 -190.70257 -184.91585 5.78672 2.22967 -184.19482 586.83303
2390.0000 -190.54550 -185.04475 5.50075 2.19380 -184.83839 574.92134
2395.0000 -190.89595 -185.63818 5.25776 2.15256 -185.57839 556.70465
2400.0000 -191.52885 -186.50879 5.02005 2.12282 -186.11196 519.95376
2405.0000 -190.41082 -185.03666 5.37416 2.11894 -186.18158 502.39424
2410.0000 -190.65023 -184.71670 5.93354 2.19469 -184.82240 570.48741
2415.0000 -189.64652 -184.32233 5.32419 2.24554 -183.91007 612.81676
2420.0000 -190.81286 -184.00086 6.81200 2.22676 -184.24696 570.55505
2425.0000 -190.20729 -183.90667 6.30063 2.25222 -183.79024 608.54751
2430.0000 -188.97206 -183.60628 5.36578 2.24838 -183.85908 600.90366
2435.0000 -190.63827 -184.45611 6.18216 2.21203 -184.51127 577.07467
2440.0000 -190.44825 -184.72360 5.72464 2.19522 -184.81295 555.94615
2445.0000 -189.52698 -184.10167 5.42531 2.18584 -184.98123 547.43174
2450.0000 -190.03986 -184.88997 5.14989 2.21180 -184.51549 570.30362
2455.0000 -191.18630 -186.21635 4.96996 2.12996 -185.98378 527.16707
2460.0000 -191.25195 -185.11939 6.13255 2.13295 -185.93020 544.18360
2465.0000 -191.80815 -185.43583 6.37232 2.16916 -185.28042 572.84788
2470.0000 -190.60790 -184.72575 5.88215 2.18153 -185.05861 579.66788
2475.0000 -190.25342 -183.88016 6.37325 2.25213 -183.79189 616.45076
2480.0000 -190.22870 -184.31869 5.91001 2.23343 -184.12739 603.37090
2485.0000 -191.17719 -185.03839 6.13880 2.21721 -184.41832 593.48121
2490.0000 -190.30743 -185.37341 4.93403 2.19989 -184.72913 566.99325
2495.0000 -190.84896 -185.11659 5.73236 2.20090 -184.71105 590.20774
2500.0000 -190.81576 -185.16492 5.65085 2.17899 -185.10413 577.22138
MELTING PROCESS: loop number 11 T-loop= 597.00000000000000
main_MD> interactions number 11 at Temperature= 597.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90519 1.49117 -2.67168
force_rgl> df(natom) -3.83414 1.91575 -0.62810
2505.0000 -190.02613 -183.80948 6.21665 2.23478 -184.10319 609.37334
2510.0000 -189.10391 -183.61392 5.48999 2.26658 -183.53261 629.34551
2515.0000 -191.86215 -185.82307 6.03908 2.18309 -185.03059 572.31448
2520.0000 -191.13493 -185.27562 5.85931 2.16039 -185.43793 563.06022
2525.0000 -190.43846 -184.82842 5.61004 2.15305 -185.56957 544.73655
2530.0000 -190.36192 -184.34274 6.01918 2.20314 -184.67080 575.32293
2535.0000 -188.98637 -183.56921 5.41716 2.26577 -183.54719 613.75839
2540.0000 -190.37662 -185.70681 4.66980 2.20700 -184.60162 539.96027
2545.0000 -189.20321 -183.65310 5.55011 2.16948 -185.27470 546.91538
2550.0000 -189.98636 -183.75610 6.23026 2.26169 -183.62027 613.01720
2555.0000 -188.88499 -183.02491 5.86008 2.27125 -183.44874 597.76388
2560.0000 -190.92335 -184.82839 6.09496 2.24828 -183.86088 601.85734
2565.0000 -191.67305 -185.68065 5.99240 2.18259 -185.03956 568.00737
2570.0000 -190.03285 -185.25939 4.77345 2.16941 -185.27601 580.06087
2575.0000 -189.75096 -182.91241 6.83854 2.23614 -184.07865 607.72477
2580.0000 -189.22983 -184.13631 5.09353 2.28065 -183.28003 622.32947
2585.0000 -189.60826 -184.14849 5.45976 2.22385 -184.29932 571.41059
2590.0000 -190.44575 -184.92286 5.52289 2.17628 -185.15271 548.91330
2595.0000 -189.55838 -184.25720 5.30118 2.23164 -184.15940 577.77697
2600.0000 -190.41337 -184.37703 6.03634 2.22471 -184.28376 589.77664
2605.0000 -190.55393 -184.24183 6.31209 2.21560 -184.44719 576.47394
2610.0000 -191.47695 -185.83206 5.64489 2.17730 -185.13447 553.59956
2615.0000 -191.48705 -185.54655 5.94049 2.14783 -185.66317 526.68706
2620.0000 -190.19280 -184.62749 5.56531 2.17414 -185.19109 538.69787
2625.0000 -189.46156 -183.19422 6.26734 2.23249 -184.14424 590.71719
2630.0000 -189.55206 -183.12182 6.43024 2.29284 -183.06149 624.91679
2635.0000 -188.30926 -182.85606 5.45319 2.31403 -182.68116 629.66284
2640.0000 -190.62399 -184.04638 6.57761 2.27970 -183.29709 613.73773
2645.0000 -189.20913 -183.67292 5.53620 2.25328 -183.77111 568.04862
2650.0000 -190.13167 -184.58187 5.54980 2.22401 -184.29634 570.64672
2655.0000 -190.91903 -184.65539 6.26364 2.22572 -184.26568 583.46827
2660.0000 -190.05118 -184.13802 5.91317 2.23476 -184.10357 602.09129
2665.0000 -191.02189 -184.56611 6.45578 2.22512 -184.27646 571.62160
2670.0000 -189.32255 -184.14586 5.17669 2.19522 -184.81290 553.66233
2675.0000 -189.56506 -183.59224 5.97282 2.25451 -183.74918 604.34044
2680.0000 -189.34736 -183.93456 5.41280 2.23797 -184.04591 581.56205
2685.0000 -189.56380 -183.77014 5.79367 2.23884 -184.03035 602.15483
2690.0000 -189.74478 -183.70398 6.04080 2.21673 -184.42691 565.44011
2695.0000 -189.51217 -183.89336 5.61882 2.28635 -183.17793 621.17920
2700.0000 -189.62911 -183.81403 5.81509 2.21669 -184.42768 573.58580
2705.0000 -188.58130 -183.67279 4.90851 2.25456 -183.74820 590.83620
2710.0000 -190.31692 -184.66242 5.65450 2.22621 -184.25695 575.93775
2715.0000 -189.46269 -183.49106 5.97163 2.28290 -183.23980 602.70367
2720.0000 -190.36804 -184.68842 5.67961 2.25549 -183.73147 609.51265
2725.0000 -189.72662 -184.73164 4.99498 2.17280 -185.21510 537.76226
2730.0000 -189.15107 -183.13880 6.01227 2.23165 -184.15922 573.42628
2735.0000 -189.70211 -184.85879 4.84332 2.23418 -184.11385 579.39778
2740.0000 -189.09624 -183.47831 5.61793 2.26453 -183.56931 598.91723
2745.0000 -190.61214 -184.87332 5.73882 2.23648 -184.07265 599.38487
2750.0000 -189.90950 -183.47443 6.43507 2.23704 -184.06260 602.31353
MELTING PROCESS: loop number 12 T-loop= 622.00000000000000
main_MD> interactions number 12 at Temperature= 622.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.96260 -1.29871 -1.33636
force_rgl> df(natom) -1.44449 -1.09834 2.03936
2755.0000 -189.34759 -183.11717 6.23041 2.25038 -183.82330 615.07012
2760.0000 -189.85068 -183.45342 6.39726 2.25872 -183.67359 614.89206
2765.0000 -188.64552 -181.99185 6.65368 2.30363 -182.86778 650.29561
2770.0000 -187.92326 -181.88208 6.04118 2.35463 -181.95268 670.16586
2775.0000 -189.44283 -183.48413 5.95870 2.28280 -183.24162 614.66745
2780.0000 -187.92612 -182.83515 5.09097 2.31178 -182.72164 620.17455
2785.0000 -188.33834 -181.59332 6.74502 2.30749 -182.79860 623.49709
2790.0000 -189.55529 -182.44422 7.11107 2.33934 -182.22705 660.89690
2795.0000 -189.52021 -182.81019 6.71002 2.30394 -182.86217 618.41556
2800.0000 -188.81414 -182.71326 6.10088 2.29979 -182.93674 605.56035
2805.0000 -188.41460 -182.37477 6.03982 2.33380 -182.32642 632.48252
2810.0000 -187.90373 -181.06284 6.84089 2.40306 -181.08383 690.83720
2815.0000 -187.97494 -182.20690 5.76804 2.36446 -181.77636 646.96354
2820.0000 -188.72754 -182.60309 6.12445 2.30908 -182.77000 641.87845
2825.0000 -188.91726 -182.11999 6.79728 2.35546 -181.93783 694.80666
2830.0000 -188.80070 -182.77444 6.02626 2.33355 -182.33095 654.90925
2835.0000 -189.60922 -182.69190 6.91732 2.30365 -182.86750 639.74128
2840.0000 -189.76298 -184.07965 5.68333 2.30141 -182.90757 657.36544
2845.0000 -189.64903 -182.96778 6.68125 2.26676 -183.52938 612.15130
2850.0000 -187.94973 -182.22420 5.72552 2.31935 -182.58573 645.25135
2855.0000 -188.39135 -182.17881 6.21254 2.32414 -182.49987 634.71704
2860.0000 -189.04526 -182.60832 6.43695 2.32870 -182.41791 635.79632
2865.0000 -189.55501 -183.03159 6.52343 2.31754 -182.61827 638.69772
2870.0000 -189.55347 -183.14079 6.41268 2.29582 -183.00798 643.10350
2875.0000 -188.62753 -183.12544 5.50210 2.28549 -183.19325 635.58905
2880.0000 -190.15533 -184.02283 6.13250 2.26672 -183.52998 623.99946
2885.0000 -189.92831 -183.63823 6.29008 2.24660 -183.89107 590.53951
2890.0000 -188.30202 -182.97286 5.32916 2.27627 -183.35879 610.66737
2895.0000 -190.02293 -184.15276 5.87017 2.28350 -183.22899 620.33539
2900.0000 -190.27933 -183.84025 6.43908 2.22336 -184.30798 570.84630
2905.0000 -190.16570 -184.45371 5.71199 2.25440 -183.75103 613.31506
2910.0000 -189.02781 -183.58015 5.44767 2.24868 -183.85378 605.80944
2915.0000 -190.93786 -184.34863 6.58923 2.20242 -184.68379 584.08315
2920.0000 -188.89817 -182.85479 6.04338 2.25598 -183.72266 650.92009
2925.0000 -188.87691 -182.94423 5.93269 2.28664 -183.17272 630.85655
2930.0000 -187.32256 -180.73983 6.58273 2.37352 -181.61388 673.19933
2935.0000 -188.41480 -181.90510 6.50970 2.39390 -181.24815 689.20829
2940.0000 -189.52325 -183.40909 6.11416 2.33878 -182.23717 664.68793
2945.0000 -188.45935 -182.98958 5.46977 2.28502 -183.20169 604.71772
2950.0000 -189.60578 -184.06168 5.54410 2.26909 -183.48757 600.75979
2955.0000 -189.29053 -182.96620 6.32434 2.28439 -183.21304 613.59738
2960.0000 -190.02065 -185.06552 4.95513 2.25411 -183.75638 604.95447
2965.0000 -190.27221 -184.29680 5.97541 2.14457 -185.72165 541.81534
2970.0000 -190.04238 -184.89459 5.14780 2.20855 -184.57382 580.38523
2975.0000 -189.91606 -183.02806 6.88801 2.24871 -183.85322 595.24642
2980.0000 -189.81720 -183.45454 6.36266 2.30437 -182.85457 633.29021
2985.0000 -189.86029 -183.03883 6.82146 2.28575 -183.18853 629.79813
2990.0000 -189.70075 -183.26610 6.43464 2.31503 -182.66330 664.69162
2995.0000 -188.67840 -183.09622 5.58218 2.28800 -183.14825 636.71887
3000.0000 -188.13907 -182.10137 6.03769 2.33039 -182.38772 666.78893
MELTING PROCESS: loop number 13 T-loop= 647.00000000000000
main_MD> interactions number 13 at Temperature= 647.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.25868 0.68849 -3.14945
force_rgl> df(natom) 1.65326 -2.70492 2.42691
3005.0000 -188.11237 -180.86373 7.24864 2.38994 -181.31921 665.52389
3010.0000 -188.24019 -182.93261 5.30758 2.34243 -182.17167 651.28840
3015.0000 -188.48025 -182.23635 6.24390 2.29400 -183.04050 622.19655
3020.0000 -189.66942 -182.95068 6.71875 2.33802 -182.25072 651.54717
3025.0000 -189.29382 -182.81596 6.47786 2.28236 -183.24936 636.46152
3030.0000 -189.59133 -183.90198 5.68934 2.27712 -183.34352 628.52044
3035.0000 -189.24840 -183.45514 5.79326 2.26593 -183.54417 615.26080
3040.0000 -190.38282 -183.85908 6.52374 2.23695 -184.06427 598.82922
3045.0000 -189.30066 -183.21462 6.08604 2.24085 -183.99420 622.59366
3050.0000 -187.88070 -181.97859 5.90210 2.35405 -181.96319 678.57674
3055.0000 -188.83668 -182.77831 6.05837 2.32090 -182.55794 642.93914
3060.0000 -189.40024 -183.27746 6.12278 2.31996 -182.57484 643.88931
3065.0000 -189.49398 -183.33566 6.15833 2.28200 -183.25598 621.71396
3070.0000 -188.20336 -181.74626 6.45710 2.34183 -182.18238 636.97334
3075.0000 -189.07418 -182.22441 6.84977 2.35602 -181.92784 656.72470
3080.0000 -188.83546 -182.88977 5.94569 2.31234 -182.71159 650.32492
3085.0000 -190.03566 -183.06588 6.96978 2.29834 -182.96264 637.56345
3090.0000 -189.71305 -182.93548 6.77757 2.35093 -182.01909 665.22219
3095.0000 -188.29109 -182.38396 5.90713 2.33850 -182.24224 679.79651
3100.0000 -189.59080 -183.78833 5.80247 2.30407 -182.85999 636.17639
3105.0000 -188.82942 -183.09753 5.73189 2.28889 -183.13229 634.10951
3110.0000 -189.29096 -182.51664 6.77432 2.30591 -182.82697 637.11458
3115.0000 -189.73912 -183.25773 6.48139 2.32362 -182.50910 647.16776
3120.0000 -188.65778 -182.13923 6.51855 2.30947 -182.76301 623.03182
3125.0000 -189.00745 -181.49570 7.51176 2.36427 -181.77973 632.19377
3130.0000 -189.15374 -182.85191 6.30183 2.33918 -182.23002 655.36760
3135.0000 -189.43992 -183.63229 5.80763 2.31360 -182.68894 653.74229
3140.0000 -189.39996 -184.03931 5.36064 2.25671 -183.70972 598.01829
3145.0000 -190.83206 -184.50648 6.32558 2.23103 -184.17044 607.65712
3150.0000 -189.42714 -183.49474 5.93240 2.25081 -183.81550 632.93912
3155.0000 -189.87374 -184.62018 5.25356 2.27509 -183.37989 609.09807
3160.0000 -189.42619 -183.95112 5.47508 2.22285 -184.31713 584.18644
3165.0000 -189.88527 -184.66074 5.22453 2.20136 -184.70272 569.59861
3170.0000 -189.64807 -182.47146 7.17660 2.25867 -183.67450 635.49705
3175.0000 -189.43324 -183.04650 6.38674 2.30167 -182.90303 651.14808
3180.0000 -189.33852 -182.65066 6.68786 2.33448 -182.31437 653.99805
3185.0000 -189.94786 -183.38301 6.56485 2.29083 -183.09744 629.91250
3190.0000 -189.00031 -182.93628 6.06402 2.28318 -183.23478 621.73786
3195.0000 -189.47308 -182.56809 6.90498 2.28263 -183.24465 627.13402
3200.0000 -188.10795 -182.37628 5.73167 2.34748 -182.08102 686.30010
3205.0000 -189.43968 -183.25336 6.18632 2.33184 -182.36169 647.13309
3210.0000 -189.33094 -182.21327 7.11767 2.31303 -182.69921 648.77052
3215.0000 -188.23524 -181.37176 6.86348 2.34591 -182.10919 690.18393
3220.0000 -186.98895 -179.65198 7.33697 2.44327 -180.36233 750.48870
3225.0000 -190.06796 -183.35637 6.71159 2.41167 -180.92929 701.00504
3230.0000 -189.25416 -183.14095 6.11321 2.29728 -182.98181 626.44487
3235.0000 -189.28565 -183.09068 6.19496 2.28997 -183.11286 657.55379
3240.0000 -190.19722 -183.63882 6.55840 2.27534 -183.37545 620.02746
3245.0000 -188.76982 -182.60448 6.16534 2.29873 -182.95575 621.97206
3250.0000 -189.53148 -183.01398 6.51750 2.31202 -182.71724 635.43811
MELTING PROCESS: loop number 14 T-loop= 672.00000000000000
main_MD> interactions number 14 at Temperature= 672.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.36758 -3.09170 0.61353
force_rgl> df(natom) 0.41973 0.40143 -1.52434
3255.0000 -188.02765 -182.26104 5.76661 2.36434 -181.77850 659.03536
3260.0000 -188.87883 -182.22839 6.65045 2.34136 -182.19078 661.87829
3265.0000 -188.10183 -180.28656 7.81527 2.37704 -181.55064 684.29127
3270.0000 -187.49861 -180.88917 6.60944 2.42531 -180.68451 697.22338
3275.0000 -188.81417 -181.15033 7.66384 2.43007 -180.59918 700.28433
3280.0000 -187.74953 -180.97846 6.77106 2.40586 -181.03365 678.90554
3285.0000 -186.90476 -181.17469 5.73007 2.41356 -180.89539 699.66405
3290.0000 -188.80043 -182.08559 6.71484 2.38165 -181.46787 649.16844
3295.0000 -188.35609 -181.80991 6.54618 2.36268 -181.80835 634.84301
3300.0000 -187.54707 -181.18695 6.36012 2.37717 -181.54835 666.40935
3305.0000 -187.75550 -180.97639 6.77911 2.42513 -180.68787 698.68136
3310.0000 -188.09817 -181.36612 6.73205 2.36560 -181.75597 669.89410
3315.0000 -189.15541 -181.45687 7.69854 2.42146 -180.75370 710.43411
3320.0000 -188.97473 -182.50157 6.47315 2.35842 -181.88482 646.47109
3325.0000 -188.56802 -181.61929 6.94873 2.35591 -181.92981 654.76989
3330.0000 -189.37837 -183.10024 6.27813 2.32553 -182.47486 668.27799
3335.0000 -188.92947 -182.70202 6.22745 2.30886 -182.77406 656.24876
3340.0000 -187.24086 -180.90885 6.33201 2.34794 -182.07272 673.69015
3345.0000 -187.87988 -181.70072 6.17916 2.37849 -181.52464 708.78394
3350.0000 -188.99777 -182.35804 6.63973 2.37269 -181.62877 705.67511
3355.0000 -189.04555 -181.83611 7.20944 2.36705 -181.72997 661.94868
3360.0000 -187.62524 -181.19595 6.42929 2.33650 -182.27806 647.85737
3365.0000 -187.81565 -181.46534 6.35032 2.42103 -180.76136 708.77113
3370.0000 -188.18394 -180.68845 7.49549 2.34942 -182.04621 655.22848
3375.0000 -187.59303 -180.53825 7.05477 2.41576 -180.85601 720.17495
3380.0000 -187.66053 -180.88129 6.77924 2.39778 -181.17857 691.36967
3385.0000 -189.07742 -182.48267 6.59475 2.35364 -181.97055 657.30521
3390.0000 -188.22688 -181.57426 6.65262 2.37077 -181.66310 669.57502
3395.0000 -187.97121 -181.90147 6.06974 2.37075 -181.66346 664.81880
3400.0000 -187.55241 -180.81164 6.74077 2.38366 -181.43183 673.07813
3405.0000 -187.93355 -180.79834 7.13520 2.42613 -180.66983 716.10533
3410.0000 -189.21974 -182.33135 6.88839 2.39441 -181.23900 682.38822
3415.0000 -189.76693 -183.87810 5.88884 2.28419 -183.21662 627.56708
3420.0000 -190.10821 -184.09931 6.00890 2.26327 -183.59200 619.23053
3425.0000 -188.02943 -181.69955 6.32988 2.30246 -182.88886 615.16871
3430.0000 -189.60938 -181.98615 7.62323 2.37111 -181.65701 656.70907
3435.0000 -188.57521 -182.97556 5.59965 2.35193 -182.00121 663.61554
3440.0000 -188.77396 -181.95552 6.81844 2.38460 -181.41496 669.76454
3445.0000 -188.80546 -181.50786 7.29760 2.37974 -181.50226 661.67027
3450.0000 -188.31774 -181.48163 6.83611 2.37302 -181.62287 691.11643
3455.0000 -186.81808 -180.61584 6.20225 2.36212 -181.81845 678.55881
3460.0000 -187.84120 -181.59642 6.24478 2.39882 -181.15981 690.49383
3465.0000 -188.23633 -182.73579 5.50054 2.33563 -182.29368 632.46440
3470.0000 -188.08019 -181.74784 6.33235 2.33662 -182.27589 637.50155
3475.0000 -189.78055 -183.78458 5.99597 2.29697 -182.98728 630.49039
3480.0000 -189.33421 -182.99322 6.34099 2.29141 -183.08710 613.25122
3485.0000 -188.43241 -183.14825 5.28416 2.32134 -182.55006 636.55879
3490.0000 -190.03235 -182.34946 7.68289 2.29872 -182.95596 634.68512
3495.0000 -189.00629 -182.35522 6.65107 2.34345 -182.15337 674.76068
3500.0000 -188.45164 -182.50032 5.95132 2.33901 -182.23298 663.04872
MELTING PROCESS: loop number 15 T-loop= 697.00000000000000
main_MD> interactions number 15 at Temperature= 697.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.02786 -2.26117 -0.43769
force_rgl> df(natom) -0.76848 1.29398 -1.49736
3505.0000 -187.67370 -181.61543 6.05827 2.35598 -181.92861 677.92692
3510.0000 -187.17397 -180.37062 6.80336 2.39092 -181.30162 687.88499
3515.0000 -187.84949 -180.77440 7.07508 2.41584 -180.85444 705.49882
3520.0000 -187.11124 -180.47194 6.63930 2.42542 -180.68255 714.87912
3525.0000 -187.21466 -179.67051 7.54415 2.47898 -179.72171 735.39176
3530.0000 -188.43206 -181.06913 7.36292 2.46840 -179.91147 730.64674
3535.0000 -188.32926 -180.73730 7.59196 2.44641 -180.30599 750.16715
3540.0000 -188.17447 -180.65568 7.51879 2.43475 -180.51529 699.51708
3545.0000 -188.72858 -181.23256 7.49602 2.41298 -180.90587 699.93334
3550.0000 -188.29645 -181.45458 6.84187 2.39736 -181.18613 696.44672
3555.0000 -188.86161 -182.16781 6.69380 2.35179 -182.00374 668.93219
3560.0000 -189.17187 -182.09765 7.07422 2.34758 -182.07916 694.10687
3565.0000 -188.19165 -181.86044 6.33122 2.35643 -181.92050 695.84719
3570.0000 -188.16252 -181.95777 6.20474 2.32979 -182.39847 654.75751
3575.0000 -187.04033 -179.80206 7.23827 2.40318 -181.08175 707.74639
3580.0000 -186.65205 -179.65966 6.99239 2.47965 -179.70970 756.07686
3585.0000 -188.82912 -181.89867 6.93045 2.41423 -180.88346 706.80023
3590.0000 -188.78652 -180.82206 7.96447 2.38968 -181.32387 698.37905
3595.0000 -189.09340 -182.41468 6.67872 2.37883 -181.51860 693.77255
3600.0000 -188.25128 -180.66510 7.58619 2.36515 -181.76403 697.94136
3605.0000 -188.12675 -180.80437 7.32238 2.39670 -181.19799 693.68999
3610.0000 -188.13749 -180.79089 7.34660 2.42051 -180.77072 737.82914
3615.0000 -187.97570 -182.10771 5.86798 2.37059 -181.66637 689.08143
3620.0000 -187.08452 -180.59540 6.48912 2.37924 -181.51121 675.91498
3625.0000 -188.53619 -181.37889 7.15730 2.42178 -180.74801 717.74623
3630.0000 -187.77335 -181.56104 6.21231 2.39038 -181.31125 683.63309
3635.0000 -187.40012 -179.68524 7.71488 2.42204 -180.74327 717.71632
3640.0000 -187.46231 -181.64668 5.81563 2.43962 -180.42783 714.86051
3645.0000 -189.55141 -182.89168 6.65973 2.33143 -182.36903 664.18249
3650.0000 -190.43329 -183.79507 6.63822 2.29083 -183.09746 630.79388
3655.0000 -189.92039 -182.90568 7.01471 2.25722 -183.70042 613.59887
3660.0000 -187.49138 -181.15430 6.33708 2.38024 -181.49331 696.67241
3665.0000 -188.81980 -182.39086 6.42895 2.36196 -181.82124 657.25720
3670.0000 -189.72058 -183.25503 6.46555 2.32191 -182.53982 656.13730
3675.0000 -189.07140 -182.13106 6.94034 2.31987 -182.57644 649.03608
3680.0000 -187.75608 -181.30206 6.45402 2.36821 -181.70911 680.47531
3685.0000 -187.34030 -181.59169 5.74862 2.41142 -180.93377 695.74797
3690.0000 -187.84999 -181.78081 6.06918 2.36586 -181.75131 684.90820
3695.0000 -189.08506 -183.93642 5.14864 2.32358 -182.50995 652.47223
3700.0000 -188.20064 -181.15852 7.04212 2.34012 -182.21307 634.61594
3705.0000 -188.44940 -181.79593 6.65346 2.34069 -182.20294 638.55870
3710.0000 -187.86325 -181.24041 6.62284 2.40949 -180.96850 723.20287
3715.0000 -187.19580 -180.96114 6.23466 2.42078 -180.76581 719.86513
3720.0000 -187.58464 -180.55161 7.03303 2.42438 -180.70131 707.20260
3725.0000 -187.01493 -180.58727 6.42766 2.42566 -180.67828 713.26330
3730.0000 -188.15980 -181.09367 7.06613 2.42145 -180.75387 720.72226
3735.0000 -187.88149 -180.14069 7.74080 2.40196 -181.10362 720.16381
3740.0000 -187.47421 -180.10537 7.36884 2.45553 -180.14247 731.18510
3745.0000 -188.99623 -182.02381 6.97242 2.40723 -181.00899 734.65370
3750.0000 -188.86404 -181.35816 7.50589 2.38300 -181.44365 698.43656
MELTING PROCESS: loop number 16 T-loop= 722.00000000000000
main_MD> interactions number 16 at Temperature= 722.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93675 2.57775 -0.72370
force_rgl> df(natom) 0.58620 0.70964 1.52902
3755.0000 -187.97955 -180.87065 7.10890 2.36953 -181.68547 670.66576
3760.0000 -187.13858 -180.14273 6.99585 2.47908 -179.71980 748.69452
3765.0000 -186.55055 -179.33714 7.21340 2.50194 -179.30960 766.98395
3770.0000 -185.84467 -179.01858 6.82609 2.49688 -179.40057 775.08467
3775.0000 -187.29258 -180.49769 6.79490 2.46530 -179.96711 742.92179
3780.0000 -187.25241 -178.88609 8.36631 2.48218 -179.66427 727.59036
3785.0000 -187.77002 -180.68589 7.08413 2.48319 -179.64608 736.14036
3790.0000 -187.41904 -180.45119 6.96785 2.42137 -180.75532 726.24767
3795.0000 -188.06251 -181.32141 6.74110 2.41118 -180.93820 703.04435
3800.0000 -187.45841 -180.63197 6.82644 2.38761 -181.36097 688.96913
3805.0000 -187.33086 -179.50581 7.82506 2.48239 -179.66043 750.01580
3810.0000 -187.04753 -179.66199 7.38554 2.47416 -179.80811 749.44165
3815.0000 -186.83633 -177.81812 9.01821 2.52434 -178.90773 783.20852
3820.0000 -187.82641 -181.68202 6.14439 2.49292 -179.47152 736.66430
3825.0000 -186.65259 -179.03971 7.61288 2.47583 -179.77811 739.56064
3830.0000 -188.46129 -179.86580 8.59549 2.47826 -179.73459 745.81729
3835.0000 -187.57014 -180.27789 7.29225 2.40668 -181.01880 705.84875
3840.0000 -187.55966 -180.23012 7.32954 2.45500 -180.15198 754.61468
3845.0000 -187.27036 -179.63939 7.63097 2.44451 -180.34004 718.53505
3850.0000 -187.78787 -180.07497 7.71290 2.43385 -180.53139 718.82934
3855.0000 -187.86944 -180.24019 7.62925 2.47874 -179.72595 781.63309
3860.0000 -187.28104 -180.22310 7.05794 2.47664 -179.76354 750.56884
3865.0000 -188.38295 -181.18480 7.19814 2.38904 -181.33534 694.61303
3870.0000 -186.89531 -180.19782 6.69749 2.43028 -180.59548 694.21516
3875.0000 -186.34896 -179.53576 6.81319 2.45055 -180.23179 719.50873
3880.0000 -187.45746 -179.97759 7.47988 2.45341 -180.18038 719.64403
3885.0000 -187.45381 -180.12079 7.33301 2.44823 -180.27341 738.04237
3890.0000 -186.97692 -180.22842 6.74850 2.48977 -179.52798 728.91986
3895.0000 -188.32620 -180.42628 7.89992 2.47430 -179.80562 730.04234
3900.0000 -187.62629 -180.64309 6.98320 2.45519 -180.14857 717.09059
3905.0000 -186.93035 -180.20086 6.72949 2.46032 -180.05639 727.98678
3910.0000 -189.10198 -182.51938 6.58260 2.37162 -181.64800 662.80719
3915.0000 -187.38760 -180.98421 6.40339 2.39911 -181.15473 684.56503
3920.0000 -187.69789 -179.95958 7.73831 2.44299 -180.36733 726.24376
3925.0000 -186.81641 -181.22718 5.58923 2.42179 -180.74783 706.31988
3930.0000 -187.31389 -180.80745 6.50644 2.41319 -180.90210 695.60030
3935.0000 -188.54165 -180.74216 7.79949 2.41754 -180.82403 712.49580
3940.0000 -188.86017 -182.58985 6.27032 2.38531 -181.40221 678.22659
3945.0000 -187.82833 -181.53781 6.29052 2.38203 -181.46105 692.15890
3950.0000 -187.67462 -181.35198 6.32264 2.37084 -181.66193 678.52388
3955.0000 -185.66306 -178.10171 7.56135 2.45009 -180.23992 712.05796
3960.0000 -187.86613 -180.55100 7.31513 2.49261 -179.47702 746.21805
3965.0000 -187.69017 -181.07604 6.61412 2.43984 -180.42394 707.37102
3970.0000 -187.77270 -180.93056 6.84214 2.37995 -181.49853 690.63107
3975.0000 -188.15922 -180.98461 7.17461 2.37810 -181.53171 706.12422
3980.0000 -189.11549 -182.15789 6.95760 2.37315 -181.62039 681.80168
3985.0000 -187.83715 -180.82549 7.01167 2.38639 -181.38296 690.38748
3990.0000 -187.34739 -180.62742 6.71996 2.44181 -180.38861 743.30783
3995.0000 -186.52168 -179.59564 6.92604 2.46747 -179.92824 754.16814
4000.0000 -186.75900 -178.99448 7.76452 2.51632 -179.05174 779.55915
MELTING PROCESS: loop number 17 T-loop= 747.00000000000000
main_MD> interactions number 17 at Temperature= 747.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50825 0.32746 -0.56777
force_rgl> df(natom) -2.14410 4.80567 -0.79393
4005.0000 -187.74268 -179.48398 8.25870 2.49999 -179.34466 764.50473
4010.0000 -187.62800 -180.06293 7.56508 2.45234 -180.19965 723.65362
4015.0000 -189.07834 -182.67685 6.40149 2.40196 -181.10363 700.76861
4020.0000 -188.83933 -182.76199 6.07735 2.29788 -182.97099 660.25044
4025.0000 -187.16772 -179.85738 7.31034 2.42983 -180.60343 727.25423
4030.0000 -187.13631 -178.30561 8.83070 2.50216 -179.30581 770.60447
4035.0000 -187.33054 -179.70703 7.62351 2.55661 -178.32877 794.29782
4040.0000 -186.38283 -180.02211 6.36072 2.44882 -180.26284 717.77213
4045.0000 -187.74209 -181.58608 6.15601 2.42324 -180.72170 696.30433
4050.0000 -189.01254 -182.07643 6.93611 2.35011 -182.03380 667.22931
4055.0000 -186.96549 -180.48633 6.47917 2.38983 -181.32114 702.86919
4060.0000 -187.01190 -180.33217 6.67973 2.44185 -180.38788 725.02239
4065.0000 -188.02508 -181.44771 6.57737 2.43651 -180.48371 738.69281
4070.0000 -187.22324 -178.61332 8.60992 2.41899 -180.79808 719.52226
4075.0000 -186.52374 -178.91497 7.60877 2.55341 -178.38616 794.50611
4080.0000 -186.96106 -179.59812 7.36294 2.53056 -178.79619 767.82740
4085.0000 -186.95779 -179.98337 6.97442 2.49184 -179.49082 756.83996
4090.0000 -186.29108 -178.83242 7.45866 2.49320 -179.46645 765.32758
4095.0000 -185.64099 -178.72657 6.91442 2.53338 -178.74566 784.56867
4100.0000 -186.81546 -178.88591 7.92955 2.55050 -178.43841 811.47328
4105.0000 -186.84368 -179.14380 7.69988 2.52086 -178.97016 750.28464
4110.0000 -187.16700 -178.85680 8.31020 2.50319 -179.28731 749.49141
4115.0000 -185.97112 -178.44367 7.52745 2.56519 -178.17476 803.62051
4120.0000 -186.43816 -179.95092 6.48724 2.47773 -179.74401 730.04959
4125.0000 -185.98374 -179.38642 6.59732 2.48133 -179.67941 739.75870
4130.0000 -187.18962 -179.55088 7.63873 2.46608 -179.95313 715.10540
4135.0000 -187.92084 -181.39123 6.52960 2.48011 -179.70141 750.02671
4140.0000 -187.35640 -180.54537 6.81103 2.41789 -180.81772 708.72317
4145.0000 -187.51734 -180.68698 6.83036 2.43040 -180.59324 707.23322
4150.0000 -185.83549 -178.07955 7.75594 2.49915 -179.35977 745.73482
4155.0000 -184.91072 -178.31608 6.59464 2.57949 -177.91819 823.34143
4160.0000 -185.82907 -178.49657 7.33250 2.52556 -178.88594 766.27512
4165.0000 -185.06069 -177.79016 7.27053 2.57052 -178.07921 793.58827
4170.0000 -185.39938 -176.90260 8.49678 2.62804 -177.04719 836.13377
4175.0000 -186.67178 -179.95662 6.71517 2.51847 -179.01307 777.37064
4180.0000 -186.71730 -178.92669 7.79061 2.50466 -179.26082 771.45416
4185.0000 -187.30809 -179.24344 8.06466 2.52023 -178.98149 762.34129
4190.0000 -186.45641 -179.39343 7.06298 2.47395 -179.81187 741.98978
4195.0000 -188.07151 -180.64680 7.42471 2.47952 -179.71189 755.07034
4200.0000 -186.63128 -180.11372 6.51756 2.44959 -180.24894 734.66932
4205.0000 -186.93822 -180.34005 6.59818 2.46143 -180.03646 757.57340
4210.0000 -188.55506 -181.57593 6.97913 2.42401 -180.70795 706.61404
4215.0000 -189.29202 -182.06181 7.23021 2.35459 -181.95351 684.44559
4220.0000 -188.78432 -182.02189 6.76242 2.32544 -182.47643 684.78376
4225.0000 -187.06235 -180.37813 6.68421 2.40688 -181.01520 722.31032
4230.0000 -186.88487 -179.31024 7.57463 2.48295 -179.65033 727.55288
4235.0000 -186.19987 -179.46698 6.73289 2.49147 -179.49755 738.93100
4240.0000 -185.55439 -177.84870 7.70570 2.58209 -177.87158 791.01802
4245.0000 -186.70190 -178.92041 7.78149 2.56755 -178.13257 774.01375
4250.0000 -186.09182 -178.62568 7.46614 2.53579 -178.70235 783.69286
MELTING PROCESS: loop number 18 T-loop= 772.00000000000000
main_MD> interactions number 18 at Temperature= 772.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09910 -1.24374 1.49903
force_rgl> df(natom) -0.36974 0.05772 0.40274
4255.0000 -186.11380 -176.80067 9.31313 2.57645 -177.97284 798.62594
4260.0000 -186.29045 -178.03315 8.25730 2.55717 -178.31870 811.77290
4265.0000 -186.72450 -179.12074 7.60376 2.56912 -178.10437 804.36050
4270.0000 -187.63464 -179.66217 7.97247 2.49321 -179.46628 762.18475
4275.0000 -185.47735 -178.62484 6.85251 2.47581 -179.77860 725.71102
4280.0000 -185.85680 -178.05391 7.80289 2.53629 -178.69330 783.36758
4285.0000 -186.02343 -178.68187 7.34156 2.54918 -178.46213 819.71083
4290.0000 -185.68254 -177.00451 8.67803 2.55078 -178.43331 808.20516
4295.0000 -186.06002 -176.70678 9.35323 2.59835 -177.57985 845.05752
4300.0000 -185.43036 -176.23006 9.20030 2.66352 -176.41052 852.90109
4305.0000 -184.82002 -176.55797 8.26205 2.61206 -177.33396 826.40573
4310.0000 -185.56075 -177.29924 8.26151 2.65825 -176.50506 845.94013
4315.0000 -186.99739 -179.90076 7.09663 2.54560 -178.52628 794.98565
4320.0000 -187.28750 -179.93891 7.34858 2.47306 -179.82793 751.89176
4325.0000 -186.44536 -179.48883 6.95653 2.48903 -179.54140 752.87751
4330.0000 -185.83710 -177.67556 8.16154 2.50415 -179.26995 734.37575
4335.0000 -186.36252 -178.98256 7.37995 2.57677 -177.96704 817.98840
4340.0000 -186.80815 -179.62957 7.17858 2.48919 -179.53836 744.26177
4345.0000 -187.16503 -179.73304 7.43199 2.49103 -179.50536 772.63965
4350.0000 -188.97685 -180.91348 8.06337 2.43368 -180.53437 709.30419
4355.0000 -186.62305 -179.18051 7.44254 2.43984 -180.42394 715.49423
4360.0000 -186.30282 -178.38457 7.91825 2.54409 -178.55340 804.93134
4365.0000 -186.28507 -178.56380 7.72128 2.50863 -179.18968 763.08797
4370.0000 -186.48522 -178.71355 7.77167 2.53166 -178.77640 800.20353
4375.0000 -185.57272 -178.80157 6.77115 2.52812 -178.83999 744.37014
4380.0000 -186.64731 -179.33806 7.30925 2.50480 -179.25842 750.91498
4385.0000 -187.26461 -179.93733 7.32728 2.45151 -180.21451 720.39535
4390.0000 -187.36628 -179.98461 7.38167 2.47134 -179.85866 747.04893
4395.0000 -187.53781 -179.61126 7.92654 2.45049 -180.23282 742.43447
4400.0000 -187.04365 -179.38265 7.66101 2.44482 -180.33457 731.73752
4405.0000 -186.52342 -178.45753 8.06589 2.54698 -178.50149 791.31286
4410.0000 -187.03799 -178.12333 8.91466 2.52407 -178.91259 775.73529
4415.0000 -187.83300 -179.38566 8.44734 2.57266 -178.04074 811.06219
4420.0000 -186.85191 -180.16506 6.68685 2.47214 -179.84442 764.11445
4425.0000 -186.87434 -179.23866 7.63568 2.49127 -179.50111 731.09695
4430.0000 -187.22441 -178.62271 8.60171 2.48188 -179.66968 724.07806
4435.0000 -186.48022 -179.91603 6.56419 2.49571 -179.42139 749.74761
4440.0000 -186.82862 -178.90625 7.92237 2.49009 -179.52229 749.95219
4445.0000 -184.64168 -178.19738 6.44430 2.53819 -178.65935 771.07471
4450.0000 -185.43355 -178.91127 6.52229 2.57217 -178.04958 790.30115
4455.0000 -184.53533 -176.46660 8.06873 2.60295 -177.49742 803.88770
4460.0000 -186.49947 -178.39487 8.10460 2.59586 -177.62461 824.73452
4465.0000 -187.08737 -178.51508 8.57230 2.56028 -178.26295 805.39361
4470.0000 -186.92825 -177.62298 9.30527 2.57042 -178.08108 808.28853
4475.0000 -187.59061 -180.61992 6.97068 2.51065 -179.15342 768.84266
4480.0000 -187.08341 -178.45612 8.62728 2.46780 -179.92222 765.74810
4485.0000 -188.46935 -180.76218 7.70717 2.47998 -179.70366 779.67221
4490.0000 -187.05103 -179.26419 7.78684 2.46083 -180.04738 737.30971
4495.0000 -184.25712 -176.80446 7.45265 2.57491 -178.00045 829.63737
4500.0000 -185.06487 -176.16529 8.89958 2.60347 -177.48799 836.91901
MELTING PROCESS: loop number 19 T-loop= 797.00000000000000
main_MD> interactions number 19 at Temperature= 797.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.83255 1.81781 3.24409
force_rgl> df(natom) 0.57285 -0.60667 -0.11580
4505.0000 -185.72307 -177.45826 8.26482 2.64017 -176.82954 860.20077
4510.0000 -183.87965 -177.75554 6.12411 2.62303 -177.13703 837.93538
4515.0000 -186.85459 -178.67136 8.18323 2.57643 -177.97326 822.49795
4520.0000 -187.24741 -178.15038 9.09702 2.56360 -178.20343 795.50471
4525.0000 -185.54821 -177.73662 7.81159 2.57547 -177.99039 835.47559
4530.0000 -186.57625 -177.83558 8.74067 2.58135 -177.88497 817.95887
4535.0000 -185.67414 -176.88167 8.79247 2.64233 -176.79081 875.89851
4540.0000 -184.76502 -177.40540 7.35962 2.66774 -176.33491 890.57505
4545.0000 -186.32124 -179.21004 7.11120 2.56631 -178.15472 801.45358
4550.0000 -185.85779 -178.25276 7.60503 2.56453 -178.18664 822.55927
4555.0000 -187.12466 -179.21448 7.91018 2.53190 -178.77222 782.70216
4560.0000 -185.99133 -179.90797 6.08336 2.47220 -179.84325 738.15328
4565.0000 -187.52885 -179.10885 8.42000 2.47829 -179.73401 748.99107
4570.0000 -185.83209 -177.99854 7.83355 2.50214 -179.30611 776.23229
4575.0000 -186.49153 -179.28223 7.20929 2.51809 -179.01988 793.30625
4580.0000 -187.04019 -179.37188 7.66830 2.50092 -179.32805 779.33327
4585.0000 -186.94498 -179.09435 7.85064 2.50930 -179.17759 766.11479
4590.0000 -186.89924 -179.92114 6.97810 2.46987 -179.88506 748.70262
4595.0000 -187.39724 -179.42241 7.97483 2.47342 -179.82148 756.66963
4600.0000 -186.52911 -179.77007 6.75904 2.51926 -178.99887 783.10555
4605.0000 -187.11560 -180.41335 6.70225 2.42547 -180.68171 727.17754
4610.0000 -187.42121 -179.47788 7.94333 2.50447 -179.26423 751.20566
4615.0000 -186.87877 -179.50543 7.37334 2.52256 -178.93976 772.92972
4620.0000 -187.06877 -179.03069 8.03808 2.49049 -179.51507 771.84273
4625.0000 -187.98574 -179.40044 8.58530 2.51446 -179.08514 800.53848
4630.0000 -187.74467 -179.67359 8.07108 2.45493 -180.15308 730.06425
4635.0000 -185.83073 -178.22105 7.60967 2.51603 -179.05689 807.79093
4640.0000 -186.45599 -178.50669 7.94930 2.54582 -178.52240 801.59747
4645.0000 -186.67658 -177.15650 9.52007 2.57165 -178.05890 813.59118
4650.0000 -186.04539 -179.08781 6.95758 2.55442 -178.36805 796.76221
4655.0000 -186.82123 -179.26245 7.55878 2.51337 -179.10464 776.74419
4660.0000 -188.67138 -181.95318 6.71820 2.45364 -180.17630 739.82896
4665.0000 -187.50234 -180.26493 7.23741 2.36132 -181.83271 690.54390
4670.0000 -186.09941 -179.38309 6.71632 2.46381 -179.99385 734.84279
4675.0000 -185.20819 -178.09112 7.11707 2.52511 -178.89398 772.26480
4680.0000 -186.47139 -178.33287 8.13852 2.59042 -177.72209 825.73632
4685.0000 -186.12724 -178.93567 7.19157 2.54845 -178.47527 798.81759
4690.0000 -186.72073 -179.70980 7.01094 2.53910 -178.64288 810.02599
4695.0000 -187.08380 -179.81734 7.26646 2.45144 -180.21585 764.83125
4700.0000 -186.46511 -178.75180 7.71331 2.48132 -179.67971 772.75851
4705.0000 -185.93811 -178.94449 6.99362 2.55682 -178.32502 785.14895
4710.0000 -186.68414 -178.49982 8.18432 2.55488 -178.35983 777.68519
4715.0000 -185.26117 -178.26746 6.99370 2.56678 -178.14630 772.89972
4720.0000 -186.07419 -179.22376 6.85043 2.52493 -178.89715 766.79379
4725.0000 -186.68413 -178.72531 7.95882 2.51289 -179.11319 771.39868
4730.0000 -185.62841 -178.39593 7.23248 2.56494 -178.17926 781.32834
4735.0000 -185.72490 -178.81088 6.91402 2.55711 -178.31974 783.18272
4740.0000 -186.61879 -178.22859 8.39021 2.57814 -177.94247 823.73819
4745.0000 -186.78437 -179.21268 7.57168 2.53570 -178.70394 750.72842
4750.0000 -186.91660 -178.47681 8.43979 2.51792 -179.02289 757.47198
MELTING PROCESS: loop number 20 T-loop= 822.00000000000000
main_MD> interactions number 20 at Temperature= 822.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19018 0.39967 1.69415
force_rgl> df(natom) 1.21246 -0.21051 -0.21850
4755.0000 -186.23518 -178.05936 8.17582 2.59548 -177.63138 838.26478
4760.0000 -186.45510 -178.37348 8.08162 2.55516 -178.35483 798.54552
4765.0000 -185.99276 -178.46294 7.52981 2.58260 -177.86243 819.41179
4770.0000 -186.55805 -178.71598 7.84207 2.54227 -178.58616 805.57413
4775.0000 -186.51490 -177.76897 8.74593 2.52970 -178.81154 792.44396
4780.0000 -185.72791 -177.90637 7.82154 2.55933 -178.27997 803.28981
4785.0000 -186.02398 -178.64340 7.38058 2.59777 -177.59028 821.83152
4790.0000 -184.83114 -178.05758 6.77356 2.53156 -178.77825 773.38146
4795.0000 -186.08468 -177.61746 8.46723 2.57388 -178.01890 819.57658
4800.0000 -185.16265 -177.86202 7.30063 2.58069 -177.89677 797.82571
4805.0000 -185.27222 -177.24345 8.02878 2.62679 -177.06954 861.00761
4810.0000 -184.60236 -177.03869 7.56367 2.65754 -176.51791 851.28239
4815.0000 -185.96527 -178.13859 7.82668 2.58916 -177.74468 837.72663
4820.0000 -185.46739 -176.40615 9.06124 2.60859 -177.39610 815.68073
4825.0000 -184.77110 -175.75500 9.01609 2.71978 -175.40110 863.22902
4830.0000 -186.47640 -177.68337 8.79303 2.67207 -176.25716 872.12959
4835.0000 -187.06713 -179.30382 7.76331 2.53935 -178.63844 804.58520
4840.0000 -187.11729 -180.02771 7.08958 2.47660 -179.76428 745.87448
4845.0000 -186.48853 -178.06848 8.42005 2.52161 -178.95678 751.77816
4850.0000 -186.10712 -178.02538 8.08173 2.60128 -177.52730 848.79855
4855.0000 -186.10692 -178.26140 7.84552 2.59370 -177.66323 839.84636
4860.0000 -185.85652 -177.21669 8.63982 2.56784 -178.12729 814.59624
4865.0000 -184.31237 -175.99365 8.31871 2.62345 -177.12946 844.76082
4870.0000 -185.83485 -176.35198 9.48287 2.70316 -175.69939 904.37636
4875.0000 -187.78314 -178.94279 8.84034 2.55321 -178.38978 784.81227
4880.0000 -186.53143 -177.41267 9.11875 2.54627 -178.51430 769.70001
4885.0000 -184.92341 -176.25778 8.66563 2.66448 -176.39334 871.02792
4890.0000 -185.27186 -176.32788 8.94398 2.63875 -176.85507 836.05996
4895.0000 -184.88476 -176.07599 8.80877 2.65204 -176.61650 862.40836
4900.0000 -184.58567 -177.78738 6.79829 2.61349 -177.30820 832.56772
4905.0000 -186.64255 -179.54178 7.10077 2.53356 -178.74233 771.75839
4910.0000 -185.67267 -177.98781 7.68486 2.54800 -178.48322 791.69228
4915.0000 -186.27062 -178.49438 7.77624 2.60415 -177.47575 805.62891
4920.0000 -183.65514 -175.75526 7.89988 2.61593 -177.26447 812.24908
4925.0000 -184.06112 -176.09211 7.96901 2.73337 -175.15734 857.79616
4930.0000 -185.19139 -176.44232 8.74908 2.67182 -176.26173 841.49323
4935.0000 -184.70094 -177.74830 6.95263 2.64861 -176.67809 847.37810
4940.0000 -185.22106 -176.56835 8.65272 2.55359 -178.38294 800.81815
4945.0000 -186.44934 -179.15740 7.29194 2.57876 -177.93130 790.32700
4950.0000 -186.05260 -178.10973 7.94287 2.49095 -179.50695 746.45655
4955.0000 -186.06187 -178.68340 7.37847 2.62295 -177.13847 835.10973
4960.0000 -186.33735 -178.94089 7.39646 2.51927 -178.99874 747.39498
4965.0000 -186.17170 -179.15115 7.02055 2.51490 -179.07724 760.58393
4970.0000 -186.65485 -179.94877 6.70607 2.48920 -179.53827 754.47113
4975.0000 -186.28462 -179.62173 6.66289 2.47042 -179.87521 735.43717
4980.0000 -185.47555 -176.82429 8.65127 2.60045 -177.54227 828.02938
4985.0000 -185.76749 -176.81556 8.95193 2.68536 -176.01871 884.72235
4990.0000 -186.64688 -177.83007 8.81681 2.64349 -176.76995 853.18677
4995.0000 -185.24829 -177.79427 7.45401 2.58748 -177.77493 802.36025
5000.0000 -183.79091 -176.20519 7.58572 2.61679 -177.24911 823.86461
MELTING PROCESS: loop number 21 T-loop= 847.00000000000000
main_MD> interactions number 21 at Temperature= 847.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.52090 1.45360 1.22428
force_rgl> df(natom) -4.34728 -1.82933 -4.46607
5005.0000 -185.56974 -178.45477 7.11497 2.58967 -177.73563 824.79116
5010.0000 -185.53777 -177.62200 7.91577 2.58758 -177.77314 831.46225
5015.0000 -183.86740 -176.78835 7.07904 2.58197 -177.87383 806.01686
5020.0000 -184.06242 -176.95186 7.11057 2.65787 -176.51193 823.85766
5025.0000 -186.08750 -178.37026 7.71724 2.60968 -177.37656 836.31601
5030.0000 -185.15443 -176.34885 8.80558 2.60564 -177.44901 844.52759
5035.0000 -185.16835 -175.88338 9.28497 2.64640 -176.71767 853.53915
5040.0000 -183.73949 -174.87821 8.86128 2.71376 -175.50914 877.21258
5045.0000 -184.93007 -177.58023 7.34984 2.65223 -176.61312 870.85396
5050.0000 -186.04021 -178.35204 7.68817 2.62426 -177.11500 831.38175
5055.0000 -184.24986 -176.44013 7.80973 2.59170 -177.69921 822.89872
5060.0000 -185.04444 -177.05987 7.98458 2.66565 -176.37237 863.66071
5065.0000 -185.24893 -176.70455 8.54438 2.63511 -176.92037 854.71522
5070.0000 -185.97559 -178.21976 7.75583 2.55467 -178.36352 800.45952
5075.0000 -187.20847 -179.65616 7.55232 2.55794 -178.30487 782.16204
5080.0000 -186.99320 -178.72397 8.26923 2.51144 -179.13918 770.33262
5085.0000 -185.56341 -177.14252 8.42089 2.59416 -177.65506 837.54341
5090.0000 -185.93211 -176.82348 9.10863 2.62591 -177.08541 846.04464
5095.0000 -184.83029 -176.20032 8.62997 2.67461 -176.21169 861.05751
5100.0000 -184.66778 -177.41430 7.25348 2.68995 -175.93629 873.34848
5105.0000 -185.23489 -177.23583 7.99906 2.62131 -177.16795 840.19481
5110.0000 -185.66328 -177.69365 7.96963 2.61076 -177.35716 837.97046
5115.0000 -187.22237 -179.47820 7.74417 2.54885 -178.46795 791.64542
5120.0000 -185.47325 -178.18295 7.29030 2.53836 -178.65631 792.54778
5125.0000 -185.67264 -177.30552 8.36711 2.60571 -177.44787 842.80985
5130.0000 -185.32150 -178.46575 6.85575 2.58928 -177.74261 814.39534
5135.0000 -185.76807 -178.09412 7.67395 2.60111 -177.53042 840.99224
5140.0000 -186.79919 -178.21625 8.58294 2.53532 -178.71076 776.86770
5145.0000 -187.29783 -179.31015 7.98768 2.53393 -178.73577 807.74645
5150.0000 -185.44687 -178.76588 6.68099 2.48636 -179.58916 753.39225
5155.0000 -185.84404 -177.79995 8.04410 2.59533 -177.63405 844.38251
5160.0000 -185.30105 -177.05833 8.24273 2.61888 -177.21150 851.55298
5165.0000 -184.93595 -177.56335 7.37260 2.65029 -176.64803 842.49538
5170.0000 -184.22331 -175.81239 8.41092 2.62034 -177.18533 814.90535
5175.0000 -182.88243 -174.84747 8.03496 2.70981 -175.57997 894.61596
5180.0000 -185.75552 -175.71383 10.04169 2.71533 -175.48107 922.00999
5185.0000 -185.87245 -176.87648 8.99597 2.71627 -175.46417 911.01029
5190.0000 -183.39308 -173.78745 9.60563 2.68652 -175.99789 852.74907
5195.0000 -185.33889 -176.75088 8.58801 2.72299 -175.34348 900.66930
5200.0000 -184.68991 -176.70823 7.98168 2.62848 -177.03923 836.93072
5205.0000 -185.05518 -176.73480 8.32038 2.62590 -177.08552 855.01378
5210.0000 -185.82819 -176.96563 8.86256 2.59657 -177.61175 824.26380
5215.0000 -185.04574 -177.20639 7.83935 2.63240 -176.96897 832.47480
5220.0000 -185.44743 -176.81696 8.63047 2.62968 -177.01772 819.57046
5225.0000 -185.84350 -177.55208 8.29142 2.60901 -177.38867 846.57716
5230.0000 -183.72620 -175.22266 8.50354 2.70031 -175.75045 912.01475
5235.0000 -185.42381 -176.06968 9.35413 2.71219 -175.53737 900.79396
5240.0000 -185.94018 -178.53055 7.40962 2.63870 -176.85587 835.26197
5245.0000 -184.85037 -177.70441 7.14596 2.64500 -176.74279 866.32660
5250.0000 -186.60149 -178.60947 7.99202 2.64031 -176.82702 851.70001
MELTING PROCESS: loop number 22 T-loop= 872.00000000000000
main_MD> interactions number 22 at Temperature= 872.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.02098 1.97493 0.01115
force_rgl> df(natom) -0.34960 -0.19233 -2.34064
5255.0000 -186.98715 -179.16611 7.82104 2.57170 -178.05803 793.39104
5260.0000 -186.56542 -178.59535 7.97006 2.57257 -178.04250 824.66519
5265.0000 -184.36653 -177.01157 7.35496 2.57565 -177.98709 799.95816
5270.0000 -185.12543 -176.14222 8.98320 2.64954 -176.66136 871.07932
5275.0000 -184.64433 -175.30642 9.33790 2.72967 -175.22368 881.18601
5280.0000 -184.71705 -175.61388 9.10317 2.71560 -175.47623 896.19144
5285.0000 -184.73589 -174.75604 9.97985 2.69839 -175.78495 892.09580
5290.0000 -182.98557 -174.53113 8.45443 2.73211 -175.17999 900.63371
5295.0000 -184.26795 -174.38389 9.88406 2.77145 -174.47406 934.50437
5300.0000 -184.20789 -175.41985 8.78804 2.75388 -174.78940 925.96844
5305.0000 -182.77909 -173.36660 9.41248 2.72150 -175.37022 904.26441
5310.0000 -182.87681 -174.89734 7.97947 2.73246 -175.17361 938.41000
5315.0000 -182.62135 -175.57256 7.04879 2.69641 -175.82054 855.38729
5320.0000 -184.71596 -176.93513 7.78084 2.67924 -176.12849 873.92319
5325.0000 -185.46178 -177.05020 8.41158 2.64574 -176.72955 851.74100
5330.0000 -184.39284 -176.99939 7.39345 2.64802 -176.68863 840.12273
5335.0000 -185.40909 -175.37475 10.03434 2.66089 -176.45779 866.07323
5340.0000 -183.21189 -175.29050 7.92139 2.70409 -175.68260 902.35660
5345.0000 -184.27555 -175.40168 8.87387 2.68763 -175.97802 881.77995
5350.0000 -183.95645 -175.31609 8.64037 2.73484 -175.13098 915.09541
5355.0000 -186.77314 -177.17686 9.59628 2.69478 -175.84975 890.10662
5360.0000 -184.67668 -176.19893 8.47775 2.65947 -176.48329 876.08446
5365.0000 -184.85099 -177.19896 7.65203 2.62161 -177.16246 857.71666
5370.0000 -184.96423 -175.72714 9.23709 2.69722 -175.80601 909.27395
5375.0000 -183.59351 -174.80414 8.78936 2.70839 -175.60561 875.42024
5380.0000 -184.32990 -174.44913 9.88077 2.77680 -174.37808 929.19567
5385.0000 -184.54374 -175.88344 8.66029 2.71594 -175.47012 889.47698
5390.0000 -184.54974 -175.33963 9.21011 2.72424 -175.32115 906.61977
5395.0000 -184.55204 -176.11878 8.43326 2.68502 -176.02488 861.17849
5400.0000 -183.87988 -175.00317 8.87670 2.72627 -175.28476 918.23685
5405.0000 -183.87701 -174.03802 9.83899 2.71040 -175.56948 912.79310
5410.0000 -184.76703 -175.28742 9.47961 2.74482 -174.95196 950.88878
5415.0000 -182.98187 -174.03424 8.94763 2.72997 -175.21836 902.26401
5420.0000 -184.68514 -176.11534 8.56980 2.70623 -175.64432 899.13447
5425.0000 -185.22587 -177.04587 8.18001 2.65417 -176.57836 877.82991
5430.0000 -185.86447 -177.07353 8.79094 2.63612 -176.90217 864.71511
5435.0000 -184.33868 -176.50258 7.83610 2.62130 -177.16819 830.64280
5440.0000 -184.23207 -175.45902 8.77306 2.68512 -176.02313 898.18317
5445.0000 -183.95942 -174.10241 9.85700 2.73996 -175.03914 925.05405
5450.0000 -181.96683 -173.21684 8.74999 2.82948 -173.43294 984.84602
5455.0000 -182.89644 -173.20558 9.69087 2.80400 -173.89000 928.72737
5460.0000 -184.48715 -175.05957 9.42758 2.74073 -175.02531 917.41326
5465.0000 -184.20799 -175.66432 8.54367 2.73924 -175.05207 940.52604
5470.0000 -183.94404 -175.08386 8.86019 2.70910 -175.59279 891.80715
5475.0000 -185.05707 -177.33414 7.72294 2.70370 -175.68961 895.10729
5480.0000 -186.57757 -177.86094 8.71663 2.60282 -177.49960 816.73299
5485.0000 -186.34104 -177.19314 9.14790 2.59196 -177.69458 863.83580
5490.0000 -184.78122 -176.49617 8.28505 2.61606 -177.26205 849.74106
5495.0000 -185.40048 -176.63170 8.76877 2.71415 -175.50226 893.80410
5500.0000 -184.85231 -177.39173 7.46058 2.56702 -178.14208 795.47506
MELTING PROCESS: loop number 23 T-loop= 897.00000000000000
main_MD> interactions number 23 at Temperature= 897.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86521 3.14891 0.16337
force_rgl> df(natom) -2.19304 2.46805 0.31984
5505.0000 -185.61941 -177.28842 8.33099 2.64316 -176.77586 857.18268
5510.0000 -184.19283 -176.53349 7.65934 2.62856 -177.03792 813.48373
5515.0000 -185.76707 -177.99053 7.77654 2.67296 -176.24120 883.67969
5520.0000 -185.26264 -176.03904 9.22360 2.62575 -177.08819 832.29063
5525.0000 -183.31114 -173.28657 10.02456 2.78067 -174.30864 959.06683
5530.0000 -185.44065 -176.36196 9.07869 2.69647 -175.81938 901.34622
5535.0000 -184.36099 -173.79633 10.56466 2.73573 -175.11499 920.11913
5540.0000 -184.80839 -177.14022 7.66816 2.72792 -175.25503 902.37099
5545.0000 -185.06922 -176.36157 8.70765 2.64487 -176.74515 861.83136
5550.0000 -184.57758 -175.19218 9.38540 2.70590 -175.65027 891.14487
5555.0000 -183.77508 -175.74078 8.03430 2.73501 -175.12785 930.44695
5560.0000 -184.36514 -174.52947 9.83567 2.76029 -174.67427 911.75893
5565.0000 -184.86647 -175.45917 9.40731 2.75163 -174.82976 892.21949
5570.0000 -184.88503 -174.29927 10.58576 2.75087 -174.84332 929.70371
5575.0000 -185.53685 -176.76282 8.77403 2.69672 -175.81482 877.87471
5580.0000 -184.13503 -175.24024 8.89479 2.71042 -175.56907 899.33019
5585.0000 -185.43336 -176.20286 9.23049 2.71968 -175.40291 907.90896
5590.0000 -183.42611 -173.84076 9.58535 2.77951 -174.32947 951.54423
5595.0000 -183.33256 -174.08213 9.25043 2.82694 -173.47844 982.48667
5600.0000 -184.48077 -176.61192 7.86885 2.76003 -174.67906 931.56437
5605.0000 -186.76274 -177.38644 9.37631 2.67544 -176.19671 890.50853
5610.0000 -185.40096 -178.25202 7.14894 2.53713 -178.67825 798.87687
5615.0000 -185.92932 -176.45706 9.47225 2.64372 -176.76592 877.71415
5620.0000 -182.25004 -172.08478 10.16526 2.75963 -174.68609 937.49239
5625.0000 -181.41708 -173.16983 8.24725 2.89241 -172.30375 1009.90287
5630.0000 -184.87202 -175.25536 9.61666 2.79231 -174.09982 949.99379
5635.0000 -183.99779 -175.58626 8.41153 2.69321 -175.87784 884.10816
5640.0000 -185.68625 -177.30184 8.38441 2.70671 -175.63572 879.85606
5645.0000 -185.81811 -176.94796 8.87015 2.58959 -177.73699 807.62480
5650.0000 -184.77079 -176.50529 8.26550 2.67991 -176.11657 866.77348
5655.0000 -185.00012 -175.30732 9.69280 2.72633 -175.28361 890.64853
5660.0000 -185.74986 -178.14638 7.60348 2.65555 -176.55361 852.25494
5665.0000 -185.22072 -177.88219 7.33853 2.55307 -178.39223 794.41374
5670.0000 -184.54712 -176.47758 8.06955 2.63462 -176.92905 846.87195
5675.0000 -185.23282 -177.34489 7.88793 2.64582 -176.72816 859.40433
5680.0000 -184.55273 -176.74011 7.81262 2.64372 -176.76577 863.85502
5685.0000 -184.92069 -177.08205 7.83864 2.66314 -176.41735 887.76189
5690.0000 -186.17194 -176.51399 9.65794 2.69824 -175.78759 897.06355
5695.0000 -185.33463 -175.18455 10.15008 2.68055 -176.10503 882.58411
5700.0000 -183.82829 -176.51751 7.31078 2.69157 -175.90723 887.96672
5705.0000 -182.25841 -173.17394 9.08446 2.73000 -175.21772 932.19519
5710.0000 -183.98946 -175.69144 8.29802 2.77653 -174.38298 933.05190
5715.0000 -184.88983 -177.19203 7.69780 2.68891 -175.95497 866.69141
5720.0000 -184.86963 -176.41478 8.45485 2.64631 -176.71941 870.81119
5725.0000 -185.71494 -175.99807 9.71687 2.69003 -175.93487 869.28914
5730.0000 -184.16575 -174.64078 9.52497 2.69771 -175.79707 881.96279
5735.0000 -183.39507 -174.59036 8.80471 2.78378 -174.25290 963.20416
5740.0000 -184.12591 -175.58172 8.54419 2.76969 -174.50567 920.66816
5745.0000 -184.97766 -175.55243 9.42523 2.71733 -175.44507 911.17944
5750.0000 -183.70760 -175.12950 8.57810 2.72417 -175.32244 905.53133
MELTING PROCESS: loop number 24 T-loop= 922.00000000000000
main_MD> interactions number 24 at Temperature= 922.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.08205 -2.09314 -0.73554
force_rgl> df(natom) 0.25951 -2.65156 0.33689
5755.0000 -183.61101 -173.44458 10.16642 2.79463 -174.05818 926.00345
5760.0000 -185.28211 -176.23873 9.04338 2.78704 -174.19436 916.47017
5765.0000 -184.23052 -176.00372 8.22680 2.67777 -176.15484 883.78268
5770.0000 -184.42519 -176.49616 7.92903 2.66327 -176.41503 891.17163
5775.0000 -182.21142 -173.79278 8.41864 2.69079 -175.92130 895.42316
5780.0000 -182.61927 -174.56943 8.04983 2.78190 -174.28651 925.18863
5785.0000 -183.37600 -174.06104 9.31496 2.75194 -174.82419 890.70660
5790.0000 -183.20435 -173.27635 9.92801 2.78768 -174.18287 936.78489
5795.0000 -183.89824 -175.36719 8.53105 2.76030 -174.67418 919.66228
5800.0000 -183.36286 -174.33098 9.03188 2.77321 -174.44260 935.83681
5805.0000 -182.52309 -173.33705 9.18604 2.76437 -174.60120 924.06086
5810.0000 -182.06527 -171.66780 10.39747 2.87116 -172.68503 994.41392
5815.0000 -185.15296 -175.30741 9.84555 2.80898 -173.80075 974.44757
5820.0000 -184.14611 -173.21437 10.93173 2.78306 -174.26571 946.70349
5825.0000 -184.68637 -174.60395 10.08242 2.77510 -174.40868 950.69440
5830.0000 -184.76919 -176.04586 8.72332 2.78814 -174.17468 931.81833
5835.0000 -183.77433 -175.95168 7.82265 2.69367 -175.86955 864.83252
5840.0000 -183.57757 -174.00706 9.57051 2.69977 -175.76022 896.21332
5845.0000 -182.36137 -173.67272 8.68866 2.77728 -174.36944 939.01510
5850.0000 -182.75998 -173.27325 9.48673 2.82426 -173.52662 961.78690
5855.0000 -183.20415 -173.60793 9.59622 2.82037 -173.59641 945.31570
5860.0000 -183.61493 -174.17818 9.43675 2.78484 -174.23393 923.27844
5865.0000 -184.86645 -176.80902 8.05743 2.67313 -176.23814 870.79683
5870.0000 -183.09619 -175.47217 7.62402 2.64645 -176.71680 865.19142
5875.0000 -183.38106 -175.48504 7.89602 2.70505 -175.66543 887.59034
5880.0000 -183.16219 -174.37646 8.78573 2.77977 -174.32487 957.12230
5885.0000 -185.26947 -175.06269 10.20679 2.75367 -174.79304 928.49363
5890.0000 -183.69083 -175.34635 8.34448 2.67591 -176.18826 865.23660
5895.0000 -180.83198 -172.91283 7.91915 2.78453 -174.23942 903.83657
5900.0000 -182.47884 -173.98974 8.48910 2.83120 -173.40204 945.54194
5905.0000 -183.04626 -173.95603 9.09023 2.82910 -173.43969 975.43210
5910.0000 -183.49512 -172.88845 10.60667 2.76695 -174.55478 911.62149
5915.0000 -183.02441 -174.60609 8.41832 2.76971 -174.50536 935.91888
5920.0000 -186.19316 -176.93353 9.25963 2.69098 -175.91793 875.16878
5925.0000 -184.15342 -174.75431 9.39911 2.68171 -176.08413 889.75111
5930.0000 -184.12679 -174.50436 9.62243 2.76506 -174.58871 934.33110
5935.0000 -183.34546 -173.76624 9.57922 2.77183 -174.46723 909.22573
5940.0000 -183.48191 -173.08091 10.40100 2.82272 -173.55410 943.30261
5945.0000 -182.06345 -172.68100 9.38245 2.84655 -173.12655 976.14615
5950.0000 -183.19172 -172.75975 10.43197 2.86092 -172.86876 997.08619
5955.0000 -184.24359 -175.92378 8.31981 2.77928 -174.33353 928.00550
5960.0000 -183.94152 -174.53614 9.40538 2.68101 -176.09684 884.25269
5965.0000 -184.00602 -174.74318 9.26284 2.76060 -174.66883 928.90955
5970.0000 -184.62392 -175.86760 8.75631 2.71732 -175.44524 887.33501
5975.0000 -184.49541 -175.62801 8.86740 2.69845 -175.78383 907.69280
5980.0000 -181.50197 -172.78923 8.71273 2.76879 -174.52186 934.69238
5985.0000 -184.33326 -175.10291 9.23035 2.81045 -173.77441 969.23295
5990.0000 -184.72435 -177.51832 7.20603 2.67471 -176.20983 856.24195
5995.0000 -184.78049 -176.69846 8.08202 2.60049 -177.54151 825.03074
6000.0000 -184.50384 -174.75421 9.74964 2.70612 -175.64626 932.67085
MELTING PROCESS: loop number 25 T-loop= 947.00000000000000
main_MD> interactions number 25 at Temperature= 947.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.14916 -0.61045 1.29491
force_rgl> df(natom) -4.80070 -8.98037 -0.52644
6005.0000 -183.59982 -175.28114 8.31869 2.73766 -175.08027 936.84004
6010.0000 -183.04183 -175.33430 7.70753 2.73161 -175.18893 930.45968
6015.0000 -184.59372 -175.05065 9.54307 2.75008 -174.85759 926.64787
6020.0000 -184.86940 -176.04522 8.82418 2.74425 -174.96205 964.95342
6025.0000 -184.62228 -175.83152 8.79077 2.66913 -176.30991 864.79447
6030.0000 -184.80495 -176.68254 8.12241 2.68395 -176.04405 885.26399
6035.0000 -184.36736 -175.13951 9.22785 2.71337 -175.51608 919.95781
6040.0000 -182.43214 -174.15151 8.28062 2.78620 -174.20943 961.09116
6045.0000 -183.04937 -174.72730 8.32207 2.71038 -175.56977 908.34150
6050.0000 -185.16153 -175.76153 9.40000 2.72989 -175.21974 926.03564
6055.0000 -183.05888 -174.43485 8.62403 2.73962 -175.04515 929.00052
6060.0000 -183.47419 -174.80786 8.66634 2.79746 -174.00738 956.10596
6065.0000 -183.92140 -174.79674 9.12466 2.73232 -175.17611 933.29997
6070.0000 -185.85952 -175.21169 10.64783 2.73981 -175.04178 914.77200
6075.0000 -186.59325 -176.77369 9.81955 2.64999 -176.65333 863.19001
6080.0000 -184.98447 -176.75525 8.22922 2.67244 -176.25056 882.47756
6085.0000 -184.23271 -174.99248 9.24023 2.78094 -174.30373 960.18928
6090.0000 -183.75426 -175.42228 8.33199 2.72078 -175.38320 923.58434
6095.0000 -183.69402 -175.72961 7.96441 2.68468 -176.03087 876.55283
6100.0000 -185.95030 -177.02950 8.92080 2.71674 -175.45568 897.34174
6105.0000 -182.63830 -174.08671 8.55159 2.76038 -174.67263 921.70235
6110.0000 -185.23888 -175.64989 9.58899 2.76874 -174.52273 955.96020
6115.0000 -184.31519 -175.34341 8.97178 2.74154 -175.01079 893.36577
6120.0000 -183.74149 -174.31979 9.42169 2.76321 -174.62188 929.79477
6125.0000 -182.75185 -174.15387 8.59798 2.76344 -174.61789 952.52901
6130.0000 -184.21815 -173.97171 10.24644 2.83334 -173.36370 971.78522
6135.0000 -181.04141 -172.88919 8.15222 2.84693 -173.11980 990.77719
6140.0000 -183.06295 -172.27158 10.79137 2.85737 -172.93256 988.82469
6145.0000 -183.71613 -174.18930 9.52683 2.81451 -173.70153 954.74128
6150.0000 -182.49598 -175.17448 7.32150 2.79894 -173.98091 919.67500
6155.0000 -185.26555 -175.74408 9.52147 2.72917 -175.23267 892.76072
6160.0000 -184.90474 -176.84585 8.05889 2.68535 -176.01897 893.10817
6165.0000 -184.04453 -175.11885 8.92568 2.71190 -175.54249 896.84268
6170.0000 -184.76192 -176.76075 8.00116 2.65803 -176.50910 836.80843
6175.0000 -183.57923 -174.67884 8.90039 2.66977 -176.29837 856.50229
6180.0000 -183.45071 -173.34434 10.10637 2.76750 -174.54494 918.69150
6185.0000 -183.13967 -173.87741 9.26226 2.78510 -174.22922 938.21594
6190.0000 -183.76208 -175.13812 8.62396 2.76908 -174.51652 929.64130
6195.0000 -183.55026 -174.56310 8.98716 2.73156 -175.18975 915.61932
6200.0000 -184.43385 -175.69344 8.74041 2.75331 -174.79947 925.37024
6205.0000 -184.16416 -175.97043 8.19374 2.66255 -176.42791 879.85713
6210.0000 -183.67183 -175.67439 7.99744 2.72335 -175.33707 907.56945
6215.0000 -184.80569 -174.83241 9.97328 2.76732 -174.54816 932.21011
6220.0000 -186.16745 -177.34553 8.82192 2.63875 -176.85494 844.75900
6225.0000 -183.76917 -175.21295 8.55622 2.72023 -175.39316 913.65508
6230.0000 -183.32454 -174.82424 8.50030 2.74947 -174.86851 918.75273
6235.0000 -184.47148 -175.64601 8.82547 2.73199 -175.18215 904.03223
6240.0000 -183.77096 -175.21693 8.55402 2.72564 -175.29595 895.64688
6245.0000 -183.40419 -173.20395 10.20023 2.80271 -173.91320 955.66249
6250.0000 -182.57116 -174.65354 7.91763 2.72063 -175.38591 921.91692
MELTING PROCESS: loop number 26 T-loop= 972.00000000000000
main_MD> interactions number 26 at Temperature= 972.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.03664 -2.00912 2.33501
force_rgl> df(natom) 1.35939 0.24904 -1.01264
6255.0000 -185.48698 -178.10891 7.37808 2.71765 -175.43936 899.57965
6260.0000 -183.80486 -176.16746 7.63740 2.63379 -176.94404 863.31205
6265.0000 -184.39950 -173.47630 10.92320 2.70688 -175.63265 911.61138
6270.0000 -183.35594 -173.99021 9.36573 2.85303 -173.01034 1007.65216
6275.0000 -183.40580 -174.02689 9.37892 2.79672 -174.02060 933.66133
6280.0000 -183.23180 -174.32524 8.90655 2.78417 -174.24591 940.84691
6285.0000 -184.62873 -174.71206 9.91667 2.75799 -174.71551 970.91041
6290.0000 -185.00926 -177.63097 7.37829 2.64787 -176.69135 875.39420
6295.0000 -183.48672 -173.61922 9.86751 2.67393 -176.22375 871.34326
6300.0000 -183.83972 -173.83579 10.00393 2.81624 -173.67053 962.85966
6305.0000 -184.20604 -174.80627 9.39977 2.86257 -172.83910 999.95308
6310.0000 -184.85625 -176.29059 8.56565 2.68287 -176.06332 863.11617
6315.0000 -185.12678 -175.97047 9.15631 2.68288 -176.06319 873.96542
6320.0000 -181.54716 -172.02376 9.52340 2.79422 -174.06558 944.04084
6325.0000 -182.27963 -172.97271 9.30692 2.90609 -172.05833 1022.06597
6330.0000 -181.87959 -172.73993 9.13967 2.86819 -172.73830 973.46149
6335.0000 -184.33088 -175.44172 8.88916 2.81449 -173.70185 962.57308
6340.0000 -183.12467 -173.38915 9.73553 2.77231 -174.45863 926.99255
6345.0000 -183.18762 -174.49220 8.69543 2.75440 -174.77995 914.10833
6350.0000 -182.85891 -172.50787 10.35104 2.84440 -173.16518 1000.99960
6355.0000 -183.03039 -171.91022 11.12016 2.89775 -172.20790 1020.64472
6360.0000 -182.21818 -171.27736 10.94082 2.99713 -170.42483 1064.71191
6365.0000 -182.80986 -172.53459 10.27526 2.93387 -171.55991 1045.49053
6370.0000 -182.45951 -173.10988 9.34963 2.87576 -172.60262 985.14070
6375.0000 -182.59177 -174.54034 8.05143 2.80635 -173.84797 973.85539
6380.0000 -184.25833 -175.80696 8.45137 2.72444 -175.31754 912.40363
6385.0000 -183.22429 -174.10600 9.11829 2.76863 -174.52469 961.25635
6390.0000 -184.14159 -175.02401 9.11758 2.80142 -173.93627 935.19245
6395.0000 -184.46616 -174.56134 9.90482 2.73398 -175.14639 914.46777
6400.0000 -184.41876 -175.88257 8.53619 2.71725 -175.44664 884.23630
6405.0000 -183.47159 -175.34245 8.12914 2.68271 -176.06632 878.35248
6410.0000 -183.05384 -174.43881 8.61503 2.73763 -175.08082 925.86037
6415.0000 -181.21471 -171.27469 9.94002 2.86824 -172.73744 1008.77625
6420.0000 -180.16957 -169.15224 11.01733 2.99585 -170.44787 1071.69376
6425.0000 -182.00500 -171.22814 10.77686 3.04122 -169.63377 1139.76613
6430.0000 -182.03738 -171.68670 10.35069 2.91191 -171.95392 1025.46785
6435.0000 -182.54257 -173.82589 8.71668 2.87864 -172.55081 1022.33009
6440.0000 -182.04193 -171.91540 10.12653 2.85349 -173.00205 982.27670
6445.0000 -182.80881 -173.64648 9.16232 2.78529 -174.22583 961.89297
6450.0000 -183.02861 -173.36692 9.66169 2.77840 -174.34945 953.31720
6455.0000 -183.45846 -174.55358 8.90487 2.75849 -174.70654 946.69469
6460.0000 -184.93186 -175.90981 9.02205 2.76831 -174.53045 954.24154
6465.0000 -184.75932 -174.94497 9.81436 2.73965 -175.04466 887.00569
6470.0000 -184.71664 -175.73234 8.98430 2.72389 -175.32740 913.07665
6475.0000 -184.02477 -173.70805 10.31672 2.75281 -174.80845 932.44848
6480.0000 -182.03502 -172.65574 9.37927 2.83770 -173.28534 997.55295
6485.0000 -182.67058 -173.77633 8.89425 2.83713 -173.29566 996.16966
6490.0000 -182.85634 -173.85211 9.00423 2.85698 -172.93951 998.49832
6495.0000 -182.82954 -174.03696 8.79257 2.85308 -173.00947 955.92390
6500.0000 -183.75434 -174.34183 9.41251 2.80081 -173.94730 967.40300
MELTING PROCESS: loop number 27 T-loop= 997.00000000000000
main_MD> interactions number 27 at Temperature= 997.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.39018 -5.30167 -5.39509
force_rgl> df(natom) 0.20327 -2.68921 -2.83205
6505.0000 -181.56708 -170.70170 10.86539 2.83686 -173.30050 988.74297
6510.0000 -183.68756 -174.63071 9.05685 2.86160 -172.85657 1000.08646
6515.0000 -182.06948 -173.11137 8.95811 2.81294 -173.72963 984.62870
6520.0000 -181.74236 -172.70658 9.03577 2.81608 -173.67330 963.70819
6525.0000 -182.48927 -172.11064 10.37863 2.89257 -172.30099 984.17275
6530.0000 -182.04512 -173.35582 8.68929 2.83329 -173.36460 958.65067
6535.0000 -182.40779 -173.13208 9.27571 2.83686 -173.30056 986.12442
6540.0000 -182.39601 -173.92703 8.46898 2.84609 -173.13484 983.99337
6545.0000 -183.28340 -174.45079 8.83261 2.78407 -174.24759 928.48014
6550.0000 -183.02722 -174.30397 8.72324 2.78993 -174.14248 945.17412
6555.0000 -184.28885 -175.02619 9.26266 2.73985 -175.04100 926.27804
6560.0000 -182.54279 -172.52303 10.01976 2.81465 -173.69896 984.59716
6565.0000 -181.85379 -172.72409 9.12970 2.83319 -173.36628 973.00253
6570.0000 -184.20261 -175.79284 8.40976 2.78394 -174.25002 936.08661
6575.0000 -185.70909 -177.46140 8.24769 2.65390 -176.58323 847.73469
6580.0000 -185.85433 -176.16945 9.68488 2.67372 -176.22760 916.13192
6585.0000 -182.26093 -172.28218 9.97875 2.73421 -175.14229 915.97124
6590.0000 -181.78300 -172.30386 9.47914 2.94388 -171.38037 1032.88869
6595.0000 -182.77618 -173.19594 9.58024 2.87095 -172.68888 1001.24781
6600.0000 -182.01946 -172.14991 9.86955 2.89585 -172.24205 1029.09336
6605.0000 -181.82276 -171.24687 10.57589 2.92932 -171.64159 1044.89537
6610.0000 -183.10052 -171.28822 11.81230 2.90235 -172.12545 1035.64005
6615.0000 -182.01948 -172.97505 9.04443 2.90696 -172.04283 1029.54050
6620.0000 -183.89826 -173.40786 10.49040 2.82207 -173.56588 1000.69544
6625.0000 -180.76702 -172.22494 8.54207 2.88711 -172.39888 1022.46896
6630.0000 -184.41041 -175.05516 9.35525 2.84128 -173.22118 969.34668
6635.0000 -183.44929 -172.39098 11.05831 2.84024 -173.23989 1008.81195
6640.0000 -182.50267 -173.21141 9.29127 2.83031 -173.41800 976.90474
6645.0000 -180.74304 -169.51020 11.23284 2.99475 -170.46753 1104.19944
6650.0000 -180.35672 -169.49986 10.85686 3.01164 -170.16451 1089.47278
6655.0000 -181.51608 -170.89492 10.62117 3.02840 -169.86385 1101.24410
6660.0000 -182.05645 -171.37345 10.68299 2.92673 -171.68808 1043.15066
6665.0000 -185.04940 -176.33181 8.71759 2.77712 -174.37241 937.61779
6670.0000 -182.36235 -170.58123 11.78112 2.81653 -173.66532 974.61476
6675.0000 -183.56545 -173.50274 10.06271 2.89109 -172.32748 999.90709
6680.0000 -183.36534 -172.44867 10.91667 2.86752 -172.75046 1015.01468
6685.0000 -181.66890 -172.66926 8.99964 2.91018 -171.98504 1035.92607
6690.0000 -182.85557 -172.07645 10.77912 2.88056 -172.51641 1016.82995
6695.0000 -182.20415 -173.09666 9.10749 2.83610 -173.31408 998.51711
6700.0000 -181.99547 -171.73570 10.25976 2.84798 -173.10096 1007.41843
6705.0000 -181.86949 -171.06870 10.80080 2.95768 -171.13263 1037.84034
6710.0000 -180.53399 -170.21469 10.31930 2.95315 -171.21407 1066.57934
6715.0000 -181.69940 -171.01847 10.68093 2.90602 -172.05967 1031.08442
6720.0000 -180.98873 -169.99239 10.99634 2.95973 -171.09590 1062.89258
6725.0000 -183.82557 -173.74668 10.07888 2.89033 -172.34119 1027.77806
6730.0000 -182.28841 -172.73050 9.55791 2.82601 -173.49511 943.56536
6735.0000 -183.00136 -173.39725 9.60411 2.85210 -173.02704 976.13308
6740.0000 -181.31286 -172.29980 9.01306 2.84390 -173.17418 965.80366
6745.0000 -181.29534 -171.81344 9.48190 2.92234 -171.76683 993.87664
6750.0000 -181.51618 -172.03806 9.47812 2.94016 -171.44713 1026.02023
MELTING PROCESS: loop number 28 T-loop= 1022.0000000000000
main_MD> interactions number 28 at Temperature= 1022.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.32612 6.00422 -0.31667
force_rgl> df(natom) -1.20350 0.09624 1.86820
6755.0000 -182.12880 -172.34904 9.77975 2.94356 -171.38609 1043.38343
6760.0000 -182.68961 -173.31729 9.37232 2.88668 -172.40659 997.41512
6765.0000 -183.90446 -173.90358 10.00088 2.87013 -172.70350 1013.91137
6770.0000 -180.67455 -171.48099 9.19356 2.87275 -172.65648 973.55039
6775.0000 -184.40648 -173.00958 11.39689 2.86631 -172.77216 955.76350
6780.0000 -183.84524 -171.18280 12.66244 2.86265 -172.83768 990.33021
6785.0000 -183.45197 -172.16778 11.28419 2.91520 -171.89485 1040.09994
6790.0000 -182.04603 -171.26202 10.78400 2.85305 -173.01000 974.90955
6795.0000 -181.37042 -171.01148 10.35894 2.96088 -171.07530 1037.89868
6800.0000 -180.80949 -170.80432 10.00518 3.01357 -170.12996 1053.58086
6805.0000 -180.66268 -170.96727 9.69541 2.97361 -170.84697 1054.50210
6810.0000 -183.21611 -173.47203 9.74408 2.86908 -172.72237 1002.94106
6815.0000 -183.03817 -174.83684 8.20133 2.80695 -173.83714 954.52471
6820.0000 -182.23016 -172.50631 9.72386 2.86265 -172.83780 1000.67653
6825.0000 -182.28600 -172.55203 9.73397 2.86431 -172.80791 1009.28700
6830.0000 -181.99681 -172.19271 9.80410 2.86431 -172.80803 1004.04888
6835.0000 -181.25962 -171.36237 9.89725 2.91153 -171.96068 1037.39023
6840.0000 -181.96823 -173.04701 8.92122 2.88428 -172.44968 1023.34097
6845.0000 -183.26687 -174.12735 9.13952 2.79827 -173.99288 975.63193
6850.0000 -184.40411 -175.55552 8.84859 2.78508 -174.22962 955.62818
6855.0000 -182.56455 -173.99277 8.57177 2.75776 -174.71979 908.45887
6860.0000 -183.34422 -173.24536 10.09885 2.81500 -173.69277 959.41710
6865.0000 -183.33583 -173.35703 9.97880 2.85290 -173.01267 1020.09133
6870.0000 -183.95096 -174.14299 9.80798 2.82488 -173.51547 963.65508
6875.0000 -180.70877 -170.87961 9.82916 2.87696 -172.58105 985.88098
6880.0000 -180.98108 -170.32112 10.65996 3.01779 -170.05427 1079.40711
6885.0000 -182.37016 -172.11943 10.25073 2.95398 -171.19916 1033.16539
6890.0000 -181.01218 -171.00584 10.00634 2.88291 -172.47423 1018.62720
6895.0000 -180.83408 -170.80680 10.02728 2.99957 -170.38104 1076.72777
6900.0000 -183.00991 -173.94183 9.06808 2.90790 -172.02582 1033.27605
6905.0000 -182.13668 -170.87310 11.26357 2.87353 -172.64255 1029.60731
6910.0000 -182.03269 -171.71371 10.31898 2.91897 -171.82726 1050.73975
6915.0000 -181.48044 -171.12580 10.35464 3.00482 -170.28700 1132.77722
6920.0000 -182.89952 -171.85834 11.04118 3.02095 -169.99754 1120.63314
6925.0000 -181.31835 -171.41313 9.90521 2.95647 -171.15441 1050.37075
6930.0000 -180.50279 -169.96480 10.53799 3.00276 -170.32390 1082.01757
6935.0000 -181.51715 -171.96083 9.55633 2.98933 -170.56488 1071.92499
6940.0000 -182.16908 -170.98381 11.18527 2.95728 -171.13981 1022.72137
6945.0000 -181.70836 -172.70369 9.00468 2.92775 -171.66974 1040.02421
6950.0000 -183.46023 -172.21006 11.25017 2.85590 -172.95880 975.20431
6955.0000 -182.31349 -171.47286 10.84063 2.84126 -173.22147 994.83897
6960.0000 -181.64280 -171.90381 9.73899 2.91468 -171.90417 1016.37180
6965.0000 -182.78145 -173.43088 9.35057 2.79467 -174.05753 970.01202
6970.0000 -183.70681 -174.04209 9.66472 2.81624 -173.67043 991.21679
6975.0000 -182.03923 -173.12295 8.91627 2.84322 -173.18631 983.85703
6980.0000 -183.56496 -173.21738 10.34758 2.84196 -173.20894 1001.57715
6985.0000 -183.37432 -174.14155 9.23277 2.82195 -173.56802 993.29419
6990.0000 -183.00912 -173.87908 9.13004 2.84190 -173.21008 1000.51014
6995.0000 -181.63010 -171.10951 10.52058 2.85413 -172.99068 988.57748
7000.0000 -179.42074 -169.50349 9.91725 3.00286 -170.32211 1083.74613
MELTING PROCESS: loop number 29 T-loop= 1047.0000000000000
main_MD> interactions number 29 at Temperature= 1047.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.04737 0.54286 -4.40827
force_rgl> df(natom) -2.22316 -2.04609 -1.10021
7005.0000 -182.30223 -172.04435 10.25788 2.86270 -172.83687 1002.95452
7010.0000 -183.67897 -174.31129 9.36768 2.86157 -172.85718 997.55137
7015.0000 -182.14152 -172.50435 9.63716 2.83462 -173.34072 999.47346
7020.0000 -182.86949 -171.46557 11.40392 2.95820 -171.12339 1042.39871
7025.0000 -182.93626 -172.28606 10.65020 2.90652 -172.05069 1034.07296
7030.0000 -179.75196 -170.33857 9.41339 2.95711 -171.14298 1088.40342
7035.0000 -179.81439 -168.46002 11.35438 3.06074 -169.28352 1122.48543
7040.0000 -180.79699 -169.11532 11.68167 3.08033 -168.93219 1119.98983
7045.0000 -182.29639 -171.79940 10.49700 3.00527 -170.27892 1108.19711
7050.0000 -181.14295 -171.33885 9.80409 2.96528 -170.99632 1081.82698
7055.0000 -182.09326 -173.50060 8.59266 2.87615 -172.59550 984.57786
7060.0000 -181.46612 -172.01844 9.44767 2.86988 -172.70812 958.32501
7065.0000 -182.42907 -171.56478 10.86430 2.88570 -172.42427 1023.14617
7070.0000 -183.05775 -172.91496 10.14279 2.96575 -170.98799 1043.72725
7075.0000 -181.78196 -172.30792 9.47404 2.87380 -172.63768 1013.65768
7080.0000 -182.53487 -172.41924 10.11564 2.83693 -173.29921 969.47792
7085.0000 -181.48064 -171.14883 10.33181 2.88487 -172.43901 1026.93761
7090.0000 -182.51514 -171.55505 10.96010 2.94606 -171.34124 1068.93924
7095.0000 -180.85347 -169.68866 11.16481 2.96651 -170.97419 1061.85787
7100.0000 -180.10631 -170.25858 9.84773 3.06257 -169.25084 1136.04239
7105.0000 -182.86772 -173.41941 9.44831 2.93798 -171.48620 1024.27997
7110.0000 -179.34697 -169.56813 9.77883 2.91519 -171.89499 1006.93116
7115.0000 -178.90079 -168.40161 10.49918 3.01729 -170.06318 1105.23715
7120.0000 -179.82203 -169.31339 10.50863 3.09068 -168.74636 1120.50983
7125.0000 -182.68390 -172.19034 10.49356 2.92784 -171.66814 1006.77666
7130.0000 -181.62341 -170.89447 10.72894 2.91858 -171.83429 1044.96428
7135.0000 -179.63705 -168.38714 11.24991 3.02146 -169.98844 1104.66880
7140.0000 -181.97863 -171.04638 10.93226 3.01557 -170.09407 1082.76977
7145.0000 -182.80104 -173.01955 9.78149 2.90011 -172.16566 1050.31694
7150.0000 -182.25750 -173.58334 8.67416 2.86914 -172.72138 986.29069
7155.0000 -183.29056 -173.02870 10.26187 2.80520 -173.86852 964.62171
7160.0000 -180.11944 -170.25313 9.86631 2.90545 -172.06990 1041.96694
7165.0000 -182.00673 -170.59112 11.41561 3.00506 -170.28253 1101.77429
7170.0000 -181.84832 -171.14265 10.70567 2.94055 -171.44014 1089.70087
7175.0000 -183.70036 -172.76856 10.93180 2.89702 -172.22105 1038.22006
7180.0000 -181.25374 -169.92846 11.32528 2.91161 -171.95925 1022.06041
7185.0000 -183.36062 -172.34794 11.01268 2.95856 -171.11693 1073.57158
7190.0000 -183.28300 -173.11752 10.16548 2.89502 -172.25700 1026.65355
7195.0000 -180.92559 -169.97131 10.95427 2.88317 -172.46956 1008.42955
7200.0000 -181.89283 -171.81404 10.07879 2.98237 -170.68971 1055.78211
7205.0000 -183.73185 -175.17699 8.55486 2.79677 -174.01982 956.58085
7210.0000 -182.94351 -174.70072 8.24279 2.74551 -174.93955 911.25610
7215.0000 -181.53533 -171.21452 10.32081 2.85306 -173.00979 1007.10981
7220.0000 -179.88899 -169.08684 10.80215 3.01511 -170.10223 1102.48157
7225.0000 -181.58484 -170.63844 10.94639 3.04763 -169.51882 1130.36083
7230.0000 -182.83180 -171.79746 11.03434 2.90885 -172.00888 1044.96294
7235.0000 -182.86557 -172.71600 10.14957 2.88049 -172.51762 1055.77010
7240.0000 -182.54016 -173.41009 9.13008 2.83800 -173.28010 984.47679
7245.0000 -183.48055 -172.32285 11.15770 2.83975 -173.24871 967.91991
7250.0000 -181.15680 -171.09692 10.05988 2.94207 -171.41287 1060.22678
MELTING PROCESS: loop number 30 T-loop= 1072.0000000000000
main_MD> interactions number 30 at Temperature= 1072.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.33169 -1.54358 0.06099
force_rgl> df(natom) -0.53500 0.22971 0.94808
7255.0000 -179.50407 -169.83887 9.66520 2.97483 -170.82493 1040.66117
7260.0000 -181.20490 -169.66160 11.54330 3.03489 -169.74740 1088.34924
7265.0000 -179.44122 -166.77714 12.66409 3.16375 -167.43540 1204.45417
7270.0000 -178.81904 -168.33169 10.48736 3.07942 -168.94836 1137.38876
7275.0000 -180.47249 -169.50260 10.96989 3.10285 -168.52806 1144.91983
7280.0000 -183.44453 -171.99153 11.45300 2.98427 -170.65570 1081.95872
7285.0000 -182.35760 -170.33996 12.01764 2.91331 -171.92879 1027.20773
7290.0000 -182.40399 -173.23622 9.16777 2.89484 -172.26020 1006.62370
7295.0000 -183.25622 -173.26018 9.99604 2.84032 -173.23839 1011.84568
7300.0000 -181.21576 -170.51936 10.69640 2.94935 -171.28213 1052.95721
7305.0000 -179.95447 -170.98449 8.96998 2.95912 -171.10679 1058.52996
7310.0000 -180.66242 -169.26332 11.39910 3.04512 -169.56392 1122.22602
7315.0000 -180.20424 -167.60238 12.60186 3.10043 -168.57153 1159.71962
7320.0000 -177.74800 -167.97966 9.76834 3.16969 -167.32880 1208.87774
7325.0000 -181.15030 -168.63194 12.51836 3.11355 -168.33610 1143.58593
7330.0000 -180.37338 -169.65529 10.71809 3.06469 -169.21263 1115.55983
7335.0000 -182.26372 -171.54766 10.71606 3.06632 -169.18341 1135.95195
7340.0000 -181.78246 -171.66764 10.11483 2.94739 -171.31734 1028.98081
7345.0000 -180.84983 -171.12016 9.72967 2.96138 -171.06640 1060.34476
7350.0000 -180.37509 -170.65004 9.72505 2.95045 -171.26244 1043.41095
7355.0000 -181.35156 -169.69494 11.65662 2.99228 -170.51189 1066.27597
7360.0000 -180.40011 -169.21498 11.18514 2.98090 -170.71605 1099.44031
7365.0000 -182.26426 -170.60311 11.66116 3.04955 -169.48430 1126.82169
7370.0000 -178.71675 -167.37691 11.33984 3.03378 -169.76735 1110.48446
7375.0000 -181.85335 -171.53950 10.31385 3.06546 -169.19883 1118.91253
7380.0000 -182.77327 -172.68601 10.08726 2.92046 -171.80045 1032.99250
7385.0000 -180.89829 -170.82789 10.07040 2.90957 -171.99584 1038.22593
7390.0000 -181.37682 -169.91087 11.46595 2.96453 -171.00986 1074.03261
7395.0000 -180.09983 -170.04775 10.05207 2.99928 -170.38638 1088.12271
7400.0000 -179.59676 -170.07376 9.52300 2.93525 -171.53524 1005.42917
7405.0000 -182.06078 -171.42965 10.63113 2.97859 -170.75762 1076.40412
7410.0000 -181.50192 -168.91103 12.59089 2.94521 -171.35644 1061.14753
7415.0000 -181.15510 -171.28553 9.86958 2.97608 -170.80254 1079.36115
7420.0000 -182.40268 -172.19173 10.21095 2.96012 -171.08885 1061.72545
7425.0000 -181.12584 -169.76903 11.35681 2.94637 -171.33572 1030.81568
7430.0000 -182.55629 -172.87405 9.68225 2.94050 -171.44102 1043.57426
7435.0000 -181.75394 -172.73090 9.02304 2.85201 -173.02864 999.02477
7440.0000 -181.36449 -170.91219 10.45230 2.87777 -172.56647 1017.93466
7445.0000 -181.72722 -170.19509 11.53213 2.98492 -170.64397 1062.05053
7450.0000 -179.67061 -168.93496 10.73565 3.05680 -169.35424 1107.67444
7455.0000 -179.68594 -169.24033 10.44560 3.02442 -169.93519 1104.05229
7460.0000 -180.53427 -169.77436 10.75991 3.04849 -169.50338 1092.24151
7465.0000 -180.56122 -169.67860 10.88262 3.06280 -169.24663 1113.82103
7470.0000 -180.97217 -170.56353 10.40864 2.98295 -170.67928 1075.65859
7475.0000 -182.42387 -171.48385 10.94001 2.95853 -171.11755 1091.00541
7480.0000 -182.02177 -171.72350 10.29827 2.86769 -172.74741 997.91853
7485.0000 -181.65820 -169.99748 11.66071 2.93468 -171.54533 1058.23965
7490.0000 -180.57152 -170.16381 10.40771 2.97712 -170.78387 1057.26552
7495.0000 -182.81592 -173.47655 9.33937 2.96888 -170.93170 1079.88616
7500.0000 -180.70754 -171.27623 9.43131 2.89273 -172.29809 1011.65733
MELTING PROCESS: loop number 31 T-loop= 1097.0000000000000
main_MD> interactions number 31 at Temperature= 1097.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.24390 1.32135 -3.73222
force_rgl> df(natom) -6.43412 4.28209 2.85567
7505.0000 -180.24464 -171.34896 8.89568 2.97457 -170.82965 1067.74354
7510.0000 -180.08351 -169.42358 10.65993 3.01340 -170.13291 1103.91382
7515.0000 -183.02137 -172.69189 10.32948 2.93979 -171.45374 1056.08260
7520.0000 -182.14774 -171.34328 10.80446 2.92111 -171.78880 1023.11804
7525.0000 -180.19253 -169.97646 10.21607 2.99308 -170.49749 1050.18252
7530.0000 -179.68422 -169.81641 9.86781 2.99357 -170.48876 1086.34710
7535.0000 -179.80714 -169.51319 10.29395 3.05137 -169.45164 1117.86339
7540.0000 -181.69595 -171.12225 10.57370 2.96659 -170.97288 1075.26849
7545.0000 -183.43267 -172.66306 10.76961 2.91970 -171.81422 1035.09223
7550.0000 -183.44772 -173.54005 9.90768 2.83862 -173.26883 987.45744
7555.0000 -180.77979 -169.17162 11.60817 2.97979 -170.73597 1069.62216
7560.0000 -180.48822 -170.25306 10.23517 3.03995 -169.65652 1119.76505
7565.0000 -181.38266 -169.59292 11.78974 3.04590 -169.54984 1083.71532
7570.0000 -180.07435 -169.63498 10.43937 3.05633 -169.36265 1137.98314
7575.0000 -180.86671 -169.21066 11.65605 3.08008 -168.93666 1107.40648
7580.0000 -181.44420 -171.81628 9.62791 3.00234 -170.33133 1076.81171
7585.0000 -181.41641 -170.68640 10.73001 2.95678 -171.14882 1050.66472
7590.0000 -180.49007 -169.14050 11.34958 3.00886 -170.21446 1106.88170
7595.0000 -181.53116 -170.58817 10.94299 2.99391 -170.48266 1096.01842
7600.0000 -181.17494 -171.68036 9.49458 2.95141 -171.24522 1051.16066
7605.0000 -182.73316 -171.57794 11.15523 2.93788 -171.48803 1037.93928
7610.0000 -179.13550 -168.26876 10.86675 3.02339 -169.95375 1089.97082
7615.0000 -179.84440 -170.21681 9.62760 3.02279 -169.96448 1121.79768
7620.0000 -181.67319 -169.43905 12.23414 2.98412 -170.65829 1082.87536
7625.0000 -181.34443 -169.03302 12.31141 3.10791 -168.43720 1156.28819
7630.0000 -181.89079 -170.41847 11.47233 3.09032 -168.75282 1159.58122
7635.0000 -180.41176 -170.23546 10.17631 2.99194 -170.51797 1075.94448
7640.0000 -180.71584 -168.47970 12.23614 3.07970 -168.94338 1135.32796
7645.0000 -179.70678 -167.74506 11.96173 3.11527 -168.30515 1143.68894
7650.0000 -181.91936 -170.96792 10.95143 3.09130 -168.73525 1155.30022
7655.0000 -182.04936 -172.24442 9.80494 2.92608 -171.69971 1038.06697
7660.0000 -180.69499 -171.65381 9.04118 2.90550 -172.06897 1030.43658
7665.0000 -181.90863 -170.63257 11.27606 2.96127 -171.06832 1063.90327
7670.0000 -181.62956 -172.94966 8.67990 2.96351 -171.02807 1059.39534
7675.0000 -181.84143 -170.72875 11.11268 2.98633 -170.61875 1046.48224
7680.0000 -180.31109 -169.37169 10.93941 3.04825 -169.50762 1118.88594
7685.0000 -182.15530 -170.79661 11.35869 3.01116 -170.17317 1099.67745
7690.0000 -180.94960 -170.59608 10.35352 2.96594 -170.98458 1057.81426
7695.0000 -180.72758 -171.01735 9.71023 3.00341 -170.31212 1087.96640
7700.0000 -181.13931 -171.77622 9.36309 2.88194 -172.49165 1011.50859
7705.0000 -181.26902 -169.60604 11.66298 2.93558 -171.52915 1044.48103
7710.0000 -184.17029 -173.39412 10.77617 2.97077 -170.89791 1079.65917
7715.0000 -180.42018 -172.03811 8.38207 2.92058 -171.79840 1035.08091
7720.0000 -180.21409 -170.83171 9.38238 2.92505 -171.71813 1044.34154
7725.0000 -180.79802 -170.12560 10.67242 2.97202 -170.87541 1080.29067
7730.0000 -181.18845 -171.62877 9.55969 2.99559 -170.45243 1080.30931
7735.0000 -182.47610 -171.28335 11.19275 2.94278 -171.40013 1056.91687
7740.0000 -178.80307 -167.95438 10.84870 3.09113 -168.73836 1165.64007
7745.0000 -182.46952 -172.64031 9.82921 3.00507 -170.28245 1082.65083
7750.0000 -182.99245 -173.69799 9.29445 2.87146 -172.67973 1015.35023
MELTING PROCESS: loop number 32 T-loop= 1122.0000000000000
main_MD> interactions number 32 at Temperature= 1122.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07482 1.38210 -1.84472
force_rgl> df(natom) 0.70398 -0.47182 5.33844
7755.0000 -181.48045 -170.27428 11.20617 2.88012 -172.52425 1027.56829
7760.0000 -179.35455 -169.47405 9.88050 3.00143 -170.34781 1083.34274
7765.0000 -181.05215 -171.52856 9.52359 2.99265 -170.50519 1075.09525
7770.0000 -180.06038 -168.84008 11.22030 3.05794 -169.33375 1149.38456
7775.0000 -178.71317 -167.97834 10.73483 3.15411 -167.60823 1172.38865
7780.0000 -178.36464 -166.47406 11.89058 3.18791 -167.00195 1198.65228
7785.0000 -180.44027 -169.40571 11.03456 3.14037 -167.85484 1165.06668
7790.0000 -179.90584 -170.02169 9.88414 3.06717 -169.16822 1129.46757
7795.0000 -183.48640 -171.19518 12.29122 3.02564 -169.91334 1096.67308
7800.0000 -178.75932 -167.97159 10.78773 2.98105 -170.71347 1090.87951
7805.0000 -179.97500 -167.76562 12.20938 3.11830 -168.25090 1156.22910
7810.0000 -179.70432 -168.65557 11.04874 3.18052 -167.13447 1230.09906
7815.0000 -178.92580 -168.97565 9.95015 3.12983 -168.04397 1135.11140
7820.0000 -176.82841 -165.57345 11.25495 3.12136 -168.19600 1119.04628
7825.0000 -181.53396 -167.00005 14.53392 3.23927 -166.08032 1241.13392
7830.0000 -179.42096 -168.49417 10.92679 3.16947 -167.33278 1213.88604
7835.0000 -178.11146 -167.39994 10.71152 3.11242 -168.35625 1157.43021
7840.0000 -176.91343 -166.58857 10.32485 3.17013 -167.32089 1210.47467
7845.0000 -178.61197 -167.25954 11.35242 3.20497 -166.69570 1229.54934
7850.0000 -178.54113 -167.31357 11.22756 3.23846 -166.09484 1249.37350
7855.0000 -180.11712 -169.16121 10.95591 3.12117 -168.19939 1159.61677
7860.0000 -181.69020 -170.27006 11.42013 3.01394 -170.12325 1090.93177
7865.0000 -180.51184 -168.87817 11.63367 3.06602 -169.18881 1118.81778
7870.0000 -180.72380 -170.63003 10.09377 3.02450 -169.93387 1057.99338
7875.0000 -180.92456 -169.43286 11.49170 3.05833 -169.32691 1112.16403
7880.0000 -180.95815 -171.75700 9.20115 3.03614 -169.72488 1087.62542
7885.0000 -181.22813 -169.42233 11.80580 2.99828 -170.40432 1117.02184
7890.0000 -179.75508 -169.23029 10.52479 3.04109 -169.63612 1159.02812
7895.0000 -181.01626 -168.96496 12.05131 3.07751 -168.98275 1176.76030
7900.0000 -179.28995 -167.57337 11.71658 3.13746 -167.90705 1201.51596
7905.0000 -179.69402 -169.82080 9.87322 3.08397 -168.86685 1131.66877
7910.0000 -181.55756 -170.85140 10.70617 3.00253 -170.32792 1100.64763
7915.0000 -179.85608 -169.30950 10.54658 3.05453 -169.39507 1124.56398
7920.0000 -179.67062 -169.22923 10.44139 3.07081 -169.10290 1141.03400
7925.0000 -179.70373 -168.92265 10.78108 3.05910 -169.31297 1115.37414
7930.0000 -180.76640 -170.33150 10.43490 2.98999 -170.55294 1069.51000
7935.0000 -178.98948 -167.58482 11.40467 3.11684 -168.27707 1153.95343
7940.0000 -179.12312 -168.44289 10.68023 3.09170 -168.72810 1121.93954
7945.0000 -179.61891 -168.83434 10.78458 3.09014 -168.75611 1141.88340
7950.0000 -180.81861 -168.32965 12.48897 3.13866 -167.88547 1152.00547
7955.0000 -178.65474 -167.19911 11.45564 3.14938 -167.69316 1191.08994
7960.0000 -177.64175 -165.54578 12.09598 3.22656 -166.30849 1251.16149
7965.0000 -178.14061 -167.49054 10.65007 3.20721 -166.65560 1197.70404
7970.0000 -180.32060 -169.74896 10.57164 3.18323 -167.08592 1218.04154
7975.0000 -180.07769 -168.18242 11.89528 3.06878 -169.13937 1130.81034
7980.0000 -178.14319 -168.24243 9.90076 3.10660 -168.46077 1166.11848
7985.0000 -179.22574 -165.31833 13.90741 3.12283 -168.16949 1157.94541
7990.0000 -178.45449 -166.47367 11.98082 3.23670 -166.12640 1229.51772
7995.0000 -178.90160 -166.63697 12.26463 3.24914 -165.90319 1278.57894
8000.0000 -177.50772 -165.79829 11.70943 3.22021 -166.42239 1213.51159
MELTING PROCESS: loop number 33 T-loop= 1147.0000000000000
main_MD> interactions number 33 at Temperature= 1147.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.18294 2.71376 0.68068
force_rgl> df(natom) -7.54875 -5.99959 4.43658
8005.0000 -176.64099 -167.29090 9.35009 3.15191 -167.64787 1148.79831
8010.0000 -179.41706 -166.01034 13.40672 3.14610 -167.75197 1173.37160
8015.0000 -180.12110 -165.11859 15.00251 3.19884 -166.80582 1221.06433
8020.0000 -176.68793 -166.48832 10.19962 3.24327 -166.00862 1239.29247
8025.0000 -178.21685 -165.83043 12.38642 3.20366 -166.71934 1210.41674
8030.0000 -179.36732 -166.60898 12.75834 3.19766 -166.82701 1220.45610
8035.0000 -179.61185 -168.04672 11.56513 3.17803 -167.17922 1177.37566
8040.0000 -179.18837 -168.78514 10.40323 3.13962 -167.86836 1187.03954
8045.0000 -179.88947 -169.20322 10.68625 3.07181 -169.08500 1123.19802
8050.0000 -178.66961 -167.82622 10.84339 3.13296 -167.98786 1156.45122
8055.0000 -178.95034 -166.80463 12.14571 3.14816 -167.71504 1172.69022
8060.0000 -174.86673 -163.62079 11.24594 3.21719 -166.47653 1183.11281
8065.0000 -178.87929 -169.20647 9.67282 3.26823 -165.56083 1252.74209
8070.0000 -178.31221 -168.21443 10.09778 3.04951 -169.48516 1087.32723
8075.0000 -179.59594 -167.97869 11.61725 3.17238 -167.28053 1189.99196
8080.0000 -180.11485 -169.50626 10.60858 3.08037 -168.93134 1178.37815
8085.0000 -179.64930 -169.12474 10.52456 3.10110 -168.55952 1153.28382
8090.0000 -179.59135 -169.80715 9.78420 3.13199 -168.00523 1157.54615
8095.0000 -180.02797 -168.47613 11.55183 3.06892 -169.13689 1134.84674
8100.0000 -179.72388 -167.42034 12.30354 3.11170 -168.36926 1151.98721
8105.0000 -181.83325 -170.86084 10.97241 3.05181 -169.44377 1158.52383
8110.0000 -179.99735 -168.30672 11.69062 3.04065 -169.64410 1109.89465
8115.0000 -178.83485 -167.75883 11.07602 3.10591 -168.47319 1134.99971
8120.0000 -181.40497 -170.41392 10.99105 3.09916 -168.59429 1154.77585
8125.0000 -180.85119 -168.64814 12.20305 3.01458 -170.11181 1101.54100
8130.0000 -182.37312 -171.52032 10.85279 3.07072 -169.10449 1145.50664
8135.0000 -179.95884 -168.43111 11.52773 3.04544 -169.55806 1123.43319
8140.0000 -177.47893 -165.60452 11.87441 3.17418 -167.24826 1176.91598
8145.0000 -179.67207 -167.93102 11.74104 3.14438 -167.78286 1183.64896
8150.0000 -179.86099 -168.72543 11.13557 3.10468 -168.49524 1141.66548
8155.0000 -180.78780 -169.70658 11.08122 3.06035 -169.29052 1112.24963
8160.0000 -181.66744 -170.56808 11.09935 2.96390 -171.02117 1037.50225
8165.0000 -179.61686 -168.91585 10.70101 3.12885 -168.06148 1152.14648
8170.0000 -179.71800 -168.62672 11.09128 3.04832 -169.50634 1115.23684
8175.0000 -181.70682 -171.90323 9.80359 3.06877 -169.13949 1140.83087
8180.0000 -179.72279 -167.69751 12.02528 3.00312 -170.31742 1074.50743
8185.0000 -179.01465 -167.65967 11.35498 3.12546 -168.12235 1157.27524
8190.0000 -181.53019 -170.57204 10.95815 3.12892 -168.06024 1202.29019
8195.0000 -180.62326 -170.15239 10.47087 2.96995 -170.91257 1073.88092
8200.0000 -179.80804 -168.76589 11.04215 3.12901 -168.05867 1194.29765
8205.0000 -178.94686 -166.36936 12.57750 3.13122 -168.01908 1187.67449
8210.0000 -180.19250 -170.61862 9.57389 3.16137 -167.47815 1169.77217
8215.0000 -181.21510 -169.02277 12.19233 3.05166 -169.44649 1105.95620
8220.0000 -179.25851 -166.61136 12.64715 3.10304 -168.52468 1168.86134
8225.0000 -179.76037 -166.50140 13.25897 3.24937 -165.89917 1267.17621
8230.0000 -180.11651 -167.53611 12.58040 3.20166 -166.75512 1247.18670
8235.0000 -182.37965 -170.16362 12.21602 3.09338 -168.69792 1163.42731
8240.0000 -179.77863 -168.27784 11.50079 3.09287 -168.70708 1174.95827
8245.0000 -178.69964 -169.74121 8.95842 3.08512 -168.84607 1167.11653
8250.0000 -181.32137 -171.78987 9.53150 2.97624 -170.79968 1062.52522
MELTING PROCESS: loop number 34 T-loop= 1172.0000000000000
main_MD> interactions number 34 at Temperature= 1172.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61323 1.64442 -1.20988
force_rgl> df(natom) -0.63337 -1.92119 -0.36468
8255.0000 -181.25978 -169.19669 12.06309 2.97835 -170.76190 1046.58555
8260.0000 -179.72976 -168.36434 11.36542 3.07343 -169.05587 1154.15712
8265.0000 -178.07885 -168.28069 9.79816 3.07780 -168.97744 1136.60892
8270.0000 -180.19867 -170.20894 9.98972 3.08149 -168.91135 1132.15347
8275.0000 -177.61577 -166.59653 11.01924 3.18392 -167.07354 1212.26284
8280.0000 -179.68048 -165.18080 14.49969 3.27167 -165.49896 1272.45540
8285.0000 -178.43744 -167.93065 10.50679 3.22897 -166.26520 1237.01244
8290.0000 -178.42699 -166.85314 11.57386 3.21150 -166.57866 1204.34289
8295.0000 -179.66925 -166.89173 12.77752 3.19217 -166.92535 1226.99225
8300.0000 -178.14471 -166.75714 11.38757 3.22079 -166.41189 1238.17602
8305.0000 -179.20913 -166.69539 12.51374 3.16838 -167.35225 1220.50250
8310.0000 -178.32960 -166.17879 12.15081 3.21543 -166.50817 1215.40007
8315.0000 -176.67156 -163.09472 13.57684 3.30888 -164.83134 1304.65859
8320.0000 -176.66330 -165.83576 10.82753 3.29863 -165.01533 1281.40246
8325.0000 -179.03718 -165.53438 13.50279 3.25465 -165.80442 1225.82867
8330.0000 -180.31713 -167.50886 12.80827 3.24203 -166.03079 1253.06312
8335.0000 -180.95510 -169.86109 11.09401 3.10340 -168.51811 1139.81309
8340.0000 -179.50640 -170.03754 9.46885 3.06159 -169.26838 1109.89986
8345.0000 -180.02908 -168.23774 11.79134 3.04566 -169.55410 1095.53148
8350.0000 -181.55557 -170.28369 11.27188 3.02271 -169.96595 1084.69086
8355.0000 -181.16434 -169.80217 11.36218 2.99136 -170.52835 1078.26459
8360.0000 -179.97606 -168.93127 11.04479 3.06806 -169.15218 1109.34629
8365.0000 -182.23285 -169.94254 12.29031 3.07769 -168.97941 1139.05515
8370.0000 -181.94613 -171.16571 10.78042 2.98276 -170.68265 1097.91208
8375.0000 -178.18403 -168.81014 9.37389 3.02127 -169.99178 1120.15805
8380.0000 -181.29496 -170.82018 10.47478 3.07697 -168.99230 1122.45426
8385.0000 -180.41928 -169.67719 10.74209 3.04574 -169.55275 1110.25577
8390.0000 -180.69452 -169.69062 11.00390 2.96131 -171.06764 1064.74694
8395.0000 -179.81530 -169.38611 10.42919 3.05913 -169.31249 1128.93558
8400.0000 -180.82279 -169.33109 11.49170 3.11866 -168.24435 1139.85525
8405.0000 -179.99528 -169.26110 10.73419 3.05811 -169.33076 1124.81758
8410.0000 -182.06634 -171.59448 10.47186 3.02336 -169.95418 1116.87065
8415.0000 -180.29908 -170.72615 9.57293 2.90288 -172.11589 1012.63677
8420.0000 -180.39632 -170.20387 10.19245 3.00605 -170.26492 1105.23518
8425.0000 -180.93249 -171.61736 9.31513 2.97238 -170.86887 1086.44947
8430.0000 -183.00125 -173.69719 9.30405 2.97675 -170.79054 1114.25537
8435.0000 -182.73967 -172.48611 10.25356 2.87715 -172.57759 1027.46362
8440.0000 -182.51149 -171.40017 11.11132 2.90439 -172.08881 1056.34692
8445.0000 -181.82190 -171.63047 10.19143 2.94820 -171.30275 1067.25526
8450.0000 -181.39335 -171.01349 10.37987 2.98616 -170.62169 1100.00845
8455.0000 -180.99988 -169.52977 11.47010 2.98826 -170.58408 1071.01094
8460.0000 -180.93607 -169.65896 11.27711 3.03809 -169.68989 1070.75422
8465.0000 -180.32570 -168.69350 11.63220 3.10061 -168.56817 1141.35768
8470.0000 -180.65535 -169.35403 11.30132 3.08770 -168.79989 1164.60575
8475.0000 -181.41504 -167.96521 13.44983 3.13428 -167.96418 1212.13571
8480.0000 -178.80146 -167.76310 11.03836 3.13293 -167.98830 1185.85635
8485.0000 -178.43251 -166.47691 11.95560 3.16648 -167.38638 1179.98424
8490.0000 -180.26418 -167.90815 12.35603 3.12581 -168.11602 1158.06266
8495.0000 -178.95473 -168.04225 10.91248 3.08931 -168.77096 1155.85181
8500.0000 -176.56357 -164.84905 11.71452 3.20735 -166.65304 1205.52778
MELTING PROCESS: loop number 35 T-loop= 1197.0000000000000
main_MD> interactions number 35 at Temperature= 1197.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.92890 2.15262 2.16526
force_rgl> df(natom) -5.03030 0.40277 3.99549
8505.0000 -177.70047 -164.70832 12.99215 3.31779 -164.67146 1268.39286
8510.0000 -177.49698 -165.17168 12.32530 3.26838 -165.55807 1240.56041
8515.0000 -177.56128 -167.07431 10.48698 3.18375 -167.07650 1199.13960
8520.0000 -177.81188 -166.53531 11.27657 3.17119 -167.30180 1177.73172
8525.0000 -178.82951 -167.31395 11.51556 3.23706 -166.12007 1206.26532
8530.0000 -181.82200 -170.12023 11.70178 3.11771 -168.26136 1181.15996
8535.0000 -179.78128 -167.67550 12.10578 3.12298 -168.16689 1201.25066
8540.0000 -178.35996 -167.50528 10.85468 3.09685 -168.63573 1151.72140
8545.0000 -177.18412 -167.24129 9.94283 3.16141 -167.47734 1168.88847
8550.0000 -175.77929 -164.16443 11.61485 3.23253 -166.20128 1239.07644
8555.0000 -179.30189 -167.19573 12.10617 3.25783 -165.74737 1232.88290
8560.0000 -180.34517 -169.44171 10.90346 3.11065 -168.38815 1188.09270
8565.0000 -181.12954 -169.60969 11.51985 3.10225 -168.53873 1189.59358
8570.0000 -181.78980 -172.01012 9.77968 3.04314 -169.59945 1117.47709
8575.0000 -180.23299 -168.89641 11.33658 3.02536 -169.91844 1117.00310
8580.0000 -178.33920 -168.01828 10.32092 3.04928 -169.48928 1117.65526
8585.0000 -178.38023 -166.12718 12.25305 3.24745 -165.93357 1221.94240
8590.0000 -178.43315 -166.58612 11.84703 3.30061 -164.97983 1264.22026
8595.0000 -178.08622 -167.08525 11.00098 3.29741 -165.03720 1283.65070
8600.0000 -180.22258 -168.45217 11.77041 3.17088 -167.30749 1223.41423
8605.0000 -176.57726 -163.72010 12.85716 3.29780 -165.03024 1289.37841
8610.0000 -175.70503 -163.79737 11.90766 3.27520 -165.43568 1233.09310
8615.0000 -179.40969 -167.53875 11.87094 3.29481 -165.08391 1265.92308
8620.0000 -178.15474 -166.16840 11.98634 3.15381 -167.61370 1197.01028
8625.0000 -179.61760 -168.59235 11.02525 3.15949 -167.51177 1184.92498
8630.0000 -177.48876 -166.54449 10.94427 3.14441 -167.78234 1179.31315
8635.0000 -180.69139 -167.48257 13.20881 3.15926 -167.51596 1133.13540
8640.0000 -180.19429 -167.47096 12.72333 3.19831 -166.81530 1201.01127
8645.0000 -180.30724 -168.86459 11.44265 3.14284 -167.81054 1213.74318
8650.0000 -178.37659 -167.25344 11.12315 3.05356 -169.41244 1128.24501
8655.0000 -181.03043 -169.48895 11.54148 3.12965 -168.04719 1146.89876
8660.0000 -180.78091 -169.08114 11.69977 3.06851 -169.14425 1110.07366
8665.0000 -176.64374 -165.49618 11.14755 3.18800 -167.00029 1221.89048
8670.0000 -178.49648 -166.68034 11.81614 3.23588 -166.14116 1238.48825
8675.0000 -181.68571 -168.09093 13.59479 3.12788 -168.07899 1202.24331
8680.0000 -178.91881 -165.90049 13.01832 3.21029 -166.60030 1238.58908
8685.0000 -179.16064 -167.51450 11.64614 3.17286 -167.27199 1212.28959
8690.0000 -181.78263 -171.08248 10.70016 3.09223 -168.71857 1154.05984
8695.0000 -180.21783 -169.78349 10.43434 3.01748 -170.05973 1101.47039
8700.0000 -179.68812 -168.25037 11.43775 3.07517 -169.02475 1108.18225
8705.0000 -179.53441 -168.36123 11.17318 3.14932 -167.69435 1193.62201
8710.0000 -177.40895 -167.55045 9.85851 3.16475 -167.41750 1188.52503
8715.0000 -180.64533 -167.74472 12.90061 3.16799 -167.35935 1187.94688
8720.0000 -177.40706 -167.38515 10.02191 3.20031 -166.77942 1217.61012
8725.0000 -175.90448 -165.11716 10.78732 3.25355 -165.82410 1218.76540
8730.0000 -178.13468 -166.37062 11.76406 3.28768 -165.21180 1302.06492
8735.0000 -180.06628 -168.16156 11.90473 3.23174 -166.21549 1232.47663
8740.0000 -178.93168 -169.74892 9.18275 3.04538 -169.55910 1138.41419
8745.0000 -180.92520 -167.97591 12.94930 3.08681 -168.81584 1166.50808
8750.0000 -179.89024 -167.26821 12.62203 3.10038 -168.57240 1155.32011
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 37.6328571 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink