tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/meltingSims/run_33/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_33.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 = 33 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: 33 3300
main_MD> Size of nv and nvoiz: 33 3300
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 = 33
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> -1.7652015325798059E-002 -2.4067351400447239E-002 3.7609904596338679E-002 initial drift of cluster / NP1 for coalescence
init> 0.30002872700529287 0.32994705920364603 0.27127691663604836 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.9085614812365279E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10871 0.21545 -0.23474
force_rgl> df(natom) 1.48211 -1.61561 -0.06657
preparo> THERMALIZATION PROCESS AT 316.35567617601208
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -79.985060959558652 1.0616394479562532 -81.046700407514905 3.7351963542328994E-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= 341.00000000000000
main_MD> interactions number 1 at Temperature= 341.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.85572 0.89047 0.76503
force_rgl> df(natom) -0.24884 -1.44045 -0.31525
5.0000 -81.14669 -79.96180 1.18488 1.69146 -79.94784 295.58492
10.0000 -80.97543 -79.39897 1.57646 1.72145 -79.63923 333.00286
15.0000 -80.91476 -79.46153 1.45322 1.75745 -79.26889 363.05849
20.0000 -80.63391 -79.29551 1.33840 1.74674 -79.37908 342.80254
25.0000 -80.67764 -79.04892 1.62872 1.77604 -79.07756 379.06599
30.0000 -80.97586 -79.42183 1.55403 1.74272 -79.42037 349.28494
35.0000 -80.86165 -79.54175 1.31991 1.72704 -79.58176 313.25090
40.0000 -81.07533 -79.60614 1.46919 1.72741 -79.57790 325.31918
45.0000 -81.08866 -79.38186 1.70680 1.73874 -79.46133 333.74297
50.0000 -80.84279 -79.38639 1.45640 1.75450 -79.29927 351.38285
55.0000 -80.76431 -79.05349 1.71081 1.77760 -79.06159 382.74504
60.0000 -80.25404 -78.29462 1.95942 1.82111 -78.61397 431.88182
65.0000 -80.63524 -78.72167 1.91358 1.81641 -78.66227 420.69265
70.0000 -80.67844 -78.95722 1.72122 1.77104 -79.12910 370.78195
75.0000 -80.19324 -78.97852 1.21472 1.77444 -79.09409 373.51335
80.0000 -80.79913 -79.22436 1.57477 1.78879 -78.94646 392.85438
85.0000 -81.10344 -79.47560 1.62784 1.75856 -79.25746 364.57472
90.0000 -80.91331 -79.47700 1.43631 1.75883 -79.25471 369.12609
95.0000 -80.98792 -79.74961 1.23832 1.72579 -79.59455 325.83818
100.0000 -80.84374 -79.46960 1.37414 1.71836 -79.67103 319.92707
105.0000 -80.81005 -79.22280 1.58724 1.75774 -79.26584 360.87169
110.0000 -81.27347 -79.86994 1.40354 1.74070 -79.44116 347.71002
115.0000 -81.22334 -79.97160 1.25174 1.70772 -79.78051 310.45653
120.0000 -81.17949 -79.55666 1.62283 1.69877 -79.87257 296.56865
125.0000 -81.07828 -79.50073 1.57755 1.72336 -79.61956 322.76416
130.0000 -80.69450 -79.01099 1.68350 1.76751 -79.16533 376.23684
135.0000 -80.53280 -79.25889 1.27391 1.78154 -79.02102 387.67031
140.0000 -81.05152 -78.94708 2.10444 1.76201 -79.22199 372.89312
145.0000 -80.53217 -78.78765 1.74452 1.79729 -78.85903 406.87784
150.0000 -81.04874 -79.40563 1.64312 1.76216 -79.22037 357.78093
155.0000 -80.96462 -79.45104 1.51358 1.75774 -79.26585 345.59797
160.0000 -80.85491 -79.20472 1.65019 1.76364 -79.20515 363.27810
165.0000 -80.30000 -78.75431 1.54569 1.78856 -78.94877 379.67697
170.0000 -80.56538 -79.17409 1.39129 1.78798 -78.95479 375.61607
175.0000 -80.99759 -79.66256 1.33503 1.73777 -79.47132 326.16466
180.0000 -80.58685 -79.09183 1.49501 1.74446 -79.40252 337.12169
185.0000 -80.93610 -79.14388 1.79222 1.77327 -79.10611 375.95319
190.0000 -80.48867 -79.41791 1.07076 1.78631 -78.97194 400.46428
195.0000 -80.73582 -79.41560 1.32022 1.73405 -79.50959 327.25765
200.0000 -80.64722 -79.11248 1.53475 1.76605 -79.18035 353.75972
205.0000 -80.83528 -79.18540 1.64987 1.76870 -79.15316 371.01275
210.0000 -80.75466 -79.14375 1.61090 1.78293 -79.00669 372.41550
215.0000 -80.99240 -79.64380 1.34860 1.73076 -79.54348 325.13887
220.0000 -80.81086 -79.48803 1.32283 1.72389 -79.61418 315.17870
225.0000 -80.63512 -79.55729 1.07783 1.74108 -79.43728 352.57159
230.0000 -80.88532 -79.49973 1.38559 1.73579 -79.49166 328.51219
235.0000 -81.14965 -79.64577 1.50389 1.71723 -79.68264 317.87930
240.0000 -80.90541 -79.65342 1.25199 1.71779 -79.67691 315.23182
245.0000 -80.89073 -79.40737 1.48336 1.75019 -79.34358 340.25703
250.0000 -80.85320 -79.56598 1.28722 1.76225 -79.21951 355.11161
MELTING PROCESS: loop number 2 T-loop= 366.00000000000000
main_MD> interactions number 2 at Temperature= 366.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.71509 0.31768 0.32178
force_rgl> df(natom) -1.42620 0.07698 0.14733
255.0000 -80.44652 -79.25872 1.18780 1.74375 -79.40978 321.01555
260.0000 -80.67062 -79.22937 1.44125 1.77797 -79.05770 372.10784
265.0000 -80.64111 -79.12485 1.51627 1.76364 -79.20522 353.23999
270.0000 -81.13477 -79.76760 1.36717 1.73404 -79.50969 331.13426
275.0000 -80.78731 -79.36271 1.42459 1.73374 -79.51278 343.95576
280.0000 -80.37488 -78.53927 1.83562 1.78669 -78.96802 379.85846
285.0000 -80.59833 -78.85732 1.74101 1.80512 -78.77840 395.34613
290.0000 -80.69713 -78.86693 1.83021 1.77567 -79.08138 369.16059
295.0000 -81.00069 -78.70466 2.29603 1.81284 -78.69895 411.20320
300.0000 -80.65299 -78.82619 1.82679 1.80134 -78.81734 394.05018
305.0000 -80.62861 -79.18095 1.44766 1.79841 -78.84745 403.79860
310.0000 -81.06150 -79.61872 1.44278 1.74622 -79.38442 353.21371
315.0000 -80.97824 -79.47755 1.50069 1.71212 -79.73521 341.78017
320.0000 -80.69717 -78.90792 1.78925 1.77711 -79.06664 405.02089
325.0000 -80.27344 -78.97866 1.29478 1.80319 -78.79824 433.54149
330.0000 -80.85722 -79.10584 1.75138 1.78491 -78.98635 392.31816
335.0000 -81.40541 -79.95509 1.45032 1.71438 -79.71202 339.68221
340.0000 -81.10846 -79.75949 1.34898 1.71409 -79.71492 341.17021
345.0000 -81.10806 -79.64835 1.45971 1.71620 -79.69323 344.66245
350.0000 -81.41601 -80.01716 1.39885 1.68879 -79.97529 316.52056
355.0000 -81.36151 -79.81515 1.54636 1.70639 -79.79417 330.64853
360.0000 -80.90280 -79.18609 1.71671 1.71358 -79.72026 340.91362
365.0000 -80.96059 -79.30780 1.65278 1.74483 -79.39869 370.57360
370.0000 -80.30757 -78.21737 2.09020 1.81907 -78.63494 455.05121
375.0000 -80.91557 -79.56190 1.35367 1.76297 -79.21211 373.93679
380.0000 -81.12268 -79.84088 1.28180 1.70521 -79.80635 331.54186
385.0000 -80.82701 -79.21365 1.61336 1.73099 -79.54105 360.90136
390.0000 -80.58692 -78.95289 1.63403 1.76447 -79.19665 360.75589
395.0000 -80.71985 -79.27488 1.44497 1.76857 -79.15447 363.07323
400.0000 -80.88433 -79.09665 1.78768 1.76963 -79.14354 361.99407
405.0000 -81.01288 -79.39830 1.61458 1.75282 -79.31654 349.75463
410.0000 -81.23195 -79.94549 1.28646 1.72178 -79.63588 348.34249
415.0000 -81.20655 -79.65107 1.55548 1.71106 -79.74616 335.09069
420.0000 -81.24129 -79.94891 1.29238 1.74250 -79.42272 380.92791
425.0000 -81.03956 -79.62449 1.41508 1.71255 -79.73084 342.37467
430.0000 -81.15162 -79.33455 1.81707 1.73012 -79.55004 356.88527
435.0000 -80.84905 -79.19995 1.64910 1.75050 -79.34035 378.71563
440.0000 -81.26112 -79.31351 1.94760 1.73733 -79.47591 349.95082
445.0000 -81.14527 -79.56222 1.58305 1.74574 -79.38930 375.67931
450.0000 -81.22672 -79.73372 1.49300 1.71747 -79.68021 347.26571
455.0000 -81.39522 -79.66647 1.72875 1.72781 -79.57384 367.21043
460.0000 -81.29574 -79.89646 1.39928 1.70100 -79.84966 320.48512
465.0000 -81.05843 -79.12465 1.93378 1.74388 -79.40846 378.67199
470.0000 -80.95404 -79.52928 1.42476 1.75174 -79.32757 399.02703
475.0000 -80.99718 -79.50038 1.49680 1.72982 -79.55315 353.37923
480.0000 -81.35227 -79.93616 1.41612 1.71854 -79.66916 352.70558
485.0000 -80.84857 -79.22227 1.62630 1.72787 -79.57319 358.84176
490.0000 -80.20731 -78.88678 1.32054 1.76693 -79.17131 363.45516
495.0000 -80.69315 -79.03554 1.65761 1.77816 -79.05583 355.20189
500.0000 -81.03755 -79.07654 1.96100 1.78485 -78.98696 373.54223
MELTING PROCESS: loop number 3 T-loop= 391.00000000000000
main_MD> interactions number 3 at Temperature= 391.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.78226 1.80722 0.14426
force_rgl> df(natom) 0.86621 -1.31459 0.94991
505.0000 -80.41703 -78.32268 2.09435 1.78409 -78.99483 378.95628
510.0000 -80.57833 -78.74696 1.83136 1.83070 -78.51525 434.08344
515.0000 -81.00590 -79.41104 1.59486 1.78028 -79.03397 381.94782
520.0000 -80.34306 -78.84973 1.49333 1.77815 -79.05590 367.75290
525.0000 -80.22400 -78.51796 1.70604 1.82393 -78.58495 414.48570
530.0000 -80.47591 -78.54864 1.92727 1.85167 -78.29950 442.11019
535.0000 -80.58505 -79.13800 1.44705 1.79317 -78.90141 398.77433
540.0000 -80.23535 -78.34061 1.89474 1.83447 -78.47651 422.97616
545.0000 -80.46947 -79.06045 1.40902 1.79825 -78.84915 395.98432
550.0000 -80.18898 -78.71750 1.47147 1.77182 -79.12106 363.85538
555.0000 -80.55010 -79.18653 1.36356 1.80577 -78.77169 397.76467
560.0000 -80.99417 -79.35380 1.64037 1.78020 -79.03486 371.97606
565.0000 -80.87212 -79.39484 1.47729 1.75499 -79.29418 349.27337
570.0000 -80.85119 -78.87027 1.98092 1.78247 -79.01150 384.15228
575.0000 -80.51682 -78.64839 1.86844 1.80294 -78.80082 418.28960
580.0000 -80.50339 -79.12882 1.37458 1.77600 -79.07799 394.28691
585.0000 -80.82502 -79.21083 1.61418 1.78465 -78.98900 406.25029
590.0000 -81.00623 -79.80924 1.19699 1.74207 -79.42712 345.06504
595.0000 -80.90704 -79.33884 1.56821 1.71148 -79.74183 328.03684
600.0000 -80.68015 -78.96754 1.71261 1.78553 -78.97994 402.92445
605.0000 -80.28643 -78.33853 1.94790 1.82409 -78.58331 424.14369
610.0000 -79.77352 -78.00773 1.76580 1.87838 -78.02468 495.38881
615.0000 -81.06522 -79.24752 1.81770 1.81262 -78.70130 431.74990
620.0000 -81.09387 -79.28556 1.80831 1.76101 -79.23226 372.76424
625.0000 -80.95925 -79.23043 1.72882 1.75455 -79.29868 368.36440
630.0000 -80.80523 -79.17458 1.63064 1.78585 -78.97669 408.13226
635.0000 -80.63531 -78.57916 2.05615 1.79200 -78.91343 414.10069
640.0000 -80.63073 -78.81181 1.81892 1.79329 -78.90013 411.84830
645.0000 -80.71510 -79.14499 1.57012 1.78912 -78.94305 398.28614
650.0000 -81.13957 -79.39861 1.74096 1.76950 -79.14493 388.10565
655.0000 -81.07232 -79.65365 1.41867 1.74342 -79.41317 366.67287
660.0000 -80.70499 -79.48023 1.22477 1.74942 -79.35152 363.46680
665.0000 -80.69495 -78.95798 1.73697 1.74550 -79.39185 364.76306
670.0000 -80.53531 -78.80413 1.73118 1.79583 -78.87396 418.66777
675.0000 -80.86926 -79.13353 1.73573 1.79201 -78.91327 419.54587
680.0000 -80.54505 -78.76325 1.78180 1.75383 -79.30610 365.38434
685.0000 -81.07056 -79.62211 1.44845 1.75363 -79.30817 362.30993
690.0000 -80.93567 -79.69043 1.24524 1.74637 -79.38289 369.09961
695.0000 -81.16018 -79.52435 1.63583 1.73617 -79.48777 349.51630
700.0000 -81.03794 -79.36297 1.67497 1.73619 -79.48760 352.79765
705.0000 -81.19785 -79.63350 1.56434 1.75455 -79.29866 368.07235
710.0000 -80.65193 -79.26211 1.38981 1.73938 -79.45474 353.27624
715.0000 -80.62035 -78.92705 1.69330 1.76802 -79.16015 388.34735
720.0000 -81.05177 -79.16837 1.88340 1.74986 -79.34693 365.94057
725.0000 -80.86489 -78.99468 1.87021 1.77499 -79.08837 412.26721
730.0000 -80.82049 -79.48676 1.33373 1.74788 -79.36733 371.06444
735.0000 -81.01129 -79.14690 1.86439 1.72326 -79.62067 345.57345
740.0000 -80.24073 -78.62147 1.61926 1.78105 -79.02607 389.84808
745.0000 -80.18892 -78.52059 1.66833 1.82070 -78.61812 426.57802
750.0000 -80.41051 -78.65960 1.75092 1.81928 -78.63270 421.09262
MELTING PROCESS: loop number 4 T-loop= 416.00000000000000
main_MD> interactions number 4 at Temperature= 416.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.44442 0.52719 -1.40538
force_rgl> df(natom) -1.26881 -1.18819 -0.89111
755.0000 -81.01466 -79.18041 1.83425 1.79910 -78.84041 416.20708
760.0000 -80.62117 -79.11263 1.50853 1.77562 -79.08190 387.24370
765.0000 -80.89532 -79.15755 1.73777 1.77371 -79.10158 405.48396
770.0000 -81.18529 -79.19942 1.98587 1.75896 -79.25336 379.50336
775.0000 -81.07035 -79.71107 1.35928 1.73456 -79.50437 354.90542
780.0000 -80.75192 -79.35988 1.39204 1.72947 -79.55674 348.03438
785.0000 -80.91805 -79.29021 1.62783 1.76944 -79.14556 388.66580
790.0000 -80.55998 -78.92982 1.63016 1.75572 -79.28668 372.24816
795.0000 -80.77184 -79.25307 1.51877 1.75018 -79.34363 369.39061
800.0000 -81.07710 -79.29700 1.78010 1.73833 -79.46560 358.51106
805.0000 -80.86957 -79.36972 1.49985 1.74989 -79.34661 360.52384
810.0000 -80.66738 -79.03239 1.63499 1.76256 -79.21625 380.49095
815.0000 -80.98418 -78.71547 2.26871 1.77513 -79.08700 386.90229
820.0000 -81.01965 -78.90325 2.11640 1.79797 -78.85199 419.11059
825.0000 -80.37807 -78.69902 1.67905 1.80920 -78.73642 424.43869
830.0000 -80.90574 -79.39920 1.50654 1.77852 -79.05207 398.73946
835.0000 -80.48701 -78.88480 1.60221 1.77234 -79.11572 379.32822
840.0000 -80.37233 -78.70089 1.67144 1.81314 -78.69588 434.55714
845.0000 -80.76797 -79.13637 1.63160 1.79094 -78.92432 407.12123
850.0000 -80.46200 -78.85393 1.60807 1.80876 -78.74098 425.71608
855.0000 -79.96430 -77.85408 2.11022 1.83454 -78.47570 439.55276
860.0000 -80.27637 -78.55206 1.72431 1.84470 -78.37124 443.08106
865.0000 -80.17490 -78.63488 1.54002 1.83710 -78.44939 409.02203
870.0000 -80.79461 -79.18147 1.61314 1.79527 -78.87976 378.59986
875.0000 -80.52110 -78.79693 1.72417 1.75620 -79.28176 338.59220
880.0000 -79.90873 -78.09908 1.80965 1.82358 -78.58848 417.10644
885.0000 -80.62405 -78.75644 1.86760 1.83872 -78.43272 424.87319
890.0000 -80.38296 -78.33451 2.04845 1.80076 -78.82326 406.42601
895.0000 -80.87616 -79.07129 1.80487 1.79856 -78.84596 411.46088
900.0000 -80.92547 -79.43080 1.49467 1.73611 -79.48841 340.13849
905.0000 -80.76181 -78.98951 1.77231 1.77692 -79.06852 384.14734
910.0000 -80.37952 -78.77854 1.60098 1.80344 -78.79574 400.07546
915.0000 -80.73330 -78.64346 2.08985 1.82131 -78.61189 435.09343
920.0000 -79.94353 -78.25760 1.68593 1.81484 -78.67845 397.15811
925.0000 -80.12617 -78.42682 1.69934 1.83712 -78.44925 403.81072
930.0000 -80.57784 -78.78094 1.79690 1.84180 -78.40110 412.39635
935.0000 -80.56907 -78.64976 1.91931 1.81986 -78.62677 411.07066
940.0000 -80.64836 -78.71132 1.93703 1.82692 -78.55414 426.11041
945.0000 -80.67468 -79.23691 1.43777 1.76962 -79.14364 362.42680
950.0000 -80.53693 -78.84219 1.69474 1.79650 -78.86711 397.07849
955.0000 -80.72949 -79.05259 1.67689 1.79410 -78.89185 369.46050
960.0000 -80.78759 -79.13766 1.64992 1.78173 -79.01908 367.33063
965.0000 -80.82452 -78.90782 1.91670 1.75411 -79.30326 361.47173
970.0000 -80.91819 -79.08206 1.83613 1.76523 -79.18883 388.00028
975.0000 -80.26280 -78.61325 1.64955 1.83740 -78.44629 459.57804
980.0000 -80.27826 -78.42766 1.85060 1.84588 -78.35908 446.50666
985.0000 -80.61656 -78.79847 1.81809 1.85882 -78.22594 466.11597
990.0000 -80.26172 -78.36729 1.89444 1.79583 -78.87399 394.02903
995.0000 -80.30850 -78.63050 1.67801 1.84163 -78.40275 454.36986
1000.0000 -80.29991 -78.62962 1.67029 1.80918 -78.73667 410.02696
MELTING PROCESS: loop number 5 T-loop= 441.00000000000000
main_MD> interactions number 5 at Temperature= 441.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.55417 0.57805 -0.18192
force_rgl> df(natom) -1.14590 0.90091 0.15135
1005.0000 -80.36581 -78.71462 1.65118 1.80056 -78.82539 398.05416
1010.0000 -80.65890 -78.16410 2.49480 1.82002 -78.62513 422.45322
1015.0000 -79.74952 -77.75597 1.99355 1.87670 -78.04201 502.17995
1020.0000 -80.37336 -78.43029 1.94308 1.86132 -78.20018 473.06924
1025.0000 -80.41788 -78.19700 2.22088 1.84073 -78.41203 445.64382
1030.0000 -80.14802 -78.13798 2.01004 1.87716 -78.03730 480.12060
1035.0000 -80.06281 -78.38674 1.67606 1.86794 -78.13208 471.58492
1040.0000 -80.22220 -78.28228 1.93992 1.83888 -78.43106 437.53542
1045.0000 -80.39533 -78.44777 1.94756 1.84796 -78.33763 450.32614
1050.0000 -80.21377 -78.17925 2.03452 1.85968 -78.21707 480.06732
1055.0000 -79.65324 -77.77217 1.88107 1.86405 -78.17215 451.96099
1060.0000 -79.36131 -77.26886 2.09244 1.93295 -77.46328 519.24036
1065.0000 -80.23746 -78.65394 1.58351 1.89852 -77.81747 490.26314
1070.0000 -80.45463 -78.29616 2.15847 1.86307 -78.18218 441.43101
1075.0000 -80.28750 -78.33550 1.95200 1.84672 -78.35044 442.17737
1080.0000 -79.97403 -77.83827 2.13576 1.87271 -78.08301 464.99251
1085.0000 -80.03028 -78.32722 1.70306 1.83591 -78.46162 407.03007
1090.0000 -80.38542 -78.34526 2.04017 1.85254 -78.29060 439.82490
1095.0000 -80.23779 -77.99571 2.24209 1.85527 -78.26246 444.64236
1100.0000 -80.78671 -79.23243 1.55429 1.79639 -78.86827 398.04331
1105.0000 -80.09584 -78.55856 1.53728 1.81503 -78.67649 404.49833
1110.0000 -79.83480 -77.54170 2.29310 1.88378 -77.96911 479.92293
1115.0000 -80.24614 -77.96366 2.28248 1.88041 -78.00377 452.04575
1120.0000 -79.98699 -78.05731 1.92969 1.84638 -78.35389 426.54099
1125.0000 -80.49808 -78.86448 1.63360 1.83460 -78.47510 428.08518
1130.0000 -80.83786 -78.76353 2.07433 1.80009 -78.83021 400.47400
1135.0000 -80.64906 -79.16145 1.48761 1.80242 -78.80621 423.24749
1140.0000 -80.37244 -78.70574 1.66670 1.79201 -78.91332 394.79399
1145.0000 -79.92936 -78.18664 1.74271 1.85692 -78.24552 450.77804
1150.0000 -80.04806 -77.88845 2.15961 1.85238 -78.29220 449.70068
1155.0000 -80.11179 -78.11111 2.00069 1.87510 -78.05844 473.70015
1160.0000 -80.56198 -78.36041 2.20157 1.88946 -77.91076 490.76780
1165.0000 -80.74750 -79.37341 1.37409 1.77605 -79.07754 359.69980
1170.0000 -80.19324 -78.67060 1.52265 1.77982 -79.03873 365.63112
1175.0000 -80.03418 -78.05488 1.97930 1.80949 -78.73346 392.73333
1180.0000 -79.29223 -77.53681 1.75542 1.91290 -77.66954 516.07149
1185.0000 -80.03149 -77.93224 2.09925 1.92224 -77.57349 503.58320
1190.0000 -80.04682 -78.52270 1.52412 1.87355 -78.07439 435.93444
1195.0000 -80.31276 -78.05797 2.25479 1.87264 -78.08377 462.30174
1200.0000 -80.21792 -77.93903 2.27889 1.87202 -78.09018 466.09005
1205.0000 -79.83426 -77.73523 2.09903 1.85782 -78.23620 467.41210
1210.0000 -80.23136 -78.31879 1.91257 1.86559 -78.15625 475.26363
1215.0000 -79.95785 -78.25209 1.70575 1.85330 -78.28274 456.26466
1220.0000 -80.28853 -78.29381 1.99471 1.85589 -78.25608 442.86481
1225.0000 -80.42628 -78.47600 1.95028 1.86383 -78.17439 466.99132
1230.0000 -79.81822 -78.04363 1.77459 1.83718 -78.44860 448.93402
1235.0000 -80.62883 -78.43476 2.19408 1.83616 -78.45905 440.53193
1240.0000 -80.15807 -78.24850 1.90958 1.85190 -78.29709 440.89667
1245.0000 -80.34132 -78.54376 1.79756 1.83428 -78.47838 435.58826
1250.0000 -80.24180 -78.58460 1.65720 1.83053 -78.51705 434.99020
MELTING PROCESS: loop number 6 T-loop= 466.00000000000000
main_MD> interactions number 6 at Temperature= 466.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.97138 1.43568 -0.85121
force_rgl> df(natom) -0.87987 1.15338 -0.54934
1255.0000 -80.40029 -77.99698 2.40331 1.85873 -78.22689 456.49348
1260.0000 -80.45875 -78.46505 1.99370 1.87082 -78.10244 477.75302
1265.0000 -79.75568 -77.90482 1.85086 1.84417 -78.37664 440.37147
1270.0000 -79.73131 -77.77675 1.95456 1.90847 -77.71515 494.65863
1275.0000 -80.06098 -77.61961 2.44137 1.93293 -77.46350 514.92988
1280.0000 -79.61662 -77.50545 2.11117 1.90189 -77.78285 488.01658
1285.0000 -80.67080 -78.69988 1.97092 1.87168 -78.09362 482.04792
1290.0000 -80.49846 -78.47567 2.02279 1.80869 -78.74172 422.14750
1295.0000 -80.69019 -78.95880 1.73139 1.81428 -78.68419 424.16036
1300.0000 -80.56767 -78.90715 1.66052 1.80413 -78.78863 387.04447
1305.0000 -80.50706 -78.82635 1.68071 1.80751 -78.75380 411.49480
1310.0000 -80.15617 -77.99352 2.16265 1.85124 -78.30397 454.20289
1315.0000 -79.90173 -77.87804 2.02369 1.87198 -78.09056 470.21982
1320.0000 -79.67963 -77.59169 2.08795 1.89421 -77.86179 504.53294
1325.0000 -80.59319 -78.02577 2.56742 1.90253 -77.77620 510.43492
1330.0000 -80.16019 -78.26648 1.89371 1.86748 -78.13685 475.53934
1335.0000 -80.39874 -78.03921 2.35953 1.85721 -78.24251 465.34958
1340.0000 -79.80653 -77.35022 2.45631 1.88364 -77.97055 489.72515
1345.0000 -80.06477 -77.62304 2.44173 1.89453 -77.85860 490.27347
1350.0000 -79.92654 -78.02127 1.90527 1.90551 -77.74561 516.15936
1355.0000 -80.35376 -78.28536 2.06840 1.88288 -77.97842 494.07255
1360.0000 -80.20364 -78.59234 1.61130 1.84265 -78.39228 433.05390
1365.0000 -79.98873 -77.79882 2.18991 1.86803 -78.13124 461.63180
1370.0000 -80.06315 -77.66429 2.39885 1.90601 -77.74046 511.04020
1375.0000 -80.13991 -78.16190 1.97801 1.88565 -77.94995 498.60663
1380.0000 -80.17296 -78.43377 1.73919 1.82948 -78.52782 421.16191
1385.0000 -80.46729 -78.40686 2.06043 1.86566 -78.15557 468.42370
1390.0000 -80.16325 -77.84764 2.31560 1.87068 -78.10389 475.39019
1395.0000 -79.53835 -77.38248 2.15586 1.91442 -77.65396 520.21743
1400.0000 -79.69762 -77.63652 2.06110 1.89077 -77.89718 481.55277
1405.0000 -80.41958 -78.18422 2.23536 1.90467 -77.75426 494.65344
1410.0000 -80.47850 -78.50393 1.97458 1.86835 -78.12791 489.11280
1415.0000 -80.74171 -78.54146 2.20025 1.83912 -78.42867 459.34160
1420.0000 -80.01487 -78.14611 1.86875 1.85869 -78.22724 458.57071
1425.0000 -80.57368 -78.05864 2.51504 1.84816 -78.33567 472.39684
1430.0000 -79.86472 -78.03826 1.82645 1.89579 -77.84561 498.41767
1435.0000 -80.33654 -78.06314 2.27340 1.90011 -77.80116 509.12868
1440.0000 -80.19796 -78.26286 1.93511 1.86909 -78.12024 486.40008
1445.0000 -80.29283 -78.83620 1.45663 1.82639 -78.55964 418.32525
1450.0000 -80.10519 -78.14367 1.96153 1.85183 -78.29787 453.96750
1455.0000 -80.26538 -78.28543 1.97994 1.84667 -78.35097 429.94661
1460.0000 -79.98825 -77.96894 2.01931 1.85111 -78.30525 438.04457
1465.0000 -80.30495 -78.59909 1.70585 1.89034 -77.90161 473.33396
1470.0000 -80.50975 -78.49696 2.01279 1.83581 -78.46267 421.12299
1475.0000 -80.72820 -78.68538 2.04282 1.84562 -78.36177 459.23539
1480.0000 -80.09656 -78.40220 1.69437 1.81266 -78.70085 415.43284
1485.0000 -79.99653 -78.26428 1.73224 1.86715 -78.14021 468.84056
1490.0000 -80.50406 -79.03957 1.46449 1.83306 -78.49100 426.71990
1495.0000 -80.17032 -77.76687 2.40345 1.83775 -78.44274 434.50977
1500.0000 -79.99253 -78.49824 1.49429 1.87595 -78.04966 459.95957
MELTING PROCESS: loop number 7 T-loop= 491.00000000000000
main_MD> interactions number 7 at Temperature= 491.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27054 -0.80349 -0.05730
force_rgl> df(natom) -1.25220 0.08175 0.88076
1505.0000 -79.84138 -78.16382 1.67755 1.85225 -78.29359 431.76171
1510.0000 -79.49676 -77.81675 1.68001 1.87167 -78.09377 465.81715
1515.0000 -80.12294 -78.50203 1.62091 1.90834 -77.71644 526.93562
1520.0000 -80.32350 -77.91508 2.40842 1.86481 -78.16432 449.92213
1525.0000 -80.56506 -78.34903 2.21603 1.85400 -78.27555 448.95657
1530.0000 -80.01440 -78.11928 1.89512 1.84014 -78.41814 445.04494
1535.0000 -80.10604 -77.55285 2.55319 1.88097 -77.99808 479.25807
1540.0000 -79.98329 -77.71316 2.27013 1.88479 -77.95875 494.72845
1545.0000 -79.93760 -78.04691 1.89069 1.89537 -77.84992 500.48808
1550.0000 -79.72571 -77.90619 1.81951 1.89723 -77.83081 488.53789
1555.0000 -80.29964 -78.21953 2.08010 1.85958 -78.21811 471.97511
1560.0000 -79.87282 -77.96824 1.90458 1.84755 -78.34190 458.71606
1565.0000 -80.62197 -77.93255 2.68942 1.88444 -77.96238 496.18143
1570.0000 -79.70420 -76.95852 2.74568 1.91537 -77.64419 507.89394
1575.0000 -79.41859 -77.24497 2.17361 1.95695 -77.21637 556.45832
1580.0000 -80.19057 -77.98459 2.20597 1.91457 -77.65238 528.47435
1585.0000 -80.32710 -78.79007 1.53703 1.83945 -78.42528 455.72645
1590.0000 -79.92448 -77.58374 2.34074 1.87958 -78.01240 495.91100
1595.0000 -79.40815 -77.14954 2.25860 1.92615 -77.53321 525.45032
1600.0000 -80.32575 -77.21391 3.11183 1.93939 -77.39704 541.83876
1605.0000 -80.17948 -77.45153 2.72795 1.94994 -77.28846 569.03561
1610.0000 -80.22747 -77.86574 2.36173 1.90947 -77.70481 544.89081
1615.0000 -80.38070 -78.49001 1.89070 1.86643 -78.14765 471.11264
1620.0000 -79.94876 -77.84216 2.10660 1.84749 -78.34252 481.39372
1625.0000 -80.53784 -78.57974 1.95810 1.85841 -78.23011 475.44655
1630.0000 -80.32241 -78.36997 1.95244 1.80293 -78.80097 435.95430
1635.0000 -79.93742 -77.83935 2.09807 1.85625 -78.25240 462.28233
1640.0000 -79.64765 -77.50769 2.13997 1.93487 -77.44349 534.76645
1645.0000 -79.86132 -77.78428 2.07704 1.92290 -77.56665 497.73609
1650.0000 -79.71786 -77.29760 2.42026 1.91532 -77.64461 524.74763
1655.0000 -79.62728 -77.94713 1.68016 1.89716 -77.83151 479.80171
1660.0000 -79.57005 -77.15591 2.41414 1.94081 -77.38241 526.11901
1665.0000 -79.40384 -76.87306 2.53077 1.99684 -76.80598 580.81139
1670.0000 -80.07476 -77.60274 2.47202 1.93178 -77.47529 512.03860
1675.0000 -79.96474 -77.97633 1.98841 1.88429 -77.96389 482.08371
1680.0000 -79.72070 -77.69633 2.02438 1.88764 -77.92946 480.46200
1685.0000 -80.16409 -78.34767 1.81642 1.90843 -77.71558 522.64411
1690.0000 -80.43580 -78.08853 2.34728 1.87225 -78.08775 497.59244
1695.0000 -80.49717 -78.48340 2.01377 1.87357 -78.07418 477.42293
1700.0000 -80.27825 -78.18478 2.09347 1.83625 -78.45820 439.58860
1705.0000 -79.92639 -78.10965 1.81674 1.87820 -78.02655 497.53676
1710.0000 -80.34217 -78.04656 2.29562 1.88211 -77.98629 479.33346
1715.0000 -80.15370 -78.14174 2.01196 1.87710 -78.03791 478.20627
1720.0000 -80.26165 -78.37334 1.88831 1.81742 -78.65190 428.57550
1725.0000 -80.29035 -78.37002 1.92033 1.85378 -78.27784 458.42309
1730.0000 -80.22538 -78.51496 1.71042 1.85618 -78.25316 470.18411
1735.0000 -79.97232 -77.70247 2.26985 1.86524 -78.15987 483.07096
1740.0000 -78.93543 -77.27004 1.66539 1.92607 -77.53406 513.60330
1745.0000 -79.81712 -77.59143 2.22569 1.93236 -77.46932 504.10029
1750.0000 -79.63704 -76.93261 2.70443 1.95791 -77.20652 553.72620
MELTING PROCESS: loop number 8 T-loop= 516.00000000000000
main_MD> interactions number 8 at Temperature= 516.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.11448 0.11691 -0.91927
force_rgl> df(natom) 1.77317 1.69383 0.74504
1755.0000 -79.62847 -77.03696 2.59151 1.95898 -77.19549 568.47618
1760.0000 -79.34097 -77.34579 1.99518 1.96051 -77.17970 537.52969
1765.0000 -79.40943 -76.77537 2.63406 1.98414 -76.93658 572.53760
1770.0000 -79.22317 -76.35293 2.87024 2.03804 -76.38208 621.17552
1775.0000 -79.80316 -77.48020 2.32295 1.99154 -76.86053 597.88747
1780.0000 -79.71106 -77.54796 2.16310 1.95516 -77.23474 536.82575
1785.0000 -79.85668 -77.55416 2.30252 1.95056 -77.28205 529.38629
1790.0000 -80.10033 -78.02893 2.07140 1.87596 -78.04962 482.25942
1795.0000 -79.92619 -77.68090 2.24529 1.88714 -77.93456 501.13959
1800.0000 -79.44798 -75.83129 3.61670 1.99493 -76.82559 590.32437
1805.0000 -78.94176 -77.06752 1.87424 2.04735 -76.28633 614.26813
1810.0000 -79.60435 -77.48088 2.12347 1.92935 -77.50030 479.83929
1815.0000 -79.30830 -76.71078 2.59751 1.94081 -77.38240 527.96956
1820.0000 -80.28436 -77.79076 2.49359 1.92971 -77.49656 521.33570
1825.0000 -79.83531 -77.01872 2.81660 1.94117 -77.37868 509.27263
1830.0000 -79.65855 -77.46129 2.19726 1.92049 -77.59142 531.53208
1835.0000 -79.99228 -78.14895 1.84333 1.88739 -77.93205 495.61909
1840.0000 -79.58681 -77.24035 2.34645 1.91871 -77.60979 508.13189
1845.0000 -79.67243 -76.97904 2.69338 1.96743 -77.10854 540.53503
1850.0000 -79.02696 -76.76808 2.25887 2.02358 -76.53089 580.09282
1855.0000 -80.15533 -78.25962 1.89571 1.95700 -77.21588 553.57598
1860.0000 -80.07986 -78.18753 1.89233 1.86530 -78.15927 455.12114
1865.0000 -80.25264 -78.55339 1.69925 1.86439 -78.16866 461.99211
1870.0000 -79.99823 -77.89464 2.10358 1.86252 -78.18789 461.46599
1875.0000 -79.57560 -77.45273 2.12287 1.90981 -77.70133 494.28712
1880.0000 -79.91954 -77.21148 2.70805 1.92263 -77.56941 499.00623
1885.0000 -79.91084 -77.35506 2.55578 1.94658 -77.32307 529.28611
1890.0000 -79.82175 -77.69906 2.12270 1.92432 -77.55207 531.17146
1895.0000 -80.09380 -77.87442 2.21939 1.88841 -77.92156 479.70146
1900.0000 -80.36160 -78.29124 2.07036 1.89249 -77.87959 513.72148
1905.0000 -80.13731 -77.73653 2.40078 1.87778 -78.03085 491.24008
1910.0000 -79.72865 -78.14566 1.58298 1.88874 -77.91809 489.55418
1915.0000 -79.82061 -77.94406 1.87654 1.87895 -78.01884 484.59475
1920.0000 -79.98198 -78.43028 1.55170 1.83330 -78.48852 436.50712
1925.0000 -79.97023 -78.42803 1.54220 1.84516 -78.36644 448.21764
1930.0000 -80.23338 -78.17413 2.05925 1.86470 -78.16544 480.35161
1935.0000 -79.73169 -78.01970 1.71198 1.86686 -78.14320 466.73182
1940.0000 -79.67212 -77.23010 2.44202 1.93337 -77.45899 543.35719
1945.0000 -79.58104 -77.42252 2.15852 1.90664 -77.73396 540.71625
1950.0000 -79.99055 -77.54372 2.44683 1.90669 -77.73341 511.85680
1955.0000 -79.20320 -77.19117 2.01203 1.92401 -77.55527 527.69082
1960.0000 -79.23626 -76.80795 2.42831 1.99060 -76.87014 589.93038
1965.0000 -80.32419 -77.88341 2.44078 1.88283 -77.97895 480.92471
1970.0000 -79.88356 -77.65863 2.22493 1.88684 -77.93770 507.24778
1975.0000 -79.77057 -78.05437 1.71621 1.87216 -78.08868 450.08466
1980.0000 -79.71950 -77.80337 1.91613 1.87094 -78.10128 450.37342
1985.0000 -79.92204 -77.78755 2.13448 1.88873 -77.91822 486.20213
1990.0000 -79.54761 -78.07566 1.47195 1.89969 -77.80546 504.19391
1995.0000 -80.02620 -77.09697 2.92924 1.91639 -77.63363 506.39145
2000.0000 -80.07918 -77.42090 2.65828 1.95073 -77.28039 556.46385
MELTING PROCESS: loop number 9 T-loop= 541.00000000000000
main_MD> interactions number 9 at Temperature= 541.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.29049 -0.72246 -1.37648
force_rgl> df(natom) 1.74825 -2.34765 1.41855
2005.0000 -79.69132 -77.40694 2.28437 1.92825 -77.51166 540.83460
2010.0000 -79.51960 -77.09125 2.42836 1.94394 -77.35021 525.58230
2015.0000 -79.65867 -77.41627 2.24240 1.95425 -77.24415 539.27527
2020.0000 -79.30541 -76.26969 3.03572 1.98683 -76.90899 613.42168
2025.0000 -79.21988 -76.46404 2.75584 2.03056 -76.45908 654.70523
2030.0000 -79.69380 -77.25870 2.43511 1.98830 -76.89380 575.64110
2035.0000 -79.27183 -76.54481 2.72701 1.98765 -76.90054 563.07352
2040.0000 -79.22567 -76.46478 2.76089 2.03126 -76.45181 628.55342
2045.0000 -79.42471 -76.95165 2.47306 2.01861 -76.58198 595.02428
2050.0000 -78.97363 -76.64305 2.33058 1.96641 -77.11902 576.63982
2055.0000 -78.75500 -76.80345 1.95155 1.97227 -77.05878 555.93207
2060.0000 -79.86489 -77.03212 2.83277 1.99734 -76.80081 603.48512
2065.0000 -78.95131 -76.52410 2.42722 2.03247 -76.43940 619.40605
2070.0000 -80.29576 -77.79861 2.49715 1.96402 -77.14361 535.70675
2075.0000 -79.50154 -77.49807 2.00347 1.91897 -77.60709 516.68402
2080.0000 -80.27704 -78.25898 2.01806 1.88936 -77.91175 480.34985
2085.0000 -79.34441 -77.63855 1.70585 1.90192 -77.78251 493.37293
2090.0000 -79.43888 -77.25513 2.18375 1.93459 -77.44644 519.15229
2095.0000 -79.13782 -76.74292 2.39490 1.93651 -77.42662 547.76142
2100.0000 -78.91666 -76.20960 2.70706 2.03790 -76.38350 618.32081
2105.0000 -79.67371 -77.48296 2.19075 1.98009 -76.97830 592.70358
2110.0000 -79.76900 -77.32111 2.44789 1.93337 -77.45891 516.99810
2115.0000 -79.28741 -76.23459 3.05282 1.99954 -76.77819 574.37412
2120.0000 -79.92931 -77.21941 2.70991 1.96232 -77.16114 562.32097
2125.0000 -79.80301 -76.75722 3.04580 1.94527 -77.33655 551.06433
2130.0000 -78.57218 -76.64464 1.92754 1.98276 -76.95086 549.92870
2135.0000 -80.07825 -77.38740 2.69086 2.00339 -76.73855 587.90420
2140.0000 -80.01520 -77.73790 2.27730 1.90091 -77.79293 510.90622
2145.0000 -79.55104 -77.92524 1.62581 1.88780 -77.92776 487.11156
2150.0000 -80.10473 -78.48085 1.62388 1.89871 -77.81559 475.63492
2155.0000 -79.24662 -77.32334 1.92328 1.89955 -77.80694 493.45386
2160.0000 -78.71556 -76.54424 2.17132 1.98895 -76.88715 542.70313
2165.0000 -80.17469 -78.29596 1.87873 1.94154 -77.37491 510.36834
2170.0000 -79.81881 -77.78248 2.03633 1.85953 -78.21861 436.04431
2175.0000 -79.61082 -77.75076 1.86006 1.90607 -77.73984 483.37979
2180.0000 -80.66270 -78.42541 2.23730 1.91631 -77.63451 536.50733
2185.0000 -80.10213 -77.74588 2.35625 1.89034 -77.90168 503.76978
2190.0000 -80.09535 -77.46447 2.63088 1.91131 -77.68593 531.81494
2195.0000 -79.88877 -77.83097 2.05779 1.92235 -77.57230 515.84815
2200.0000 -79.61916 -76.97851 2.64065 1.90526 -77.74813 494.26824
2205.0000 -79.46021 -77.37687 2.08334 1.94287 -77.36117 546.19565
2210.0000 -80.19379 -77.95850 2.23529 1.90980 -77.70146 492.19029
2215.0000 -79.83671 -77.27900 2.55770 1.93650 -77.42676 539.62288
2220.0000 -80.14612 -77.50528 2.64084 1.95608 -77.22531 562.23478
2225.0000 -79.39206 -77.00012 2.39195 1.97987 -76.98053 589.74167
2230.0000 -79.20330 -76.58504 2.61826 1.98669 -76.91035 583.07934
2235.0000 -79.02969 -76.11364 2.91605 2.02710 -76.49466 634.40909
2240.0000 -79.82725 -77.84405 1.98320 1.98937 -76.88277 566.39142
2245.0000 -79.75935 -77.06524 2.69410 1.93959 -77.39496 533.00465
2250.0000 -79.82819 -78.13311 1.69508 1.91812 -77.61581 513.73010
MELTING PROCESS: loop number 10 T-loop= 566.00000000000000
main_MD> interactions number 10 at Temperature= 566.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36046 -0.21973 -2.88920
force_rgl> df(natom) 1.23680 -0.08080 -0.25320
2255.0000 -79.16311 -76.22213 2.94098 1.98423 -76.93573 586.92331
2260.0000 -78.01696 -75.22853 2.78843 2.11353 -75.60537 687.47766
2265.0000 -78.24627 -74.82388 3.42239 2.16123 -75.11466 711.18087
2270.0000 -78.79258 -76.46882 2.32376 2.06485 -76.10624 631.04018
2275.0000 -78.57939 -75.92251 2.65687 2.04810 -76.27860 639.89409
2280.0000 -78.73006 -76.54453 2.18553 2.04850 -76.27442 598.48840
2285.0000 -79.68697 -77.78535 1.90162 1.99409 -76.83429 550.11600
2290.0000 -79.52900 -77.55804 1.97096 1.89309 -77.87334 471.65480
2295.0000 -79.94372 -77.43961 2.50411 1.94069 -77.38361 551.26569
2300.0000 -80.05370 -77.58997 2.46373 1.96389 -77.14491 550.07906
2305.0000 -79.66033 -77.63377 2.02656 1.89903 -77.81226 486.71188
2310.0000 -79.98911 -77.53738 2.45173 1.92212 -77.57473 551.81541
2315.0000 -80.03537 -77.77753 2.25784 1.91109 -77.68821 536.93547
2320.0000 -79.43502 -77.57672 1.85830 1.93270 -77.46583 530.03463
2325.0000 -79.05391 -76.11571 2.93820 1.96469 -77.13677 573.88098
2330.0000 -80.03691 -78.23934 1.79757 2.00191 -76.75380 611.75405
2335.0000 -79.72441 -76.94813 2.77628 1.92183 -77.57773 518.97052
2340.0000 -79.20512 -76.59765 2.60747 2.00197 -76.75318 577.15028
2345.0000 -78.80862 -76.21887 2.58975 2.00203 -76.75258 594.80125
2350.0000 -78.72920 -76.74146 1.98774 2.08575 -75.89119 675.93853
2355.0000 -80.11534 -78.04892 2.06642 1.95293 -77.25775 553.41896
2360.0000 -79.18934 -76.28447 2.90487 1.91352 -77.66316 503.88421
2365.0000 -79.54275 -76.82759 2.71516 1.98131 -76.96577 560.97075
2370.0000 -79.40383 -76.78529 2.61855 2.00529 -76.71907 601.98223
2375.0000 -79.50191 -77.41942 2.08249 1.92397 -77.55571 551.52926
2380.0000 -79.36198 -76.98313 2.37885 1.97095 -77.07233 569.20678
2385.0000 -79.47747 -77.13652 2.34094 1.98227 -76.95585 618.80283
2390.0000 -79.26189 -76.75578 2.50611 1.96487 -77.13485 578.15701
2395.0000 -79.19574 -76.74906 2.44668 2.02399 -76.52658 637.50236
2400.0000 -79.66288 -76.81545 2.84743 1.99470 -76.82794 597.08946
2405.0000 -79.50429 -77.31330 2.19099 1.95873 -77.19809 564.88849
2410.0000 -80.21091 -78.32639 1.88452 1.89159 -77.88878 462.44143
2415.0000 -79.68771 -77.11244 2.57527 1.93368 -77.45576 511.91269
2420.0000 -79.34339 -77.41297 1.93043 1.94926 -77.29544 533.50178
2425.0000 -80.36383 -78.08292 2.28090 1.90635 -77.73698 508.64470
2430.0000 -79.90285 -77.36309 2.53976 1.91190 -77.67989 510.91920
2435.0000 -79.43530 -77.31912 2.11619 1.95054 -77.28236 575.49001
2440.0000 -79.91078 -77.47239 2.43840 1.95461 -77.24048 569.62046
2445.0000 -80.25410 -78.21429 2.03981 1.91516 -77.64628 513.86913
2450.0000 -79.86995 -77.69673 2.17322 1.89392 -77.86478 491.52554
2455.0000 -80.00135 -78.04179 1.95956 1.85802 -78.23420 452.53491
2460.0000 -80.33664 -78.52281 1.81383 1.86428 -78.16982 468.93665
2465.0000 -80.07034 -78.28595 1.78439 1.82877 -78.53513 430.17368
2470.0000 -79.55084 -77.57890 1.97194 1.85929 -78.22112 478.24878
2475.0000 -80.42335 -78.21937 2.20397 1.86990 -78.11200 488.75812
2480.0000 -80.20161 -77.92396 2.27764 1.93685 -77.42314 542.35851
2485.0000 -80.18840 -77.22019 2.96821 1.90484 -77.75252 499.95951
2490.0000 -80.06741 -77.33048 2.73693 1.94720 -77.31668 537.95078
2495.0000 -79.91676 -76.75756 3.15920 1.99490 -76.82597 570.68101
2500.0000 -79.57211 -77.06243 2.50969 1.96119 -77.17277 591.60369
MELTING PROCESS: loop number 11 T-loop= 591.00000000000000
main_MD> interactions number 11 at Temperature= 591.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.91241 -0.36693 4.06118
force_rgl> df(natom) 1.02137 1.01887 2.16146
2505.0000 -79.32108 -76.77023 2.55085 1.98448 -76.93310 582.57069
2510.0000 -79.30670 -77.08375 2.22295 1.95885 -77.19683 568.50527
2515.0000 -78.99913 -76.66281 2.33633 2.00733 -76.69808 583.81052
2520.0000 -79.45783 -75.95805 3.49978 2.02708 -76.49483 624.83699
2525.0000 -79.32260 -76.68064 2.64196 2.05363 -76.22173 638.83113
2530.0000 -79.35933 -76.21054 3.14880 2.00571 -76.71469 619.77929
2535.0000 -79.79927 -77.47402 2.32525 2.01975 -76.57026 618.58886
2540.0000 -79.36443 -76.91516 2.44927 1.97786 -77.00126 593.80716
2545.0000 -79.42683 -76.79415 2.63268 1.96793 -77.10343 552.34087
2550.0000 -79.70184 -76.45592 3.24592 2.00097 -76.76346 605.11616
2555.0000 -78.96687 -76.61960 2.34727 2.01324 -76.63728 627.89157
2560.0000 -79.51154 -77.09031 2.42123 1.99435 -76.83153 585.87724
2565.0000 -79.45824 -77.10709 2.35116 1.97772 -77.00269 602.51418
2570.0000 -78.75281 -76.63547 2.11734 1.96311 -77.15299 540.08432
2575.0000 -79.30926 -76.78146 2.52780 1.99058 -76.87041 590.23546
2580.0000 -79.62450 -77.51916 2.10534 1.98860 -76.89074 588.81059
2585.0000 -79.63506 -77.11643 2.51863 1.94939 -77.29414 531.42438
2590.0000 -79.52930 -76.75003 2.77927 2.00182 -76.75476 599.12208
2595.0000 -79.31744 -77.24932 2.06812 1.99075 -76.86862 587.34598
2600.0000 -78.62655 -76.57625 2.05029 1.99054 -76.87075 559.29073
2605.0000 -78.91703 -76.57030 2.34672 2.03992 -76.36276 642.37513
2610.0000 -79.83117 -77.47399 2.35718 1.98776 -76.89935 597.47736
2615.0000 -79.25234 -77.16494 2.08740 1.96350 -77.14899 564.02569
2620.0000 -78.99635 -76.80621 2.19014 1.99113 -76.86468 573.06590
2625.0000 -79.02069 -76.80014 2.22056 2.04369 -76.32396 648.98775
2630.0000 -79.25747 -76.94664 2.31083 2.00966 -76.67411 613.84186
2635.0000 -79.21256 -77.27750 1.93505 1.96852 -77.09735 579.43614
2640.0000 -79.97828 -77.31282 2.66546 1.93543 -77.43775 537.19603
2645.0000 -80.25148 -77.74567 2.50581 1.90384 -77.76276 502.63887
2650.0000 -79.67503 -77.64813 2.02690 1.91606 -77.63708 500.92592
2655.0000 -79.12975 -77.23277 1.89699 1.93201 -77.47300 544.25150
2660.0000 -79.04215 -75.95779 3.08436 2.00075 -76.76572 594.25373
2665.0000 -78.74512 -76.15254 2.59258 2.06771 -76.07681 638.48761
2670.0000 -78.93791 -76.05480 2.88311 2.03869 -76.37540 623.73186
2675.0000 -78.39020 -76.22594 2.16426 2.07930 -75.95763 676.85178
2680.0000 -78.73806 -76.26899 2.46907 2.05576 -76.19973 657.47062
2685.0000 -79.46549 -76.43174 3.03375 2.02211 -76.54602 601.65542
2690.0000 -79.56597 -76.71013 2.85584 2.02106 -76.55682 650.30564
2695.0000 -79.56358 -76.82040 2.74318 1.99634 -76.81111 601.89624
2700.0000 -79.20040 -76.45791 2.74249 2.00382 -76.73412 597.88892
2705.0000 -79.33783 -76.70980 2.62803 2.03180 -76.44630 633.91999
2710.0000 -79.23347 -76.08746 3.14601 2.03106 -76.45392 639.83491
2715.0000 -79.02889 -76.56473 2.46415 2.06415 -76.11347 672.71691
2720.0000 -79.27199 -76.89613 2.37586 2.00769 -76.69438 587.12865
2725.0000 -79.35591 -76.76499 2.59092 1.98495 -76.92826 580.21706
2730.0000 -79.23061 -76.05787 3.17273 2.01700 -76.59858 621.48742
2735.0000 -79.38026 -76.88420 2.49605 2.02039 -76.56369 611.49347
2740.0000 -79.98624 -77.88211 2.10413 1.92139 -77.58221 526.97124
2745.0000 -78.63991 -75.45034 3.18957 2.00614 -76.71023 602.64129
2750.0000 -79.01595 -75.94203 3.07392 2.11169 -75.62430 688.87665
MELTING PROCESS: loop number 12 T-loop= 616.00000000000000
main_MD> interactions number 12 at Temperature= 616.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00109 -2.20702 0.56954
force_rgl> df(natom) -0.79051 0.19962 -0.44675
2755.0000 -79.10945 -75.66973 3.43972 2.06276 -76.12774 662.27806
2760.0000 -78.62415 -75.78605 2.83810 2.09192 -75.82772 663.28013
2765.0000 -79.08760 -76.27500 2.81260 2.07033 -76.04985 653.43644
2770.0000 -78.79766 -76.15348 2.64418 2.02137 -76.55358 623.06180
2775.0000 -79.19147 -76.39197 2.79950 2.05381 -76.21986 616.31323
2780.0000 -78.23696 -75.47365 2.76331 2.08527 -75.89619 672.36569
2785.0000 -79.16028 -76.20321 2.95707 2.11660 -75.57388 705.61967
2790.0000 -79.30473 -76.38520 2.91953 2.01714 -76.59707 624.04608
2795.0000 -79.21426 -75.83696 3.37730 2.05901 -76.16638 656.01686
2800.0000 -79.17361 -76.80363 2.36998 2.01574 -76.61154 576.92209
2805.0000 -79.54394 -76.65942 2.88452 1.98991 -76.87728 570.81740
2810.0000 -79.47244 -76.69224 2.78020 2.00848 -76.68617 604.81871
2815.0000 -79.64762 -77.00148 2.64614 1.98288 -76.94963 567.33053
2820.0000 -79.33707 -77.10970 2.22737 1.97632 -77.01705 552.71088
2825.0000 -78.43028 -76.02892 2.40136 2.00810 -76.69008 585.86153
2830.0000 -79.68821 -76.94871 2.73950 2.04834 -76.27616 598.52246
2835.0000 -79.14511 -76.13148 3.01363 2.03313 -76.43255 635.82028
2840.0000 -79.12315 -76.30195 2.82120 2.04153 -76.34615 663.25111
2845.0000 -78.88382 -76.26688 2.61694 2.08030 -75.94734 664.45260
2850.0000 -78.89356 -76.47041 2.42315 2.04166 -76.34488 650.66321
2855.0000 -79.88681 -77.44179 2.44503 1.97395 -77.04148 559.62520
2860.0000 -79.09643 -76.68778 2.40865 1.94482 -77.34111 525.55388
2865.0000 -79.52767 -77.28310 2.24457 1.97886 -76.99095 564.96075
2870.0000 -79.45573 -76.88202 2.57371 1.92936 -77.50017 535.07788
2875.0000 -79.62788 -77.16254 2.46534 1.98239 -76.95463 602.20014
2880.0000 -78.96568 -76.58927 2.37640 1.99669 -76.80754 624.56108
2885.0000 -79.28155 -77.40334 1.87820 1.95593 -77.22683 540.23062
2890.0000 -78.70886 -75.74559 2.96327 2.02966 -76.46825 630.58105
2895.0000 -79.03027 -76.53310 2.49716 2.08211 -75.92869 652.55765
2900.0000 -78.61374 -76.59758 2.01616 1.99158 -76.86004 558.52906
2905.0000 -79.22316 -77.08813 2.13503 1.98338 -76.94442 533.62947
2910.0000 -79.23205 -76.24639 2.98566 2.02942 -76.47075 610.29513
2915.0000 -77.90811 -74.72613 3.18197 2.14039 -75.32906 704.95984
2920.0000 -79.09172 -75.78073 3.31099 2.15393 -75.18976 699.93986
2925.0000 -79.39213 -76.11062 3.28152 2.03470 -76.41643 588.30185
2930.0000 -78.83990 -75.55244 3.28747 2.07297 -76.02270 645.71771
2935.0000 -79.59347 -77.11302 2.48045 2.04522 -76.30817 652.96177
2940.0000 -79.30097 -76.02893 3.27204 2.00649 -76.70664 606.32165
2945.0000 -79.66672 -76.43187 3.23485 2.04232 -76.33810 623.90515
2950.0000 -79.01149 -76.30937 2.70212 2.01053 -76.66507 601.80543
2955.0000 -78.85092 -76.47621 2.37470 2.02436 -76.52286 569.82813
2960.0000 -79.75911 -76.79621 2.96291 2.04017 -76.36013 610.10705
2965.0000 -79.10819 -76.17199 2.93620 2.02294 -76.53747 605.60562
2970.0000 -79.51449 -76.33341 3.18108 2.02517 -76.51448 591.56503
2975.0000 -78.92443 -76.69058 2.23385 2.03306 -76.43331 624.27808
2980.0000 -78.63202 -76.21982 2.41220 2.02382 -76.52838 631.57764
2985.0000 -78.35664 -75.53253 2.82411 2.07107 -76.04227 662.97729
2990.0000 -79.46169 -76.37158 3.09012 2.07378 -76.01435 632.52409
2995.0000 -79.09490 -76.59055 2.50435 2.02891 -76.47603 617.97550
3000.0000 -78.78499 -76.10006 2.68493 2.01772 -76.59109 634.73640
MELTING PROCESS: loop number 13 T-loop= 641.00000000000000
main_MD> interactions number 13 at Temperature= 641.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17278 1.16415 1.73878
force_rgl> df(natom) 2.68522 0.67685 2.38300
3005.0000 -79.28059 -76.52799 2.75260 2.04553 -76.30500 660.10933
3010.0000 -79.27350 -77.10225 2.17125 2.00754 -76.69588 624.36149
3015.0000 -79.70402 -76.86538 2.83863 2.00641 -76.70746 598.67751
3020.0000 -78.80055 -76.14306 2.65749 2.02012 -76.56649 608.00761
3025.0000 -78.29475 -75.68450 2.61025 2.07383 -76.01384 633.97905
3030.0000 -79.73780 -76.75090 2.98690 2.10258 -75.71811 696.75298
3035.0000 -78.72423 -75.99886 2.72538 2.05144 -76.24423 640.74376
3040.0000 -79.20097 -76.42096 2.78001 2.02669 -76.49884 596.58412
3045.0000 -78.78133 -75.92930 2.85203 2.07709 -75.98030 671.49078
3050.0000 -79.86268 -77.29415 2.56853 2.04100 -76.35158 632.81943
3055.0000 -79.51055 -77.02337 2.48718 1.95915 -77.19370 546.08965
3060.0000 -79.29867 -77.36047 1.93819 1.97792 -77.00057 554.28996
3065.0000 -78.69589 -76.43520 2.26069 1.99311 -76.84432 565.22309
3070.0000 -78.97570 -75.86956 3.10614 2.06164 -76.13924 642.32557
3075.0000 -79.07923 -76.05911 3.02012 2.08298 -75.91970 665.46904
3080.0000 -78.26269 -75.41014 2.85255 2.10328 -75.71088 689.28303
3085.0000 -78.54589 -75.87795 2.66794 2.10868 -75.65533 675.30175
3090.0000 -79.07779 -76.65149 2.42630 2.08268 -75.92277 631.74538
3095.0000 -78.73751 -75.71036 3.02715 2.06389 -76.11609 578.27645
3100.0000 -78.15417 -75.24307 2.91110 2.15861 -75.14166 706.62219
3105.0000 -78.52296 -75.55647 2.96649 2.13696 -75.36438 684.66167
3110.0000 -79.06811 -76.12796 2.94015 2.07731 -75.97807 661.89388
3115.0000 -78.79213 -75.17703 3.61510 2.10288 -75.71500 685.03523
3120.0000 -78.25624 -75.72310 2.53314 2.13034 -75.43247 701.57666
3125.0000 -78.25899 -75.57578 2.68321 2.11827 -75.55663 665.00461
3130.0000 -79.71390 -76.70023 3.01368 2.06708 -76.08327 629.90534
3135.0000 -79.15592 -76.66367 2.49225 2.00947 -76.67598 557.86668
3140.0000 -79.22727 -76.77773 2.44954 2.00134 -76.75964 560.51959
3145.0000 -78.00497 -74.69982 3.30516 2.10411 -75.70230 659.81682
3150.0000 -77.67395 -74.89832 2.77564 2.15598 -75.16869 720.75431
3155.0000 -79.11369 -76.32201 2.79167 2.14999 -75.23030 711.25551
3160.0000 -78.79144 -75.73787 3.05357 2.11002 -75.64149 690.39148
3165.0000 -79.10426 -76.17282 2.93144 2.05551 -76.20235 603.21310
3170.0000 -79.08985 -76.99714 2.09271 2.03165 -76.44781 632.20012
3175.0000 -79.11483 -76.60546 2.50937 1.96693 -77.11372 541.94013
3180.0000 -78.88504 -75.98135 2.90369 2.05519 -76.20564 643.27387
3185.0000 -78.61384 -75.57555 3.03829 2.10178 -75.72631 690.26341
3190.0000 -78.24293 -75.15949 3.08344 2.14314 -75.30075 719.54490
3195.0000 -78.69914 -75.44933 3.24981 2.12730 -75.46371 712.79057
3200.0000 -78.14545 -75.00191 3.14354 2.15959 -75.13155 743.43509
3205.0000 -78.36181 -75.21639 3.14543 2.18998 -74.81889 765.71237
3210.0000 -78.74808 -75.94483 2.80325 2.10590 -75.68389 686.40069
3215.0000 -80.02216 -77.19836 2.82380 2.04005 -76.36139 625.49624
3220.0000 -80.20046 -76.93983 3.26063 1.97126 -77.06908 588.80718
3225.0000 -79.28781 -76.54494 2.74287 2.02241 -76.54286 622.12138
3230.0000 -79.16847 -76.73552 2.43295 2.00718 -76.69961 623.01948
3235.0000 -79.75934 -76.80117 2.95817 1.99123 -76.86370 552.44107
3240.0000 -79.92172 -77.27659 2.64512 1.98365 -76.94170 571.82302
3245.0000 -79.24390 -76.09335 3.15056 2.02826 -76.48269 614.25086
3250.0000 -78.85350 -76.11602 2.73749 2.08932 -75.85450 680.02042
MELTING PROCESS: loop number 14 T-loop= 666.00000000000000
main_MD> interactions number 14 at Temperature= 666.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.07368 -0.10111 0.02578
force_rgl> df(natom) 1.53631 2.22025 -0.65659
3255.0000 -78.72306 -75.98190 2.74117 2.03438 -76.41970 622.38666
3260.0000 -78.34060 -76.07149 2.26911 2.05602 -76.19711 654.87857
3265.0000 -78.93393 -76.35364 2.58029 2.04452 -76.31541 624.32373
3270.0000 -78.78879 -76.12953 2.65927 2.03929 -76.36923 643.62911
3275.0000 -78.76389 -76.31689 2.44700 2.04500 -76.31045 626.81971
3280.0000 -78.44729 -75.60298 2.84431 2.04845 -76.27501 598.87452
3285.0000 -78.60315 -76.10948 2.49366 2.06281 -76.12728 649.36703
3290.0000 -78.22835 -75.36841 2.85994 2.09613 -75.78443 717.44253
3295.0000 -79.55501 -76.27648 3.27854 2.07088 -76.04418 657.03252
3300.0000 -79.33030 -76.23404 3.09626 2.03550 -76.40822 635.32034
3305.0000 -78.87435 -76.30667 2.56768 2.08507 -75.89820 676.40386
3310.0000 -79.81889 -76.81216 3.00673 2.00473 -76.72474 610.60699
3315.0000 -78.37773 -75.50722 2.87051 2.02613 -76.50458 613.37415
3320.0000 -78.84881 -75.92067 2.92814 2.05475 -76.21011 638.76420
3325.0000 -78.53158 -75.78125 2.75033 2.02769 -76.48856 626.92200
3330.0000 -79.49757 -76.63756 2.86001 2.08534 -75.89545 677.78777
3335.0000 -79.21533 -76.60049 2.61484 2.03466 -76.41683 668.23067
3340.0000 -79.10515 -76.40270 2.70245 2.05088 -76.25001 644.12201
3345.0000 -79.27288 -77.32572 1.94716 2.00035 -76.76989 562.60840
3350.0000 -79.19197 -76.55127 2.64070 1.96323 -77.15178 525.45185
3355.0000 -78.92507 -76.61497 2.31010 2.01569 -76.61204 613.30876
3360.0000 -78.52542 -76.37671 2.14871 2.05524 -76.20510 637.43891
3365.0000 -79.76323 -77.36394 2.39928 2.03192 -76.44505 609.17969
3370.0000 -79.36922 -76.77381 2.59541 1.99507 -76.82421 578.63349
3375.0000 -78.92869 -76.24534 2.68335 2.02811 -76.48426 597.76504
3380.0000 -78.80431 -76.10415 2.70016 2.06786 -76.07533 623.81644
3385.0000 -79.13199 -76.32599 2.80600 2.08287 -75.92083 672.02108
3390.0000 -79.08642 -76.95369 2.13273 2.03537 -76.40955 616.84321
3395.0000 -78.12005 -74.85653 3.26352 2.09078 -75.83947 647.07828
3400.0000 -77.89643 -74.98910 2.90734 2.16588 -75.06685 749.64976
3405.0000 -78.57094 -75.41375 3.15719 2.11766 -75.56290 730.24601
3410.0000 -78.35305 -75.33527 3.01778 2.16046 -75.12260 754.28607
3415.0000 -79.03284 -76.45517 2.57767 2.10182 -75.72591 681.93975
3420.0000 -79.29229 -76.38874 2.90355 1.99417 -76.83347 576.80742
3425.0000 -78.39253 -75.39966 2.99287 2.10016 -75.74299 673.68403
3430.0000 -78.31589 -75.14901 3.16687 2.17733 -74.94904 723.39867
3435.0000 -78.05349 -75.23681 2.81668 2.13492 -75.38536 691.80453
3440.0000 -78.29884 -75.72247 2.57637 2.10393 -75.70421 673.54818
3445.0000 -78.17577 -75.31215 2.86362 2.09319 -75.81469 670.91821
3450.0000 -78.15244 -75.26335 2.88908 2.15617 -75.16671 732.84399
3455.0000 -78.02988 -75.58543 2.44445 2.12133 -75.52515 671.67753
3460.0000 -78.65195 -75.06150 3.59046 2.14501 -75.28157 706.85419
3465.0000 -79.22063 -76.22742 2.99321 2.11432 -75.59729 702.81488
3470.0000 -78.39055 -75.96532 2.42523 2.04716 -76.28823 630.05374
3475.0000 -78.76190 -75.62754 3.13436 2.10645 -75.67821 690.72228
3480.0000 -78.42322 -75.56739 2.85583 2.12030 -75.53574 672.82972
3485.0000 -78.89210 -76.05401 2.83809 2.09453 -75.80091 652.54437
3490.0000 -79.25986 -76.42203 2.83784 2.05246 -76.23369 632.51877
3495.0000 -79.44765 -76.75861 2.68904 2.03082 -76.45637 618.40002
3500.0000 -78.42879 -75.06388 3.36491 2.06660 -76.08827 646.91897
MELTING PROCESS: loop number 15 T-loop= 691.00000000000000
main_MD> interactions number 15 at Temperature= 691.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.02520 0.43608 2.54766
force_rgl> df(natom) -1.77757 4.97794 1.21770
3505.0000 -78.27801 -74.85625 3.42176 2.14643 -75.26694 744.99306
3510.0000 -78.90262 -75.49523 3.40739 2.17537 -74.96920 774.81099
3515.0000 -79.59414 -76.32057 3.27357 2.06578 -76.09665 688.80602
3520.0000 -78.05266 -75.71096 2.34169 2.08065 -75.94373 669.59727
3525.0000 -79.16044 -76.36216 2.79828 2.08665 -75.88198 634.42262
3530.0000 -79.48252 -76.32118 3.16134 2.04619 -76.29826 639.08761
3535.0000 -79.09012 -75.81370 3.27642 2.10923 -75.64968 655.08820
3540.0000 -79.18999 -76.11145 3.07853 2.04081 -76.35354 632.25316
3545.0000 -78.79733 -74.93007 3.86727 2.08578 -75.89094 658.01489
3550.0000 -78.55934 -75.05571 3.50363 2.15941 -75.13344 723.19184
3555.0000 -79.04914 -75.55562 3.49352 2.13206 -75.41473 739.80930
3560.0000 -78.55892 -75.14643 3.41249 2.11191 -75.62212 683.15273
3565.0000 -78.22471 -75.50884 2.71587 2.15269 -75.20250 759.82762
3570.0000 -77.74422 -75.21236 2.53186 2.14514 -75.28018 757.22664
3575.0000 -78.14607 -75.29295 2.85312 2.12338 -75.50406 704.01456
3580.0000 -78.53453 -75.49923 3.03530 2.16681 -75.05722 731.68159
3585.0000 -78.77250 -75.24549 3.52701 2.15978 -75.12956 774.37940
3590.0000 -78.75781 -76.47901 2.27881 2.12839 -75.45256 706.81911
3595.0000 -78.33335 -74.77222 3.56113 2.14570 -75.27447 713.93128
3600.0000 -78.19366 -75.15930 3.03435 2.16009 -75.12635 751.72040
3605.0000 -78.46928 -75.10253 3.36675 2.21363 -74.57560 774.15133
3610.0000 -78.46285 -75.73227 2.73058 2.10317 -75.71204 717.56595
3615.0000 -78.31544 -75.71811 2.59733 2.09924 -75.75240 660.44686
3620.0000 -77.65780 -74.84771 2.81009 2.15473 -75.18152 711.71558
3625.0000 -78.34716 -75.40385 2.94330 2.20406 -74.67398 791.96373
3630.0000 -78.82762 -75.99148 2.83614 2.06880 -76.06561 674.15501
3635.0000 -78.62369 -75.60907 3.01462 2.12019 -75.53694 716.25497
3640.0000 -78.94664 -76.45787 2.48876 2.07315 -76.02086 646.24363
3645.0000 -79.21341 -76.12987 3.08354 2.05506 -76.20701 632.25525
3650.0000 -78.08868 -76.06319 2.02549 2.05657 -76.19146 653.25275
3655.0000 -78.19246 -75.39786 2.79460 2.10251 -75.71883 660.81316
3660.0000 -78.82586 -76.05324 2.77263 2.06617 -76.09265 653.70776
3665.0000 -78.12064 -75.71955 2.40109 2.15917 -75.13583 740.25894
3670.0000 -78.72486 -76.39564 2.32922 2.06428 -76.11216 620.63596
3675.0000 -78.56836 -76.42677 2.14159 2.06256 -76.12981 643.74025
3680.0000 -77.86290 -74.98182 2.88108 2.09177 -75.82932 666.05907
3685.0000 -78.14915 -74.98035 3.16880 2.19761 -74.74036 780.32805
3690.0000 -78.02019 -74.81800 3.20220 2.18844 -74.83469 756.08788
3695.0000 -78.28235 -75.33203 2.95031 2.18370 -74.88351 745.77740
3700.0000 -78.36868 -75.05933 3.30935 2.13339 -75.40104 720.21870
3705.0000 -78.37078 -75.80285 2.56793 2.13245 -75.41078 691.17697
3710.0000 -78.07384 -74.78775 3.28609 2.15988 -75.12859 717.98039
3715.0000 -78.52531 -75.70092 2.82440 2.20089 -74.70661 744.09856
3720.0000 -79.54150 -76.19064 3.35087 2.08037 -75.94654 685.84649
3725.0000 -78.96612 -76.02048 2.94564 2.03790 -76.38353 651.17175
3730.0000 -77.58361 -74.52300 3.06061 2.15359 -75.19322 716.34555
3735.0000 -77.74004 -74.07381 3.66623 2.23395 -74.36647 813.80125
3740.0000 -79.22803 -76.17700 3.05103 2.12482 -75.48927 689.45890
3745.0000 -78.73727 -75.63961 3.09766 2.07906 -75.96003 692.13203
3750.0000 -78.50556 -75.77578 2.72978 2.14213 -75.31118 712.60161
MELTING PROCESS: loop number 16 T-loop= 716.00000000000000
main_MD> interactions number 16 at Temperature= 716.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.00221 -1.53683 0.53017
force_rgl> df(natom) 0.55338 0.98717 -2.46556
3755.0000 -77.87844 -74.62592 3.25252 2.20083 -74.70722 752.91129
3760.0000 -78.24073 -74.77804 3.46269 2.22815 -74.42622 826.22142
3765.0000 -78.07904 -75.16391 2.91513 2.20375 -74.67718 773.44791
3770.0000 -78.48490 -75.68804 2.79685 2.10587 -75.68418 706.48723
3775.0000 -79.16777 -76.62581 2.54196 2.08700 -75.87840 665.33695
3780.0000 -78.90320 -75.59215 3.31106 2.09292 -75.81743 640.18392
3785.0000 -78.08395 -75.87189 2.21206 2.13173 -75.41818 688.03070
3790.0000 -77.70135 -75.04635 2.65500 2.13068 -75.42898 663.54406
3795.0000 -77.87810 -75.05828 2.81982 2.20793 -74.63424 742.36612
3800.0000 -79.22506 -76.04626 3.17880 2.07867 -75.96402 655.64324
3805.0000 -78.38701 -75.13519 3.25182 2.05490 -76.20862 652.91449
3810.0000 -77.92060 -74.42575 3.49486 2.18965 -74.82224 786.12406
3815.0000 -78.46805 -75.82147 2.64658 2.14662 -75.26493 702.00458
3820.0000 -78.97903 -76.49376 2.48527 2.05674 -76.18966 632.80442
3825.0000 -79.29293 -76.30798 2.98495 2.04459 -76.31469 598.95316
3830.0000 -78.48158 -75.43004 3.05154 2.09503 -75.79575 667.37873
3835.0000 -78.81193 -75.48448 3.32746 2.13642 -75.36995 737.92337
3840.0000 -78.10034 -74.99298 3.10736 2.17290 -74.99457 774.00266
3845.0000 -77.62090 -73.80126 3.81964 2.21181 -74.59432 796.28756
3850.0000 -78.78463 -74.74085 4.04377 2.28421 -73.84942 894.99033
3855.0000 -78.67650 -75.95930 2.71720 2.12960 -75.44010 727.20122
3860.0000 -79.08182 -76.51019 2.57163 2.06711 -76.08305 636.64928
3865.0000 -78.98301 -75.66585 3.31716 2.07912 -75.95949 647.29200
3870.0000 -79.14500 -76.27947 2.86553 2.08099 -75.94017 660.71208
3875.0000 -78.35926 -76.41546 1.94380 2.05018 -76.25721 684.26516
3880.0000 -78.84798 -76.05349 2.79449 2.07020 -76.05120 642.94512
3885.0000 -78.34988 -75.15575 3.19413 2.10141 -75.73015 730.07629
3890.0000 -78.67014 -75.07879 3.59135 2.16788 -75.04621 744.32625
3895.0000 -78.25120 -75.12642 3.12479 2.17729 -74.94943 734.92474
3900.0000 -78.95417 -74.88844 4.06574 2.18018 -74.91971 741.57124
3905.0000 -78.58900 -75.16093 3.42807 2.14514 -75.28021 718.80519
3910.0000 -78.21976 -75.73432 2.48544 2.12993 -75.43666 688.74838
3915.0000 -78.05584 -75.09423 2.96161 2.12626 -75.47442 722.03561
3920.0000 -78.48360 -75.39251 3.09109 2.12271 -75.51097 683.70193
3925.0000 -77.90767 -75.01324 2.89443 2.17824 -74.93964 770.65028
3930.0000 -77.80306 -75.03767 2.76539 2.15765 -75.15155 737.94485
3935.0000 -78.07414 -75.05424 3.01990 2.17333 -74.99020 720.37249
3940.0000 -78.09766 -74.26890 3.82877 2.20346 -74.68016 780.50598
3945.0000 -77.18652 -74.30518 2.88133 2.19942 -74.72177 731.56316
3950.0000 -78.16407 -75.59835 2.56572 2.19268 -74.79110 751.84668
3955.0000 -77.76942 -74.53084 3.23858 2.17702 -74.95221 715.27374
3960.0000 -77.59669 -74.25884 3.33785 2.22260 -74.48325 803.25306
3965.0000 -78.95863 -75.13927 3.81936 2.25622 -74.13739 813.47125
3970.0000 -78.83401 -75.88982 2.94419 2.10868 -75.65531 674.85828
3975.0000 -78.57329 -75.63627 2.93702 2.04748 -76.28495 590.61699
3980.0000 -78.93031 -75.77319 3.15711 2.13252 -75.41001 718.36123
3985.0000 -79.13121 -75.41394 3.71726 2.05528 -76.20473 648.23214
3990.0000 -77.98652 -75.08515 2.90137 2.15821 -75.14572 734.31177
3995.0000 -78.82796 -76.19435 2.63360 2.11371 -75.60361 633.07643
4000.0000 -77.99908 -75.28142 2.71766 2.12737 -75.46300 696.96249
MELTING PROCESS: loop number 17 T-loop= 741.00000000000000
main_MD> interactions number 17 at Temperature= 741.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.06670 0.84834 0.11011
force_rgl> df(natom) -1.34296 -0.99131 -1.45401
4005.0000 -78.43016 -75.80752 2.62263 2.15985 -75.12891 758.13598
4010.0000 -79.02521 -75.32771 3.69749 2.10458 -75.69754 693.92696
4015.0000 -78.88434 -75.64642 3.23793 2.11203 -75.62081 677.97078
4020.0000 -78.96567 -75.99434 2.97133 2.10057 -75.73875 685.20629
4025.0000 -78.82601 -75.42286 3.40315 2.15003 -75.22992 751.88330
4030.0000 -77.49880 -73.88472 3.61408 2.16834 -75.04150 748.92705
4035.0000 -76.78794 -73.57845 3.20949 2.29638 -73.72424 817.40595
4040.0000 -77.46950 -74.23298 3.23652 2.27135 -73.98173 797.70933
4045.0000 -78.63268 -74.75599 3.87669 2.25965 -74.10206 790.37055
4050.0000 -77.84723 -74.88397 2.96326 2.13781 -75.35558 733.22041
4055.0000 -77.75263 -74.89332 2.85931 2.21534 -74.55796 780.62401
4060.0000 -78.58731 -74.77968 3.80763 2.15811 -75.14675 719.63340
4065.0000 -77.71755 -73.90388 3.81368 2.20410 -74.67358 758.58697
4070.0000 -77.44954 -74.63839 2.81115 2.23533 -74.35227 821.04307
4075.0000 -79.19768 -75.82113 3.37655 2.08493 -75.89970 665.68990
4080.0000 -78.38783 -75.48326 2.90457 2.08361 -75.91328 698.82864
4085.0000 -77.76129 -74.78329 2.97800 2.16094 -75.11769 748.20502
4090.0000 -78.15094 -75.63089 2.52004 2.15012 -75.22897 698.20538
4095.0000 -77.13846 -74.59308 2.54538 2.16248 -75.10181 697.66042
4100.0000 -77.91705 -74.64525 3.27180 2.24087 -74.29531 781.99680
4105.0000 -79.00192 -75.15896 3.84296 2.18828 -74.83632 789.13794
4110.0000 -78.30149 -74.71795 3.58354 2.16412 -75.08498 762.64773
4115.0000 -78.29300 -75.28535 3.00764 2.19923 -74.72374 750.56727
4120.0000 -77.55108 -74.71800 2.83308 2.18198 -74.90114 736.54639
4125.0000 -77.80834 -74.03466 3.77368 2.18134 -74.90773 730.51772
4130.0000 -78.12497 -74.82888 3.29608 2.26176 -74.08041 825.17683
4135.0000 -78.32184 -74.91211 3.40973 2.19295 -74.78836 742.19291
4140.0000 -78.52797 -75.19731 3.33066 2.15773 -75.15065 705.03453
4145.0000 -78.69718 -76.23476 2.46242 2.13082 -75.42757 727.61984
4150.0000 -78.80736 -76.07141 2.73594 2.04992 -76.25981 646.63279
4155.0000 -77.67303 -73.96774 3.70530 2.20079 -74.70768 753.96760
4160.0000 -79.06879 -76.08233 2.98645 2.13839 -75.34963 726.47563
4165.0000 -78.57010 -74.07771 4.49240 2.11126 -75.62875 712.06800
4170.0000 -78.62223 -75.52879 3.09344 2.20718 -74.64192 760.11279
4175.0000 -77.88665 -75.41570 2.47095 2.12036 -75.53512 660.34185
4180.0000 -77.87534 -74.31814 3.55720 2.15353 -75.19393 752.42886
4185.0000 -78.06480 -75.10141 2.96339 2.20507 -74.66365 725.63545
4190.0000 -78.66900 -75.36507 3.30393 2.17701 -74.95228 733.18662
4195.0000 -77.82205 -74.88940 2.93266 2.21849 -74.52559 760.56652
4200.0000 -78.84079 -74.62495 4.21584 2.22157 -74.49386 741.49691
4205.0000 -78.90284 -75.68899 3.21385 2.15538 -75.17490 732.31298
4210.0000 -77.57303 -74.32033 3.25270 2.18015 -74.92001 752.49441
4215.0000 -77.58808 -74.63621 2.95187 2.21806 -74.53000 745.62412
4220.0000 -78.89281 -76.24713 2.64568 2.09673 -75.77825 666.50654
4225.0000 -77.71287 -74.62733 3.08555 2.11854 -75.55387 679.90873
4230.0000 -77.35891 -73.98457 3.37434 2.17957 -74.92600 746.37191
4235.0000 -77.54082 -73.53176 4.00906 2.29023 -73.78745 817.87878
4240.0000 -78.05801 -73.98052 4.07749 2.27392 -73.95525 814.73924
4245.0000 -77.54926 -74.56593 2.98333 2.24079 -74.29612 768.89987
4250.0000 -77.25153 -73.68716 3.56437 2.26611 -74.03559 824.06344
MELTING PROCESS: loop number 18 T-loop= 766.00000000000000
main_MD> interactions number 18 at Temperature= 766.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.09228 0.31306 -3.18048
force_rgl> df(natom) -1.29711 0.98837 0.93382
4255.0000 -77.86574 -74.74263 3.12311 2.22204 -74.48905 761.86560
4260.0000 -77.91364 -74.60122 3.31242 2.18028 -74.91868 767.49964
4265.0000 -78.04132 -74.35809 3.68324 2.18364 -74.88415 769.88475
4270.0000 -77.34098 -73.92524 3.41574 2.20206 -74.69463 755.50246
4275.0000 -78.79993 -74.93902 3.86091 2.25184 -74.18246 803.23984
4280.0000 -78.34196 -75.20193 3.14003 2.14691 -75.26199 744.75723
4285.0000 -77.86544 -74.98816 2.87728 2.18457 -74.87453 766.31497
4290.0000 -78.88108 -76.03415 2.84693 2.12331 -75.50484 678.96254
4295.0000 -78.71550 -75.88415 2.83135 2.06555 -76.09905 621.76082
4300.0000 -77.96787 -75.60492 2.36295 2.09790 -75.76627 634.65541
4305.0000 -77.76831 -74.17985 3.58846 2.16882 -75.03662 721.84123
4310.0000 -76.90799 -73.43370 3.47429 2.27055 -73.98992 813.56933
4315.0000 -77.71200 -74.44279 3.26921 2.26011 -74.09737 832.23185
4320.0000 -78.15266 -74.87167 3.28099 2.16753 -75.04990 707.58076
4325.0000 -77.66672 -74.72520 2.94152 2.20433 -74.67122 738.44578
4330.0000 -78.15805 -74.36055 3.79751 2.25320 -74.16846 793.49197
4335.0000 -78.28030 -75.13059 3.14971 2.20181 -74.69712 772.41181
4340.0000 -78.54882 -75.01433 3.53449 2.19262 -74.79171 775.43766
4345.0000 -77.93782 -74.20608 3.73174 2.22173 -74.49222 785.86326
4350.0000 -77.70755 -74.91147 2.79608 2.19245 -74.79344 777.40526
4355.0000 -78.00350 -74.42259 3.58091 2.20059 -74.70973 738.95059
4360.0000 -78.40953 -75.98027 2.42926 2.20094 -74.70616 775.86784
4365.0000 -78.24332 -73.75424 4.48908 2.15330 -75.19631 728.01158
4370.0000 -77.59591 -75.21592 2.37999 2.18357 -74.88485 758.36287
4375.0000 -78.39964 -75.93244 2.46720 2.09924 -75.75243 663.92024
4380.0000 -78.21322 -76.05276 2.16046 2.05374 -76.22057 616.77555
4385.0000 -78.40981 -74.90274 3.50707 2.09025 -75.84492 690.45904
4390.0000 -78.25313 -75.84352 2.40961 2.16542 -75.07152 745.26444
4395.0000 -79.07950 -75.41573 3.66377 2.13767 -75.35711 703.09399
4400.0000 -78.03531 -74.77400 3.26131 2.16130 -75.11400 742.78336
4405.0000 -78.52142 -75.20059 3.32082 2.14347 -75.29743 721.59342
4410.0000 -76.97638 -74.01948 2.95690 2.19389 -74.77865 776.83643
4415.0000 -78.36488 -74.69613 3.66876 2.23088 -74.39812 811.02447
4420.0000 -79.00867 -75.46703 3.54164 2.15271 -75.20232 746.94786
4425.0000 -77.74155 -74.51880 3.22276 2.11335 -75.60724 652.88219
4430.0000 -77.58772 -74.68550 2.90222 2.20478 -74.66666 808.13807
4435.0000 -77.79646 -74.53420 3.26226 2.16235 -75.10310 760.09371
4440.0000 -79.04148 -75.08229 3.95920 2.17315 -74.99200 779.13195
4445.0000 -77.56637 -74.41417 3.15220 2.16904 -75.03432 750.09831
4450.0000 -77.81793 -74.57474 3.24319 2.23781 -74.32679 836.50353
4455.0000 -78.52138 -75.40786 3.11352 2.16110 -75.11601 754.27199
4460.0000 -78.14102 -75.36492 2.77611 2.10676 -75.67504 679.62841
4465.0000 -77.69399 -74.43340 3.26058 2.21319 -74.58004 780.92413
4470.0000 -79.28051 -74.97561 4.30490 2.16548 -75.07098 734.04403
4475.0000 -78.54464 -75.30805 3.23659 2.15037 -75.22636 735.39278
4480.0000 -77.98875 -73.70033 4.28842 2.21727 -74.53811 828.08121
4485.0000 -78.25700 -74.93508 3.32192 2.25206 -74.18023 814.19718
4490.0000 -78.02423 -74.89579 3.12844 2.17667 -74.95579 738.37013
4495.0000 -78.22935 -75.16471 3.06464 2.20732 -74.64050 783.13299
4500.0000 -76.78302 -72.98462 3.79840 2.31674 -73.51476 872.09269
MELTING PROCESS: loop number 19 T-loop= 791.00000000000000
main_MD> interactions number 19 at Temperature= 791.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.11024 -2.40922 0.43066
force_rgl> df(natom) -2.09323 4.73697 2.01704
4505.0000 -77.21889 -73.14856 4.07033 2.35506 -73.12047 915.01884
4510.0000 -76.56851 -72.82344 3.74507 2.33163 -73.36157 888.32346
4515.0000 -77.52862 -73.14925 4.37937 2.36823 -72.98500 933.34805
4520.0000 -78.18084 -74.68288 3.49796 2.27585 -73.93539 812.18305
4525.0000 -77.34859 -73.51863 3.82996 2.25392 -74.16106 853.97902
4530.0000 -76.87020 -73.80575 3.06445 2.22505 -74.45803 735.75099
4535.0000 -77.37293 -73.79456 3.57837 2.24638 -74.23860 754.82952
4540.0000 -77.47042 -73.42496 4.04545 2.29429 -73.74571 832.07205
4545.0000 -77.78755 -73.17117 4.61638 2.35718 -73.09868 931.84246
4550.0000 -77.63127 -74.49577 3.13549 2.27784 -73.91495 823.08760
4555.0000 -77.41924 -74.50263 2.91662 2.23590 -74.34642 786.16302
4560.0000 -78.40304 -74.50654 3.89650 2.25502 -74.14971 832.16022
4565.0000 -77.43648 -74.05035 3.38613 2.20741 -74.63958 762.16151
4570.0000 -77.82289 -74.60460 3.21829 2.19096 -74.80884 789.69197
4575.0000 -77.58552 -74.19774 3.38778 2.24400 -74.26315 805.49572
4580.0000 -77.84489 -75.06568 2.77920 2.23808 -74.32401 816.21369
4585.0000 -78.09117 -74.91463 3.17654 2.21208 -74.59148 760.81322
4590.0000 -77.64283 -74.75044 2.89239 2.17802 -74.94196 765.10679
4595.0000 -77.54026 -73.78733 3.75293 2.26007 -74.09779 832.22569
4600.0000 -77.70575 -73.64867 4.05708 2.31305 -73.55274 874.11331
4605.0000 -77.17797 -73.17535 4.00262 2.37343 -72.93151 930.76856
4610.0000 -77.59231 -74.52622 3.06609 2.24719 -74.23031 815.96803
4615.0000 -77.20731 -73.69583 3.51148 2.25295 -74.17104 809.37293
4620.0000 -76.75463 -73.31453 3.44009 2.28985 -73.79144 828.91270
4625.0000 -78.37951 -75.10309 3.27642 2.19913 -74.72474 751.22647
4630.0000 -78.31671 -75.45502 2.86169 2.09844 -75.76062 695.39897
4635.0000 -78.78067 -75.40302 3.37765 2.11540 -75.58621 710.15046
4640.0000 -77.73762 -74.98521 2.75242 2.15165 -75.21320 736.71813
4645.0000 -78.43350 -75.33815 3.09535 2.15968 -75.13060 730.44062
4650.0000 -78.45892 -74.77003 3.68889 2.20026 -74.71317 743.79697
4655.0000 -76.29520 -72.86586 3.42934 2.28656 -73.82526 832.65801
4660.0000 -77.37028 -73.85911 3.51118 2.33603 -73.31625 872.77088
4665.0000 -77.87188 -74.12294 3.74893 2.22695 -74.43857 785.17135
4670.0000 -78.19868 -75.30290 2.89578 2.18511 -74.86902 742.70671
4675.0000 -78.19599 -75.11973 3.07625 2.14562 -75.27523 718.42445
4680.0000 -77.12022 -74.47952 2.64070 2.16552 -75.07052 703.19369
4685.0000 -77.28710 -73.76436 3.52274 2.28985 -73.79143 837.05617
4690.0000 -78.12360 -74.36973 3.75387 2.27000 -73.99566 838.06931
4695.0000 -78.47134 -75.45430 3.01703 2.19442 -74.77319 743.33146
4700.0000 -77.63737 -74.86096 2.77641 2.16932 -75.03148 707.16045
4705.0000 -78.72748 -74.86287 3.86461 2.14217 -75.31074 712.29831
4710.0000 -77.91254 -75.29101 2.62153 2.12414 -75.49621 695.18109
4715.0000 -78.70044 -75.31673 3.38371 2.13952 -75.33803 722.14948
4720.0000 -79.17151 -75.54845 3.62306 2.08196 -75.93026 697.66059
4725.0000 -77.57502 -74.55127 3.02375 2.16798 -75.04519 722.91848
4730.0000 -77.84306 -74.62158 3.22147 2.19538 -74.76330 743.28166
4735.0000 -78.22615 -74.88023 3.34592 2.25060 -74.19524 844.97814
4740.0000 -78.58222 -75.55076 3.03146 2.16116 -75.11539 728.70465
4745.0000 -78.23242 -75.70944 2.52299 2.08014 -75.94896 655.16724
4750.0000 -78.07753 -74.47819 3.59934 2.18018 -74.91969 812.18176
MELTING PROCESS: loop number 20 T-loop= 816.00000000000000
main_MD> interactions number 20 at Temperature= 816.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.23571 7.36082 -1.65675
force_rgl> df(natom) 3.08917 -1.00257 -0.26267
4755.0000 -78.35411 -75.65555 2.69856 2.16529 -75.07286 751.62904
4760.0000 -78.46043 -75.34917 3.11126 2.11797 -75.55970 708.67072
4765.0000 -77.04751 -74.25113 2.79638 2.15286 -75.20080 686.96358
4770.0000 -77.55253 -73.36610 4.18642 2.32992 -73.37914 869.97572
4775.0000 -78.74433 -74.79560 3.94874 2.26474 -74.04974 838.37390
4780.0000 -78.70543 -74.25221 4.45321 2.21042 -74.60859 767.18640
4785.0000 -78.39059 -75.05107 3.33951 2.24417 -74.26139 813.66286
4790.0000 -78.01489 -74.93571 3.07919 2.20698 -74.64393 779.76320
4795.0000 -76.33005 -73.08068 3.24937 2.25970 -74.10157 837.33904
4800.0000 -77.78302 -73.99809 3.78493 2.40019 -72.65623 924.58554
4805.0000 -77.61020 -74.52810 3.08210 2.20251 -74.68998 770.91945
4810.0000 -78.14763 -75.21995 2.92768 2.14989 -75.23136 721.01862
4815.0000 -78.26121 -74.91223 3.34898 2.17962 -74.92543 798.76687
4820.0000 -77.05059 -73.61123 3.43937 2.23211 -74.38547 791.65414
4825.0000 -78.11482 -74.31863 3.79618 2.39043 -72.75657 939.42125
4830.0000 -76.84485 -72.01566 4.82919 2.31950 -73.48637 869.62484
4835.0000 -75.64091 -71.88110 3.75981 2.43037 -72.34571 964.02111
4840.0000 -76.96381 -72.78131 4.18249 2.39638 -72.69538 954.46044
4845.0000 -78.18621 -74.31160 3.87461 2.33622 -73.31430 897.62727
4850.0000 -77.62687 -74.21640 3.41047 2.24716 -74.23062 762.53712
4855.0000 -77.42595 -74.65642 2.76953 2.22009 -74.50914 732.58149
4860.0000 -78.05742 -74.59602 3.46140 2.24531 -74.24962 774.73883
4865.0000 -78.05571 -75.63075 2.42496 2.16777 -75.04733 750.88055
4870.0000 -78.71994 -75.39463 3.32531 2.12160 -75.52243 739.41656
4875.0000 -77.50548 -74.35378 3.15171 2.16336 -75.09273 735.10924
4880.0000 -78.35735 -75.22784 3.12951 2.17548 -74.96804 752.35239
4885.0000 -76.90211 -72.86316 4.03895 2.28592 -73.83185 829.89485
4890.0000 -77.21178 -73.14368 4.06810 2.39721 -72.68687 934.82653
4895.0000 -77.06305 -74.36652 2.69652 2.28159 -73.87636 805.32270
4900.0000 -77.70105 -73.10807 4.59297 2.24978 -74.20365 795.23524
4905.0000 -77.11961 -73.37158 3.74804 2.32341 -73.44612 863.57477
4910.0000 -77.00303 -73.14332 3.85972 2.28815 -73.80893 844.06457
4915.0000 -77.66931 -73.54281 4.12650 2.36663 -73.00149 918.93479
4920.0000 -78.41584 -74.95116 3.46468 2.24590 -74.24355 809.39197
4925.0000 -78.53089 -75.52253 3.00836 2.13202 -75.41516 704.68591
4930.0000 -78.22131 -75.10707 3.11424 2.14325 -75.29962 741.25457
4935.0000 -78.01585 -74.47140 3.54445 2.19080 -74.81049 789.79871
4940.0000 -77.97924 -74.92920 3.05004 2.22354 -74.47359 794.99828
4945.0000 -77.19592 -73.41575 3.78017 2.26577 -74.03917 816.67755
4950.0000 -76.67405 -73.12961 3.54445 2.35645 -73.10622 882.25815
4955.0000 -76.37648 -72.42593 3.95055 2.42010 -72.45134 959.34604
4960.0000 -77.77401 -74.19086 3.58315 2.34977 -73.17490 906.12608
4965.0000 -77.82027 -73.92762 3.89265 2.22399 -74.46897 766.53136
4970.0000 -76.78511 -72.20158 4.58353 2.39584 -72.70094 951.94596
4975.0000 -77.30438 -72.73166 4.57271 2.41199 -72.53483 981.54853
4980.0000 -76.96707 -73.57151 3.39556 2.33149 -73.36294 838.11610
4985.0000 -76.76310 -72.73524 4.02785 2.33768 -73.29929 914.09564
4990.0000 -76.94354 -73.29292 3.65062 2.31353 -73.54779 868.11629
4995.0000 -78.56875 -74.30829 4.26046 2.26904 -74.00552 828.87476
5000.0000 -77.06502 -73.47969 3.58533 2.24863 -74.21549 804.04101
MELTING PROCESS: loop number 21 T-loop= 841.00000000000000
main_MD> interactions number 21 at Temperature= 841.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33966 -3.44521 0.21899
force_rgl> df(natom) -5.26520 -0.18049 -3.27873
5005.0000 -77.81041 -74.60698 3.20343 2.28630 -73.82790 870.54214
5010.0000 -77.26748 -73.52225 3.74522 2.21216 -74.59065 760.60613
5015.0000 -78.21399 -73.68054 4.53345 2.32810 -73.39783 886.16172
5020.0000 -77.07568 -73.10581 3.96986 2.31845 -73.49715 868.07773
5025.0000 -76.58846 -73.23377 3.35469 2.37297 -72.93626 885.78302
5030.0000 -77.05938 -74.29320 2.76618 2.27209 -73.97413 840.55261
5035.0000 -76.49936 -73.21181 3.28754 2.28951 -73.79493 898.48069
5040.0000 -77.99795 -74.32437 3.67358 2.30644 -73.62075 872.21047
5045.0000 -78.51075 -74.44406 4.06669 2.25833 -74.11567 810.28874
5050.0000 -78.07699 -74.52032 3.55667 2.27211 -73.97388 819.35291
5055.0000 -77.33254 -73.58935 3.74319 2.25927 -74.10605 800.14191
5060.0000 -77.69370 -73.95560 3.73810 2.25589 -74.14074 800.55141
5065.0000 -77.92330 -75.33136 2.59194 2.25212 -74.17953 802.73631
5070.0000 -77.25057 -74.85055 2.40002 2.17276 -74.99606 728.24637
5075.0000 -78.29092 -74.27252 4.01841 2.19336 -74.78411 763.39463
5080.0000 -77.61721 -73.38525 4.23195 2.35411 -73.13025 926.03023
5085.0000 -78.24402 -74.17076 4.07327 2.32128 -73.46805 915.71150
5090.0000 -77.06234 -73.51989 3.54246 2.30334 -73.65261 892.74632
5095.0000 -76.30640 -73.16383 3.14257 2.40088 -72.64909 927.22007
5100.0000 -76.82577 -72.47188 4.35389 2.37515 -72.91379 902.17045
5105.0000 -77.13072 -74.22773 2.90299 2.31945 -73.48690 844.01102
5110.0000 -77.16982 -73.27420 3.89562 2.33175 -73.36036 845.10681
5115.0000 -77.89815 -74.61321 3.28495 2.31104 -73.57342 866.64451
5120.0000 -78.37186 -74.68471 3.68716 2.19275 -74.79038 770.27943
5125.0000 -77.57137 -74.56740 3.00396 2.22043 -74.50555 798.14858
5130.0000 -78.50252 -75.11211 3.39040 2.24562 -74.24644 853.57520
5135.0000 -78.86075 -75.39784 3.46291 2.18708 -74.84873 777.73069
5140.0000 -77.78851 -74.40790 3.38061 2.21516 -74.55978 775.23652
5145.0000 -77.02461 -73.95707 3.06753 2.22269 -74.48238 788.30037
5150.0000 -77.58826 -74.18907 3.39919 2.25148 -74.18617 832.17128
5155.0000 -76.93828 -72.95787 3.98040 2.29601 -73.72803 879.82737
5160.0000 -77.65206 -74.49435 3.15772 2.27555 -73.93854 818.57358
5165.0000 -78.17422 -74.64280 3.53142 2.22250 -74.48431 731.40137
5170.0000 -78.52442 -74.49392 4.03051 2.22784 -74.42940 796.40298
5175.0000 -78.38018 -74.85797 3.52220 2.25380 -74.16233 829.35705
5180.0000 -78.34506 -74.80920 3.53586 2.16984 -75.02609 721.50115
5185.0000 -77.69075 -74.28429 3.40646 2.27683 -73.92537 831.79250
5190.0000 -78.48368 -75.29393 3.18975 2.22192 -74.49027 751.63605
5195.0000 -77.13651 -73.85131 3.28520 2.20636 -74.65034 767.63992
5200.0000 -77.28191 -74.10519 3.17672 2.28625 -73.82840 824.55635
5205.0000 -76.35376 -73.76879 2.58497 2.28340 -73.85776 810.02228
5210.0000 -77.41980 -74.00346 3.41634 2.29064 -73.78331 843.22325
5215.0000 -77.43734 -73.84051 3.59683 2.28808 -73.80957 855.47694
5220.0000 -77.76366 -73.21758 4.54609 2.38043 -72.85946 938.11170
5225.0000 -78.11635 -74.33609 3.78026 2.28243 -73.86768 806.15484
5230.0000 -76.04265 -72.71675 3.32590 2.31784 -73.50345 848.83878
5235.0000 -76.19730 -72.45116 3.74613 2.33683 -73.30805 870.13113
5240.0000 -77.47229 -72.74806 4.72423 2.36079 -73.06151 900.83932
5245.0000 -77.18035 -73.86090 3.31945 2.32209 -73.45971 893.42645
5250.0000 -77.19863 -73.24793 3.95070 2.34214 -73.25339 892.50708
MELTING PROCESS: loop number 22 T-loop= 866.00000000000000
main_MD> interactions number 22 at Temperature= 866.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10393 -1.55224 -0.64796
force_rgl> df(natom) 0.77474 1.61185 1.71269
5255.0000 -76.07696 -72.70550 3.37146 2.35742 -73.09622 864.21772
5260.0000 -76.16147 -72.45485 3.70662 2.39725 -72.68642 907.29851
5265.0000 -76.51310 -72.84066 3.67244 2.40089 -72.64893 896.84061
5270.0000 -77.24450 -72.94766 4.29684 2.35394 -73.13203 904.10839
5275.0000 -76.66388 -72.88668 3.77720 2.35493 -73.12181 930.57948
5280.0000 -77.43640 -73.86671 3.56969 2.32853 -73.39349 895.00530
5285.0000 -77.25651 -73.00371 4.25280 2.30368 -73.64906 838.42269
5290.0000 -77.17469 -73.75607 3.41862 2.36581 -73.00987 899.17268
5295.0000 -77.20237 -73.75381 3.44855 2.26292 -74.06847 825.73475
5300.0000 -77.35339 -73.89690 3.45650 2.34725 -73.20088 925.66284
5305.0000 -77.44925 -74.21196 3.23729 2.26246 -74.07322 818.86017
5310.0000 -78.02700 -75.44000 2.58699 2.20615 -74.65252 772.31492
5315.0000 -78.49032 -75.14955 3.34077 2.10301 -75.71368 702.41488
5320.0000 -76.58512 -73.18627 3.39885 2.18949 -74.82389 808.66509
5325.0000 -77.06584 -73.73615 3.32969 2.35835 -73.08667 908.93361
5330.0000 -76.21906 -72.59345 3.62561 2.41353 -72.51890 964.66159
5335.0000 -76.58523 -73.12451 3.46072 2.39256 -72.73471 902.91243
5340.0000 -77.19305 -73.71142 3.48163 2.36909 -72.97610 922.06370
5345.0000 -77.09609 -73.78440 3.31169 2.28674 -73.82341 859.76990
5350.0000 -77.10604 -73.56314 3.54290 2.31231 -73.56029 860.89774
5355.0000 -76.90723 -73.84707 3.06016 2.36806 -72.98677 921.46747
5360.0000 -76.94188 -73.36521 3.57666 2.33104 -73.36757 823.07555
5365.0000 -77.85731 -73.52015 4.33716 2.35433 -73.12800 923.40342
5370.0000 -76.39742 -72.41010 3.98733 2.35293 -73.14243 885.94491
5375.0000 -77.05698 -73.29194 3.76504 2.37307 -72.93516 917.88705
5380.0000 -77.96365 -74.40568 3.55796 2.30543 -73.63107 876.22861
5385.0000 -77.07216 -73.13122 3.94094 2.30512 -73.63433 865.41779
5390.0000 -77.61980 -73.11019 4.50961 2.34024 -73.27297 899.10707
5395.0000 -76.85132 -73.39973 3.45159 2.33962 -73.27935 899.92319
5400.0000 -77.07028 -72.59613 4.47415 2.37014 -72.96533 900.60638
5405.0000 -76.59401 -73.46548 3.12853 2.46097 -72.03086 1012.26997
5410.0000 -76.94476 -73.13873 3.80603 2.39344 -72.72563 940.46149
5415.0000 -78.27762 -75.12071 3.15691 2.28878 -73.80241 868.99420
5420.0000 -77.51914 -74.64574 2.87341 2.18033 -74.91814 733.19593
5425.0000 -77.54587 -74.48481 3.06105 2.18404 -74.87996 780.73419
5430.0000 -77.03519 -73.25908 3.77611 2.27864 -73.90676 814.22814
5435.0000 -77.50543 -73.82934 3.67609 2.30564 -73.62892 870.92226
5440.0000 -77.95867 -74.04144 3.91724 2.21520 -74.55944 825.95868
5445.0000 -77.48145 -74.91892 2.56254 2.20712 -74.64259 802.87216
5450.0000 -77.07195 -73.11211 3.95984 2.31117 -73.57202 877.78224
5455.0000 -77.73804 -74.23139 3.50666 2.36594 -73.00857 899.18535
5460.0000 -77.16459 -73.72224 3.44235 2.26553 -74.04157 837.91414
5465.0000 -77.87121 -74.68447 3.18674 2.24596 -74.24296 789.91454
5470.0000 -76.69911 -73.46397 3.23514 2.25799 -74.11918 824.55248
5475.0000 -77.74553 -73.74904 3.99649 2.30759 -73.60887 858.45626
5480.0000 -77.40429 -73.69000 3.71429 2.29934 -73.69379 825.14395
5485.0000 -78.02648 -74.06832 3.95816 2.33069 -73.37117 855.64994
5490.0000 -76.68845 -73.32634 3.36211 2.27677 -73.92593 788.85494
5495.0000 -77.14943 -73.64012 3.50930 2.30512 -73.63428 827.85592
5500.0000 -76.36060 -73.06060 3.30000 2.28244 -73.86767 796.27085
MELTING PROCESS: loop number 23 T-loop= 891.00000000000000
main_MD> interactions number 23 at Temperature= 891.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.38182 0.86639 -0.50709
force_rgl> df(natom) -2.00517 0.57637 -3.93547
5505.0000 -76.08436 -72.12673 3.95763 2.44110 -72.23525 936.83790
5510.0000 -77.62926 -72.99525 4.63400 2.41474 -72.50649 933.21592
5515.0000 -78.06876 -74.60034 3.46842 2.33311 -73.34632 896.87208
5520.0000 -77.85406 -74.20450 3.64956 2.22008 -74.50923 778.28870
5525.0000 -77.43620 -73.55174 3.88447 2.28278 -73.86417 857.31363
5530.0000 -76.48963 -73.09628 3.39335 2.30432 -73.64248 859.44089
5535.0000 -76.87858 -73.46803 3.41055 2.31817 -73.50003 862.56036
5540.0000 -76.83655 -73.54523 3.29133 2.30502 -73.63533 860.63134
5545.0000 -76.68558 -72.96824 3.71734 2.37235 -72.94265 899.87025
5550.0000 -77.44971 -74.15581 3.29390 2.30619 -73.62330 866.36537
5555.0000 -77.02205 -74.13183 2.89022 2.26534 -74.04351 833.23831
5560.0000 -77.85219 -73.82066 4.03153 2.32230 -73.45755 886.55502
5565.0000 -77.34342 -73.32747 4.01595 2.33488 -73.32807 855.71218
5570.0000 -77.07620 -73.10340 3.97280 2.32746 -73.40445 850.46774
5575.0000 -77.44411 -73.48329 3.96081 2.35236 -73.14828 921.56851
5580.0000 -76.69138 -72.49400 4.19738 2.36944 -72.97258 897.13247
5585.0000 -76.82216 -71.81817 5.00399 2.50660 -71.56137 1042.67983
5590.0000 -75.74049 -70.79938 4.94111 2.51312 -71.49435 1063.06314
5595.0000 -76.33580 -72.18907 4.14674 2.50759 -71.55126 1020.61853
5600.0000 -76.59769 -72.25619 4.34150 2.45982 -72.04271 934.00807
5605.0000 -77.15295 -73.10649 4.04646 2.40375 -72.61955 942.08067
5610.0000 -76.46715 -73.33561 3.13153 2.34478 -73.22623 899.03200
5615.0000 -77.44198 -72.61476 4.82722 2.35574 -73.11347 881.75294
5620.0000 -77.40018 -73.63790 3.76228 2.38486 -72.81391 946.47918
5625.0000 -77.52889 -74.45855 3.07034 2.28989 -73.79097 851.99336
5630.0000 -76.11507 -72.68644 3.42864 2.31819 -73.49978 880.16179
5635.0000 -76.22033 -72.19623 4.02410 2.34681 -73.20533 873.60495
5640.0000 -76.18976 -71.86104 4.32872 2.45243 -72.11872 1003.50880
5645.0000 -76.06515 -71.82419 4.24096 2.42811 -72.36896 942.91687
5650.0000 -75.38153 -71.39832 3.98321 2.50888 -71.53797 985.75714
5655.0000 -75.88903 -73.08263 2.80640 2.42375 -72.41380 979.89464
5660.0000 -77.86323 -74.63425 3.22897 2.27522 -73.94191 834.16409
5665.0000 -77.88882 -74.45851 3.43031 2.17478 -74.97521 729.88298
5670.0000 -78.44974 -75.19127 3.25847 2.22023 -74.50764 793.82688
5675.0000 -77.81538 -73.49461 4.32077 2.26300 -74.06759 841.85660
5680.0000 -77.96425 -73.13701 4.82724 2.29682 -73.71971 911.58657
5685.0000 -77.03683 -73.71899 3.31785 2.33517 -73.32514 878.41831
5690.0000 -76.57082 -73.01956 3.55126 2.30264 -73.65985 834.13020
5695.0000 -78.02546 -73.80542 4.22004 2.32866 -73.39215 862.65682
5700.0000 -78.23029 -74.17948 4.05081 2.29138 -73.77569 843.74743
5705.0000 -77.21591 -72.66391 4.55200 2.30231 -73.66318 854.54759
5710.0000 -78.25063 -73.84558 4.40505 2.34598 -73.21393 918.16526
5715.0000 -76.64872 -72.37789 4.27083 2.32822 -73.39661 871.60116
5720.0000 -76.78172 -72.31512 4.46659 2.50203 -71.60838 997.92631
5725.0000 -76.82853 -73.43483 3.39370 2.38981 -72.76296 916.21960
5730.0000 -76.67375 -73.51277 3.16098 2.28941 -73.79589 824.10968
5735.0000 -77.35262 -74.08141 3.27121 2.28691 -73.82163 822.50731
5740.0000 -77.68155 -73.67249 4.00906 2.25744 -74.12480 829.16399
5745.0000 -77.17650 -73.20713 3.96937 2.29882 -73.69911 840.83147
5750.0000 -77.30362 -73.63614 3.66748 2.31582 -73.52417 855.69043
MELTING PROCESS: loop number 24 T-loop= 916.00000000000000
main_MD> interactions number 24 at Temperature= 916.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.95068 2.22566 -0.48522
force_rgl> df(natom) 1.02047 1.38108 -0.50777
5755.0000 -77.20802 -72.97952 4.22851 2.36419 -73.02654 905.85464
5760.0000 -76.16481 -72.10968 4.05514 2.49681 -71.66216 975.71910
5765.0000 -75.17728 -72.14799 3.02930 2.45372 -72.10540 981.73628
5770.0000 -75.75004 -71.09143 4.65861 2.46481 -71.99131 991.70296
5775.0000 -76.60885 -72.34214 4.26670 2.50386 -71.58959 1043.32241
5780.0000 -76.00383 -72.21194 3.79190 2.48012 -71.83388 1025.95510
5785.0000 -76.72174 -72.25714 4.46460 2.43149 -72.33415 935.10552
5790.0000 -77.33230 -73.57402 3.75828 2.27360 -73.95856 816.28724
5795.0000 -77.02147 -72.44342 4.57805 2.40468 -72.61000 936.77524
5800.0000 -77.07379 -73.27536 3.79842 2.39434 -72.71633 958.92743
5805.0000 -77.46042 -73.85246 3.60795 2.35052 -73.16718 952.28425
5810.0000 -78.14440 -74.41080 3.73360 2.28186 -73.87360 844.78213
5815.0000 -76.39695 -72.81106 3.58589 2.27740 -73.91953 848.47580
5820.0000 -76.90000 -73.42211 3.47789 2.40542 -72.60235 930.01341
5825.0000 -75.98025 -72.44650 3.53375 2.35858 -73.08427 931.60606
5830.0000 -76.67867 -71.36370 5.31497 2.48222 -71.81227 984.97478
5835.0000 -76.71962 -72.81664 3.90299 2.45021 -72.14155 949.98399
5840.0000 -76.31985 -72.65887 3.66098 2.35125 -73.15968 879.35887
5845.0000 -77.95635 -73.52321 4.43314 2.35483 -73.12283 910.88820
5850.0000 -77.25513 -72.76200 4.49313 2.32348 -73.44539 885.15272
5855.0000 -76.95258 -72.40173 4.55085 2.40275 -72.62981 968.73055
5860.0000 -76.38504 -72.63468 3.75036 2.38067 -72.85700 950.01037
5865.0000 -76.53171 -72.46116 4.07055 2.33965 -73.27899 923.17904
5870.0000 -77.08201 -73.72799 3.35401 2.37470 -72.91839 946.53787
5875.0000 -76.34422 -72.54073 3.80349 2.32565 -73.42308 901.96672
5880.0000 -76.42755 -72.17822 4.24932 2.44689 -72.17573 980.26705
5885.0000 -77.11242 -74.09755 3.01487 2.34377 -73.23669 861.19996
5890.0000 -78.01019 -74.80481 3.20539 2.21936 -74.51657 797.35024
5895.0000 -78.28526 -74.80480 3.48046 2.18459 -74.87433 762.94103
5900.0000 -77.65265 -73.73444 3.91821 2.26376 -74.05984 809.27071
5905.0000 -76.11780 -72.39769 3.72012 2.36712 -72.99640 907.33781
5910.0000 -76.57718 -72.65626 3.92091 2.40399 -72.61710 1000.79337
5915.0000 -76.16173 -71.22148 4.94025 2.39823 -72.67638 963.14087
5920.0000 -76.77674 -73.75164 3.02510 2.41323 -72.52204 978.74422
5925.0000 -76.05911 -72.77136 3.28775 2.32165 -73.46421 913.52118
5930.0000 -75.92570 -71.57160 4.35410 2.40300 -72.62728 940.64641
5935.0000 -75.92967 -71.60156 4.32811 2.52498 -71.37231 1019.87975
5940.0000 -74.50038 -70.45096 4.04941 2.58019 -70.80425 1070.98132
5945.0000 -76.06260 -71.84353 4.21907 2.49793 -71.65062 1047.23562
5950.0000 -76.64311 -73.49326 3.14985 2.38842 -72.77723 911.90901
5955.0000 -76.91032 -73.93371 2.97661 2.31501 -73.53252 841.49529
5960.0000 -77.05316 -73.61105 3.44211 2.32840 -73.39479 831.45437
5965.0000 -78.07754 -75.46845 2.60909 2.22830 -74.42461 767.34291
5970.0000 -78.64040 -75.07189 3.56851 2.18015 -74.92004 746.84001
5975.0000 -78.16007 -74.75312 3.40695 2.19519 -74.76529 768.90124
5980.0000 -76.64301 -73.47379 3.16922 2.25249 -74.17581 815.33356
5985.0000 -77.63788 -74.24181 3.39607 2.25448 -74.15527 836.44915
5990.0000 -77.07893 -73.42359 3.65534 2.30722 -73.61266 880.85674
5995.0000 -76.97420 -73.18082 3.79337 2.38410 -72.82173 961.88374
6000.0000 -77.14007 -72.59386 4.54621 2.37224 -72.94379 897.26238
MELTING PROCESS: loop number 25 T-loop= 941.00000000000000
main_MD> interactions number 25 at Temperature= 941.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.32809 -2.36008 -1.51792
force_rgl> df(natom) 2.14582 -2.06363 -2.11676
6005.0000 -77.35827 -73.66166 3.69661 2.41193 -72.53541 921.13130
6010.0000 -76.40334 -73.32798 3.07535 2.32024 -73.47871 854.54347
6015.0000 -76.74099 -73.16515 3.57584 2.34007 -73.27469 845.67024
6020.0000 -77.10622 -73.23021 3.87600 2.34902 -73.18266 854.73120
6025.0000 -74.68092 -70.56135 4.11957 2.41097 -72.54531 964.68297
6030.0000 -75.70087 -72.23691 3.46397 2.55483 -71.06520 1109.50496
6035.0000 -76.30845 -72.37779 3.93065 2.39859 -72.67266 913.80624
6040.0000 -77.11528 -73.56416 3.55112 2.35768 -73.09352 885.62209
6045.0000 -76.30839 -72.46577 3.84262 2.35872 -73.08283 855.98584
6050.0000 -75.97818 -71.07540 4.90278 2.50180 -71.61077 1071.37087
6055.0000 -75.73953 -71.72959 4.00993 2.53869 -71.23125 1062.60735
6060.0000 -75.17017 -71.80299 3.36718 2.42213 -72.43050 906.91216
6065.0000 -75.69151 -72.59553 3.09598 2.44427 -72.20272 905.25540
6070.0000 -78.05343 -72.88860 5.16483 2.44510 -72.19418 971.90608
6075.0000 -78.52361 -74.45107 4.07254 2.30927 -73.59159 887.70837
6080.0000 -77.83143 -73.75507 4.07637 2.23266 -74.37981 829.67546
6085.0000 -77.91541 -73.77230 4.14311 2.30348 -73.65116 897.18502
6090.0000 -77.12575 -73.56577 3.55998 2.32878 -73.39089 894.90670
6095.0000 -76.78621 -72.37601 4.41020 2.39467 -72.71296 951.32444
6100.0000 -76.20464 -72.08172 4.12291 2.46543 -71.98496 993.90641
6105.0000 -76.29792 -71.78443 4.51349 2.47425 -71.89422 1008.61210
6110.0000 -76.85465 -72.04332 4.81133 2.45783 -72.06318 1015.66883
6115.0000 -76.44976 -72.98722 3.46254 2.42725 -72.37773 963.57886
6120.0000 -77.01236 -72.97959 4.03277 2.36029 -73.06672 909.90691
6125.0000 -77.84083 -75.09636 2.74447 2.24749 -74.22723 822.20923
6130.0000 -77.81410 -74.21621 3.59789 2.25166 -74.18431 875.51302
6135.0000 -78.14294 -74.27825 3.86468 2.25642 -74.13530 831.33840
6140.0000 -76.81919 -73.74988 3.06931 2.28009 -73.89177 791.13583
6145.0000 -76.85631 -73.50001 3.35630 2.22346 -74.47441 808.69942
6150.0000 -76.32020 -73.33793 2.98227 2.31638 -73.51848 829.64574
6155.0000 -76.70446 -72.48206 4.22240 2.45175 -72.12572 1006.42234
6160.0000 -77.16878 -72.98012 4.18866 2.44081 -72.23829 961.51259
6165.0000 -77.61694 -73.90619 3.71075 2.31778 -73.50407 888.32942
6170.0000 -77.79030 -74.29187 3.49842 2.26321 -74.06548 755.15289
6175.0000 -77.43237 -74.44450 2.98787 2.24497 -74.25318 799.91929
6180.0000 -77.56965 -73.91460 3.65506 2.24085 -74.29550 800.42121
6185.0000 -77.30444 -73.81052 3.49392 2.28868 -73.80343 846.60686
6190.0000 -76.67094 -73.55043 3.12051 2.30626 -73.62258 869.45464
6195.0000 -76.12935 -72.41458 3.71477 2.40362 -72.62091 903.75040
6200.0000 -75.65793 -71.97206 3.68587 2.45101 -72.13336 926.67476
6205.0000 -75.63124 -72.67198 2.95926 2.51098 -71.51636 977.23398
6210.0000 -76.74667 -72.96140 3.78526 2.37916 -72.87257 860.56319
6215.0000 -75.77205 -71.68948 4.08256 2.37032 -72.96352 908.99014
6220.0000 -75.97740 -72.71199 3.26540 2.46595 -71.97964 1011.44262
6225.0000 -76.51472 -72.55034 3.96437 2.42998 -72.34966 1006.36219
6230.0000 -75.90636 -72.32006 3.58630 2.44250 -72.22087 1019.01035
6235.0000 -76.72610 -73.42419 3.30190 2.38977 -72.76339 966.94674
6240.0000 -76.61708 -72.96821 3.64887 2.32255 -73.45493 897.31663
6245.0000 -75.15918 -70.74939 4.40979 2.43165 -72.33253 924.20267
6250.0000 -75.97003 -71.43905 4.53099 2.57924 -70.81403 1050.22448
MELTING PROCESS: loop number 26 T-loop= 966.00000000000000
main_MD> interactions number 26 at Temperature= 966.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.98502 0.49105 -0.30181
force_rgl> df(natom) 0.52113 1.80332 -1.65572
6255.0000 -75.94897 -71.59512 4.35385 2.50421 -71.58602 1034.95169
6260.0000 -77.18984 -72.72351 4.46633 2.41137 -72.54118 955.02402
6265.0000 -77.83808 -73.86518 3.97290 2.32069 -73.47413 901.44347
6270.0000 -77.89352 -73.97084 3.92268 2.29577 -73.73049 859.95021
6275.0000 -75.67367 -72.38696 3.28671 2.33367 -73.34053 879.23464
6280.0000 -77.04215 -73.50436 3.53779 2.35558 -73.11510 877.18900
6285.0000 -77.47091 -72.51480 4.95611 2.41158 -72.53902 950.08004
6290.0000 -76.74573 -72.47256 4.27317 2.44462 -72.19911 1007.64311
6295.0000 -76.62134 -73.21196 3.40938 2.41659 -72.48741 950.46542
6300.0000 -77.38727 -73.61310 3.77418 2.34986 -73.17404 884.29432
6305.0000 -78.35373 -74.78849 3.56525 2.32307 -73.44957 888.81475
6310.0000 -76.10045 -72.45173 3.64873 2.30183 -73.66816 862.52369
6315.0000 -78.28695 -74.74727 3.53969 2.27290 -73.96574 813.07996
6320.0000 -76.74555 -72.99383 3.75171 2.30939 -73.59035 893.02118
6325.0000 -77.41810 -73.48512 3.93298 2.34781 -73.19511 925.58256
6330.0000 -77.76883 -73.88995 3.87888 2.34170 -73.25797 909.02940
6335.0000 -76.53120 -72.51162 4.01958 2.38648 -72.79720 944.38854
6340.0000 -77.12200 -73.27796 3.84403 2.43620 -72.28571 996.59385
6345.0000 -77.29745 -72.30888 4.98857 2.38727 -72.78906 919.29978
6350.0000 -78.03975 -74.07845 3.96130 2.36806 -72.98676 966.63242
6355.0000 -77.01377 -72.33140 4.68237 2.32940 -73.38453 880.60012
6360.0000 -76.58980 -71.72651 4.86329 2.46270 -72.01302 1030.88807
6365.0000 -75.32097 -70.93304 4.38792 2.52092 -71.41404 1012.77693
6370.0000 -76.41459 -70.97948 5.43511 2.57492 -70.85853 1089.22078
6375.0000 -76.14432 -72.94079 3.20353 2.46042 -72.03655 985.84322
6380.0000 -76.41547 -72.82683 3.58864 2.38594 -72.80274 916.08632
6385.0000 -76.45555 -71.95663 4.49892 2.43753 -72.27200 996.35551
6390.0000 -76.64101 -72.66199 3.97902 2.38791 -72.78251 932.99572
6395.0000 -76.42346 -72.59134 3.83213 2.35601 -73.11075 934.15625
6400.0000 -76.24156 -73.37952 2.86205 2.37064 -72.96025 900.27985
6405.0000 -77.49683 -73.05525 4.44158 2.37435 -72.92201 929.32495
6410.0000 -75.88643 -71.88135 4.00509 2.43481 -72.29998 990.10766
6415.0000 -76.33486 -72.41231 3.92255 2.43924 -72.25447 996.95028
6420.0000 -76.99381 -72.48759 4.50621 2.38444 -72.81823 942.08912
6425.0000 -76.39209 -71.73450 4.65759 2.46931 -71.94510 1046.82155
6430.0000 -75.96541 -72.52093 3.44448 2.40769 -72.57898 920.49193
6435.0000 -77.14783 -73.25365 3.89419 2.34503 -73.22364 862.37765
6440.0000 -75.46221 -72.30864 3.15357 2.38128 -72.85072 875.82227
6445.0000 -78.05603 -73.62101 4.43503 2.40365 -72.62057 913.64430
6450.0000 -75.83228 -71.63985 4.19243 2.35972 -73.07257 925.79938
6455.0000 -77.71804 -72.46963 5.24841 2.43809 -72.26626 952.98700
6460.0000 -75.90356 -70.94512 4.95844 2.53314 -71.28831 1074.90504
6465.0000 -74.90773 -70.93817 3.96957 2.53738 -71.24468 1012.44004
6470.0000 -76.13772 -72.27877 3.85894 2.58111 -70.79479 1053.56331
6475.0000 -76.60705 -72.16947 4.43758 2.42398 -72.41138 948.37956
6480.0000 -76.45315 -72.98922 3.46393 2.40672 -72.58898 991.95343
6485.0000 -76.96349 -73.37390 3.58959 2.29592 -73.72891 811.68161
6490.0000 -76.29798 -72.51948 3.77849 2.38444 -72.81820 943.22031
6495.0000 -77.09032 -72.06820 5.02212 2.35800 -73.09021 925.32025
6500.0000 -76.12609 -72.73570 3.39038 2.41137 -72.54121 944.65624
MELTING PROCESS: loop number 27 T-loop= 991.00000000000000
main_MD> interactions number 27 at Temperature= 991.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.76156 5.66062 3.54709
force_rgl> df(natom) 2.51297 0.50553 -2.65927
6505.0000 -77.65146 -72.62700 5.02446 2.36338 -73.03490 907.10241
6510.0000 -75.35317 -71.38766 3.96551 2.50539 -71.57388 1039.05166
6515.0000 -75.62272 -70.31783 5.30489 2.66205 -69.96205 1168.05354
6520.0000 -75.21982 -71.68505 3.53477 2.53562 -71.26289 1059.25897
6525.0000 -77.12536 -72.77718 4.34818 2.46641 -71.97492 984.67646
6530.0000 -75.30352 -70.58238 4.72114 2.48550 -71.77846 1016.28754
6535.0000 -75.80234 -71.36491 4.43743 2.50061 -71.62304 1048.32542
6540.0000 -77.12322 -72.27965 4.84357 2.42601 -72.39052 981.04621
6545.0000 -77.39081 -73.14167 4.24914 2.49865 -71.64324 1013.05277
6550.0000 -76.52765 -71.51669 5.01096 2.42524 -72.39845 931.90993
6555.0000 -76.92753 -72.94886 3.97867 2.48584 -71.77499 1027.67359
6560.0000 -76.58782 -72.39646 4.19136 2.37323 -72.93352 925.72903
6565.0000 -76.59281 -72.61720 3.97561 2.39437 -72.71603 904.59041
6570.0000 -75.81128 -71.89139 3.91988 2.46808 -71.95773 1021.06000
6575.0000 -76.34095 -71.48748 4.85348 2.48423 -71.79159 1038.59427
6580.0000 -75.58440 -70.63046 4.95394 2.53498 -71.26938 1077.57845
6585.0000 -76.80948 -71.74022 5.06926 2.58057 -70.80041 1141.11985
6590.0000 -76.24888 -72.30367 3.94522 2.47583 -71.87796 1015.26886
6595.0000 -75.64129 -71.15037 4.49092 2.44873 -72.15684 1002.79005
6600.0000 -74.64798 -69.84411 4.80387 2.60261 -70.57363 1109.52165
6605.0000 -76.28107 -72.40959 3.87148 2.55126 -71.10193 1050.53815
6610.0000 -77.15265 -73.06841 4.08425 2.41967 -72.45578 940.39949
6615.0000 -75.30039 -70.79979 4.50060 2.45050 -72.13856 957.75073
6620.0000 -75.73423 -71.28315 4.45108 2.56567 -70.95369 1099.92820
6625.0000 -75.71904 -70.54124 5.17780 2.52312 -71.39147 1108.26918
6630.0000 -75.37738 -70.92052 4.45686 2.62659 -70.32697 1129.52332
6635.0000 -75.72507 -72.07716 3.64791 2.61818 -70.41348 1159.50729
6640.0000 -76.45530 -72.11586 4.33944 2.45258 -72.11718 952.46372
6645.0000 -75.93675 -71.52011 4.41663 2.41641 -72.48931 950.49098
6650.0000 -76.76272 -72.46397 4.29875 2.45638 -72.07809 967.89963
6655.0000 -76.36043 -71.29630 5.06413 2.43935 -72.25326 962.12314
6660.0000 -76.71473 -72.91757 3.79717 2.51602 -71.46451 1057.73977
6665.0000 -75.52299 -70.48189 5.04111 2.46174 -72.02297 1022.49957
6670.0000 -77.19716 -73.42365 3.77351 2.45325 -72.11032 966.06003
6675.0000 -75.05591 -70.01815 5.03776 2.46799 -71.95868 971.48255
6680.0000 -75.30533 -71.04456 4.26077 2.58153 -70.79047 1081.41418
6685.0000 -76.10375 -70.49212 5.61163 2.59812 -70.61983 1129.07333
6690.0000 -75.96487 -72.22246 3.74241 2.46699 -71.96893 978.86111
6695.0000 -76.83512 -72.21642 4.61871 2.46795 -71.95904 996.39878
6700.0000 -76.38840 -71.09212 5.29628 2.48709 -71.76214 1012.61098
6705.0000 -76.46282 -71.96100 4.50182 2.46742 -71.96446 1031.53828
6710.0000 -76.32082 -71.62239 4.69843 2.50831 -71.54384 1004.70113
6715.0000 -74.89414 -70.64971 4.24443 2.54289 -71.18802 1071.71023
6720.0000 -77.30502 -72.82414 4.48089 2.46160 -72.02435 975.67399
6725.0000 -76.06235 -72.15969 3.90267 2.39569 -72.70244 941.08742
6730.0000 -74.77364 -71.04593 3.72771 2.50951 -71.53151 1027.14595
6735.0000 -76.00741 -70.59663 5.41078 2.60868 -70.51118 1151.48308
6740.0000 -74.95566 -71.57057 3.38509 2.54061 -71.21152 1088.47127
6745.0000 -77.22096 -72.06057 5.16040 2.51276 -71.49801 1038.95352
6750.0000 -76.50202 -71.06363 5.43839 2.50041 -71.62514 1016.76980
MELTING PROCESS: loop number 28 T-loop= 1016.0000000000000
main_MD> interactions number 28 at Temperature= 1016.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.43139 1.62295 -1.77092
force_rgl> df(natom) -0.54482 1.25082 -1.71301
6755.0000 -76.15530 -72.34902 3.80628 2.53976 -71.22024 1084.91205
6760.0000 -76.77534 -73.18066 3.59468 2.41904 -72.46220 1005.84509
6765.0000 -77.27867 -72.79294 4.48574 2.38803 -72.78124 906.40085
6770.0000 -75.43608 -70.79215 4.64394 2.49118 -71.72008 1023.03780
6775.0000 -75.90936 -71.70231 4.20705 2.53723 -71.24631 1080.11905
6780.0000 -76.94623 -72.71335 4.23288 2.45442 -72.09820 953.41908
6785.0000 -75.92727 -70.97800 4.94927 2.52388 -71.38361 1025.49161
6790.0000 -74.87831 -70.47742 4.40089 2.59178 -70.68501 1108.54341
6795.0000 -76.61081 -71.44675 5.16407 2.55027 -71.11214 1060.75216
6800.0000 -74.26356 -69.96079 4.30276 2.53416 -71.27789 1030.69863
6805.0000 -76.98574 -71.75134 5.23440 2.52142 -71.40893 1055.33293
6810.0000 -76.06124 -72.01306 4.04818 2.45736 -72.06796 989.34091
6815.0000 -75.35578 -70.48230 4.87348 2.52270 -71.39580 1059.17234
6820.0000 -76.30385 -72.28650 4.01734 2.50207 -71.60802 1042.07783
6825.0000 -75.85307 -72.39401 3.45905 2.46328 -72.00704 1003.68455
6830.0000 -77.42508 -74.51745 2.90763 2.37011 -72.96568 906.29068
6835.0000 -77.14877 -73.18977 3.95900 2.28011 -73.89163 823.62811
6840.0000 -74.90615 -70.16914 4.73701 2.49361 -71.69507 1000.73099
6845.0000 -76.43424 -71.19317 5.24107 2.56863 -70.92318 1085.75485
6850.0000 -74.86388 -70.94173 3.92215 2.58460 -70.75895 1109.20003
6855.0000 -76.29955 -71.63421 4.66534 2.48775 -71.75533 977.17783
6860.0000 -77.25293 -73.78377 3.46917 2.41253 -72.52924 970.59592
6865.0000 -77.36358 -72.87426 4.48933 2.37784 -72.88616 927.56943
6870.0000 -77.03772 -73.21724 3.82048 2.38705 -72.79138 940.26411
6875.0000 -75.56738 -71.01918 4.54820 2.41877 -72.46502 935.10907
6880.0000 -75.92618 -70.37239 5.55379 2.59204 -70.68241 1132.66500
6885.0000 -75.93820 -70.08121 5.85699 2.68472 -69.72890 1160.71298
6890.0000 -75.02402 -69.70752 5.31650 2.60807 -70.51748 1076.91206
6895.0000 -76.06052 -70.45092 5.60960 2.62850 -70.30725 1182.50054
6900.0000 -75.68118 -71.00588 4.67530 2.62367 -70.35691 1116.77172
6905.0000 -74.71434 -70.45197 4.26237 2.57565 -70.85104 1095.27003
6910.0000 -74.35985 -69.60935 4.75050 2.62466 -70.34676 1097.43513
6915.0000 -75.38433 -70.40188 4.98244 2.62588 -70.33427 1138.18061
6920.0000 -76.09991 -72.24961 3.85030 2.56525 -70.95800 1090.73267
6925.0000 -76.61398 -71.62126 4.99272 2.46326 -72.00731 1027.85031
6930.0000 -75.65436 -70.89410 4.76025 2.56055 -71.00639 1066.87649
6935.0000 -77.11514 -72.80202 4.31313 2.43972 -72.24947 970.16766
6940.0000 -76.79234 -72.37571 4.41663 2.36949 -72.97201 943.98170
6945.0000 -75.29371 -70.75122 4.54249 2.50010 -71.62833 1040.79924
6950.0000 -75.89449 -70.64002 5.25447 2.58226 -70.78299 1115.70602
6955.0000 -76.26955 -71.28006 4.98949 2.53768 -71.24169 1011.19303
6960.0000 -75.66558 -71.76772 3.89786 2.46636 -71.97544 985.05384
6965.0000 -73.85776 -68.92049 4.93727 2.65250 -70.06030 1113.01351
6970.0000 -74.34630 -70.57907 3.76723 2.68883 -69.68654 1186.73484
6975.0000 -76.01629 -70.86465 5.15164 2.57937 -70.81274 1128.07699
6980.0000 -76.07045 -71.69911 4.37134 2.47842 -71.85132 1025.18803
6985.0000 -76.05205 -72.36443 3.68762 2.39496 -72.70997 927.34461
6990.0000 -75.87882 -71.24920 4.62962 2.39561 -72.70330 913.47315
6995.0000 -75.56115 -71.37583 4.18532 2.57453 -70.86252 1060.35185
7000.0000 -75.82425 -72.58792 3.23633 2.50070 -71.62206 1031.04563
MELTING PROCESS: loop number 29 T-loop= 1041.0000000000000
main_MD> interactions number 29 at Temperature= 1041.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.65304 5.70627 -5.30923
force_rgl> df(natom) 0.23311 -1.18102 -2.65292
7005.0000 -76.59450 -71.83400 4.76050 2.40567 -72.59976 954.69565
7010.0000 -75.73754 -71.14537 4.59216 2.45826 -72.05879 1011.12283
7015.0000 -76.12656 -72.46127 3.66529 2.49048 -71.72730 1017.18993
7020.0000 -77.44016 -72.27909 5.16107 2.50346 -71.59370 1037.17921
7025.0000 -75.82598 -71.25552 4.57046 2.48650 -71.76815 1037.19832
7030.0000 -76.47290 -71.69453 4.77837 2.53543 -71.26482 1065.30283
7035.0000 -76.18565 -70.20091 5.98474 2.50220 -71.60665 1073.32760
7040.0000 -75.69418 -71.43261 4.26157 2.61162 -70.48096 1134.64836
7045.0000 -75.04028 -69.51507 5.52521 2.62837 -70.30865 1147.59982
7050.0000 -74.42628 -69.32632 5.09996 2.75690 -68.98624 1274.29514
7055.0000 -74.08776 -69.31961 4.76815 2.74526 -69.10605 1249.05175
7060.0000 -75.91854 -71.36723 4.55131 2.59948 -70.60581 1102.48832
7065.0000 -75.67467 -71.60230 4.07237 2.52308 -71.39184 1045.94983
7070.0000 -75.92659 -71.49972 4.42687 2.51229 -71.50289 1021.64842
7075.0000 -75.11678 -70.14154 4.97525 2.56656 -70.94450 1100.13603
7080.0000 -75.70274 -72.01177 3.69097 2.53458 -71.27350 1034.70394
7085.0000 -77.10360 -72.37689 4.72672 2.46491 -71.99032 1019.77157
7090.0000 -75.84262 -72.46895 3.37367 2.41708 -72.48245 980.36551
7095.0000 -76.66589 -72.03202 4.63387 2.48360 -71.79808 1034.45133
7100.0000 -76.08098 -72.44838 3.63260 2.49997 -71.62958 1004.20782
7105.0000 -76.96848 -71.49534 5.47315 2.45191 -72.12410 994.95294
7110.0000 -75.36922 -70.59429 4.77493 2.53611 -71.25780 1080.37250
7115.0000 -75.68397 -70.98968 4.69429 2.61144 -70.48274 1124.37424
7120.0000 -77.23607 -72.94203 4.29404 2.47248 -71.91244 971.18690
7125.0000 -76.35134 -71.19692 5.15442 2.41633 -72.49013 975.83433
7130.0000 -75.39764 -70.05073 5.34691 2.54320 -71.18484 1004.68007
7135.0000 -76.03929 -71.51257 4.52673 2.61083 -70.48910 1096.90272
7140.0000 -77.11079 -72.89786 4.21293 2.48109 -71.82383 998.08678
7145.0000 -76.74856 -72.74811 4.00045 2.34373 -73.23704 897.75174
7150.0000 -76.77692 -72.41699 4.35993 2.48134 -71.82126 1046.36948
7155.0000 -77.26852 -72.67215 4.59637 2.34652 -73.20834 945.23667
7160.0000 -76.94495 -73.20537 3.73958 2.38460 -72.81658 918.73214
7165.0000 -76.68863 -73.28039 3.40824 2.33237 -73.35388 868.70072
7170.0000 -76.10956 -71.55875 4.55081 2.40983 -72.55704 895.90191
7175.0000 -76.00816 -72.60468 3.40348 2.50390 -71.58915 974.46492
7180.0000 -75.39999 -71.84126 3.55872 2.48573 -71.77613 1075.32292
7185.0000 -75.13436 -70.14736 4.98700 2.51565 -71.46827 1038.88341
7190.0000 -74.72910 -69.85078 4.87833 2.61204 -70.47666 1134.71184
7195.0000 -75.03110 -69.94897 5.08213 2.68072 -69.77001 1186.57350
7200.0000 -75.18483 -70.99429 4.19054 2.56168 -70.99473 1041.75816
7205.0000 -75.90005 -71.41155 4.48850 2.60031 -70.59733 1122.73548
7210.0000 -76.52122 -71.83013 4.69109 2.49253 -71.70617 1017.08109
7215.0000 -76.07024 -72.49444 3.57581 2.52566 -71.36528 1091.99553
7220.0000 -76.18207 -71.46607 4.71599 2.47795 -71.85614 1030.14061
7225.0000 -75.92955 -71.46053 4.46902 2.51413 -71.48390 1030.75998
7230.0000 -76.14630 -71.87938 4.26691 2.52078 -71.41552 1011.50427
7235.0000 -76.53709 -72.65885 3.87825 2.44560 -72.18903 963.15572
7240.0000 -74.98509 -71.45939 3.52570 2.50463 -71.58169 1024.72260
7245.0000 -76.13361 -72.22182 3.91180 2.45704 -72.07126 904.51817
7250.0000 -74.23124 -70.35656 3.87468 2.56967 -70.91249 1092.86436
MELTING PROCESS: loop number 30 T-loop= 1066.0000000000000
main_MD> interactions number 30 at Temperature= 1066.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.23760 -1.55456 -1.08910
force_rgl> df(natom) -0.75890 -0.10576 -1.67112
7255.0000 -75.67575 -71.92606 3.74969 2.52284 -71.39428 1015.87263
7260.0000 -75.68342 -71.20252 4.48091 2.55820 -71.03051 1064.88220
7265.0000 -75.76641 -71.72333 4.04307 2.61064 -70.49099 1114.40840
7270.0000 -75.74169 -71.15536 4.58634 2.52067 -71.41660 1046.82660
7275.0000 -74.64346 -70.14213 4.50132 2.60264 -70.57335 1089.63121
7280.0000 -76.75541 -72.75262 4.00279 2.49843 -71.64551 1028.50030
7285.0000 -76.34225 -71.38067 4.96158 2.47587 -71.87756 1065.82532
7290.0000 -76.32452 -71.76769 4.55683 2.52238 -71.39909 1043.74993
7295.0000 -74.27364 -70.45795 3.81568 2.54824 -71.13298 1039.41401
7300.0000 -74.78308 -70.69359 4.08949 2.65404 -70.04455 1131.77498
7305.0000 -76.12110 -72.00371 4.11739 2.54194 -71.19787 1042.22713
7310.0000 -74.66275 -69.18622 5.47653 2.69780 -69.59425 1217.15826
7315.0000 -73.62052 -69.56383 4.05670 2.74095 -69.15035 1205.53048
7320.0000 -75.34974 -71.15192 4.19782 2.68360 -69.74033 1170.58396
7325.0000 -75.98451 -70.27630 5.70822 2.55417 -71.07196 1094.96098
7330.0000 -75.59921 -71.09294 4.50627 2.57184 -70.89020 1113.76636
7335.0000 -76.61821 -71.66042 4.95779 2.53402 -71.27930 1076.70036
7340.0000 -77.91211 -73.67478 4.23733 2.39700 -72.68898 939.41575
7345.0000 -77.05523 -73.77362 3.28161 2.31254 -73.55792 873.26012
7350.0000 -74.99581 -70.49369 4.50212 2.39699 -72.68906 938.20757
7355.0000 -75.83211 -72.07806 3.75405 2.57838 -70.82287 1072.82526
7360.0000 -75.93650 -71.79225 4.14424 2.45723 -72.06938 991.25531
7365.0000 -76.59020 -71.91252 4.67768 2.47174 -71.92002 970.58771
7370.0000 -75.48532 -71.41678 4.06854 2.43533 -72.29465 957.21740
7375.0000 -76.08034 -72.22885 3.85148 2.43154 -72.33369 942.01721
7380.0000 -76.19791 -72.04068 4.15723 2.48167 -71.81793 1006.58829
7385.0000 -76.76331 -72.45825 4.30506 2.44581 -72.18682 979.17784
7390.0000 -77.46503 -73.09807 4.36696 2.38562 -72.80611 936.32500
7395.0000 -77.40882 -72.86341 4.54541 2.39131 -72.74751 935.41966
7400.0000 -76.24436 -72.24713 3.99723 2.35282 -73.14356 935.01831
7405.0000 -76.14150 -71.33595 4.80554 2.47895 -71.84586 1061.52072
7410.0000 -77.00872 -73.03640 3.97231 2.49490 -71.68177 1028.95773
7415.0000 -76.32200 -72.22369 4.09830 2.45728 -72.06879 990.19198
7420.0000 -75.66028 -71.92513 3.73514 2.45295 -72.11338 984.63999
7425.0000 -75.53824 -71.27076 4.26748 2.51515 -71.47343 1010.28883
7430.0000 -75.54246 -71.68397 3.85849 2.51790 -71.44518 1033.97217
7435.0000 -76.42430 -71.61171 4.81259 2.51816 -71.44244 1025.24599
7440.0000 -76.35439 -71.55836 4.79603 2.51648 -71.45973 1021.73703
7445.0000 -74.22540 -70.96464 3.26076 2.59065 -70.69666 1113.73441
7450.0000 -74.90777 -71.02712 3.88065 2.55419 -71.07181 983.66884
7455.0000 -76.12222 -71.53917 4.58305 2.52268 -71.39592 1004.94222
7460.0000 -75.07758 -70.27151 4.80607 2.60755 -70.52282 1118.67991
7465.0000 -75.78656 -69.04947 6.73709 2.65983 -69.98491 1192.81927
7470.0000 -75.69057 -71.19407 4.49650 2.65173 -70.06826 1117.08107
7475.0000 -76.08138 -70.25447 5.82691 2.58631 -70.74128 1100.46987
7480.0000 -75.64444 -71.14157 4.50287 2.58451 -70.75984 1115.50228
7485.0000 -74.92956 -70.87939 4.05018 2.57084 -70.90045 1078.76089
7490.0000 -76.34945 -72.23624 4.11322 2.50816 -71.54534 1006.86775
7495.0000 -77.15032 -73.07244 4.07788 2.41229 -72.53169 991.43233
7500.0000 -76.14776 -72.04182 4.10594 2.41114 -72.54353 945.82096
MELTING PROCESS: loop number 31 T-loop= 1091.0000000000000
main_MD> interactions number 31 at Temperature= 1091.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.98332 3.19052 -1.56702
force_rgl> df(natom) 2.68561 0.71280 0.87630
7505.0000 -76.17045 -71.77363 4.39682 2.43905 -72.25639 976.54639
7510.0000 -75.09590 -70.04388 5.05202 2.57693 -70.83788 1053.63878
7515.0000 -74.41893 -70.07376 4.34517 2.64393 -70.14850 1074.24047
7520.0000 -75.31368 -71.69457 3.61911 2.57700 -70.83712 1114.13776
7525.0000 -75.99923 -70.73066 5.26857 2.53884 -71.22967 1039.51387
7530.0000 -75.35564 -70.39857 4.95707 2.62908 -70.30133 1144.85395
7535.0000 -75.65068 -71.07351 4.57717 2.65372 -70.04780 1168.92519
7540.0000 -75.18934 -70.09177 5.09757 2.61631 -70.43269 1158.40233
7545.0000 -75.63460 -70.70251 4.93208 2.61346 -70.46195 1089.71449
7550.0000 -75.58036 -72.44164 3.13872 2.47838 -71.85172 986.58456
7555.0000 -75.04914 -70.12490 4.92424 2.54283 -71.18871 1099.27939
7560.0000 -74.92352 -70.56726 4.35626 2.66455 -69.93636 1095.95869
7565.0000 -74.86927 -69.45374 5.41553 2.61923 -70.40267 1067.34566
7570.0000 -75.86163 -69.67512 6.18652 2.63865 -70.20284 1212.82439
7575.0000 -75.14851 -69.86646 5.28205 2.64519 -70.13555 1183.08784
7580.0000 -74.92716 -70.37946 4.54770 2.67387 -69.84051 1193.64616
7585.0000 -75.21245 -71.60131 3.61114 2.57871 -70.81956 1056.63984
7590.0000 -77.07074 -73.15393 3.91681 2.45437 -72.09878 976.57997
7595.0000 -75.32372 -69.98456 5.33916 2.52633 -71.35839 1044.32833
7600.0000 -75.08380 -69.93143 5.15237 2.66019 -69.98128 1150.14984
7605.0000 -75.36022 -70.37976 4.98047 2.70941 -69.47484 1290.54170
7610.0000 -75.44536 -71.33591 4.10946 2.56186 -70.99288 1086.37438
7615.0000 -74.62022 -70.37265 4.24757 2.59913 -70.60947 1115.22247
7620.0000 -75.92800 -70.26751 5.66050 2.60844 -70.51365 1118.92447
7625.0000 -75.82285 -71.22487 4.59798 2.60062 -70.59406 1069.25181
7630.0000 -77.06635 -73.00904 4.05731 2.53641 -71.25470 1045.74005
7635.0000 -77.25169 -71.96950 5.28219 2.44303 -72.21547 997.71055
7640.0000 -76.12918 -71.20895 4.92023 2.51771 -71.44710 1058.43855
7645.0000 -75.81065 -71.93626 3.87438 2.50200 -71.60868 1053.44877
7650.0000 -75.08729 -70.28974 4.79755 2.53162 -71.30396 1085.63327
7655.0000 -74.49811 -69.10918 5.38893 2.66284 -69.95398 1134.04277
7660.0000 -74.25475 -69.93382 4.32093 2.68221 -69.75465 1149.95945
7665.0000 -75.72651 -70.51684 5.20967 2.62450 -70.34847 1142.42610
7670.0000 -75.95527 -70.69190 5.26337 2.59624 -70.63918 1124.76479
7675.0000 -76.29897 -72.03942 4.25955 2.54473 -71.16914 1043.89420
7680.0000 -75.83614 -71.05626 4.77988 2.57442 -70.86369 1091.98674
7685.0000 -75.24338 -70.16030 5.08308 2.56752 -70.93468 1095.25654
7690.0000 -75.20342 -71.22338 3.98004 2.61433 -70.45306 1059.14660
7695.0000 -73.95795 -69.94192 4.01603 2.63464 -70.24406 1149.26607
7700.0000 -75.35123 -70.61719 4.73404 2.64197 -70.16868 1184.30761
7705.0000 -74.91447 -71.04312 3.87135 2.60926 -70.50517 1092.24636
7710.0000 -75.36352 -71.71221 3.65131 2.47132 -71.92437 1026.42049
7715.0000 -75.71408 -71.39937 4.31471 2.54123 -71.20514 1113.66280
7720.0000 -75.03217 -70.27607 4.75610 2.53397 -71.27983 1106.27609
7725.0000 -75.38809 -69.75863 5.62946 2.58444 -70.76057 1147.76835
7730.0000 -74.86528 -70.77881 4.08647 2.66283 -69.95409 1209.99935
7735.0000 -75.80103 -71.33734 4.46369 2.59946 -70.60599 1158.31533
7740.0000 -76.98776 -71.89296 5.09480 2.51005 -71.52590 1031.21948
7745.0000 -75.76123 -70.51695 5.24427 2.51589 -71.46578 1018.73727
7750.0000 -75.71913 -70.37159 5.34754 2.65355 -70.04957 1099.85748
MELTING PROCESS: loop number 32 T-loop= 1116.0000000000000
main_MD> interactions number 32 at Temperature= 1116.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.05808 -2.49652 1.32618
force_rgl> df(natom) 0.18562 -2.17985 -2.66436
7755.0000 -75.54618 -71.28578 4.26040 2.56503 -70.96027 1031.72603
7760.0000 -75.43814 -70.38498 5.05316 2.57823 -70.82448 1131.43258
7765.0000 -73.62430 -69.16360 4.46070 2.71196 -69.44859 1279.09176
7770.0000 -74.11348 -69.85630 4.25717 2.72288 -69.33626 1176.94968
7775.0000 -75.49089 -70.37141 5.11947 2.68952 -69.67945 1145.09226
7780.0000 -75.11715 -70.15230 4.96485 2.64412 -70.14658 1107.35947
7785.0000 -76.11526 -69.91183 6.20343 2.63901 -70.19916 1166.91454
7790.0000 -75.30578 -68.92675 6.37903 2.73430 -69.21876 1280.04972
7795.0000 -75.23156 -71.53296 3.69860 2.65069 -70.07894 1129.95361
7800.0000 -75.74169 -71.01598 4.72571 2.54140 -71.20338 1085.78381
7805.0000 -75.95087 -70.52228 5.42859 2.53383 -71.28130 1013.41717
7810.0000 -76.25549 -71.96602 4.28947 2.56904 -70.91899 1094.83179
7815.0000 -75.17036 -71.53227 3.63809 2.52517 -71.37038 1028.90834
7820.0000 -74.76604 -69.90389 4.86215 2.67594 -69.81924 1171.52592
7825.0000 -76.47883 -72.23348 4.24535 2.55826 -71.02994 988.02926
7830.0000 -76.26907 -72.04250 4.22657 2.40715 -72.58456 985.22059
7835.0000 -76.74491 -72.92036 3.82455 2.36299 -73.03886 909.20306
7840.0000 -75.53708 -70.57633 4.96075 2.46138 -72.02663 1025.45744
7845.0000 -75.79260 -71.06601 4.72659 2.57441 -70.86379 1074.80603
7850.0000 -76.24140 -70.85175 5.38964 2.60056 -70.59473 1123.85069
7855.0000 -73.89246 -69.36450 4.52795 2.62569 -70.33615 1142.47206
7860.0000 -74.85044 -69.50873 5.34171 2.71958 -69.37020 1182.14246
7865.0000 -76.02483 -70.31406 5.71078 2.64210 -70.16739 1182.24396
7870.0000 -75.89069 -71.24946 4.64123 2.58005 -70.80571 1117.15859
7875.0000 -75.62070 -71.14058 4.48012 2.56735 -70.93641 1042.15154
7880.0000 -75.77749 -70.47712 5.30038 2.53782 -71.24023 1042.47725
7885.0000 -74.99614 -69.76950 5.22664 2.66736 -69.90749 1213.56201
7890.0000 -76.98003 -70.84213 6.13790 2.59882 -70.61258 1128.37159
7895.0000 -76.56083 -71.62812 4.93272 2.50903 -71.53636 1051.38721
7900.0000 -75.04371 -70.29444 4.74927 2.50396 -71.58852 993.38712
7905.0000 -74.98794 -69.11282 5.87512 2.68275 -69.74913 1201.39689
7910.0000 -75.37250 -71.09594 4.27656 2.63310 -70.25991 1168.27531
7915.0000 -75.59504 -71.22736 4.36767 2.56252 -70.98608 1067.72096
7920.0000 -75.10949 -70.95708 4.15241 2.56797 -70.93001 1111.24512
7925.0000 -75.13722 -68.78408 6.35314 2.68852 -69.68977 1221.23682
7930.0000 -74.51994 -69.97880 4.54115 2.73581 -69.20327 1206.64989
7935.0000 -75.35696 -69.59511 5.76186 2.75864 -68.96837 1205.00288
7940.0000 -74.90471 -68.49041 6.41430 2.72189 -69.34643 1213.22389
7945.0000 -75.48695 -70.44110 5.04585 2.74596 -69.09875 1264.50105
7950.0000 -75.59429 -70.59353 5.00076 2.57199 -70.88861 1109.65599
7955.0000 -76.50998 -71.76456 4.74542 2.51566 -71.46817 1046.99003
7960.0000 -75.45744 -71.14933 4.30811 2.52579 -71.36396 1068.93312
7965.0000 -75.54697 -70.34792 5.19905 2.59255 -70.67710 1118.86504
7970.0000 -74.72921 -68.57065 6.15856 2.73113 -69.25134 1215.20972
7975.0000 -75.75785 -71.09463 4.66322 2.63878 -70.20145 1150.25292
7980.0000 -76.71345 -72.59492 4.11853 2.43037 -72.34566 964.45653
7985.0000 -75.09171 -70.58579 4.50592 2.52459 -71.37633 1039.68889
7990.0000 -73.73673 -69.17204 4.56469 2.63223 -70.26884 1124.88019
7995.0000 -76.14498 -70.22098 5.92400 2.77141 -68.83694 1286.38295
8000.0000 -74.53287 -70.28581 4.24707 2.65439 -70.04087 1180.98720
MELTING PROCESS: loop number 33 T-loop= 1141.0000000000000
main_MD> interactions number 33 at Temperature= 1141.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.00481 -0.25545 -0.03750
force_rgl> df(natom) -1.68912 4.14579 0.40011
8005.0000 -75.89313 -70.58373 5.30940 2.63085 -70.28313 1168.47867
8010.0000 -74.75066 -70.35267 4.39800 2.67520 -69.82679 1152.23000
8015.0000 -76.19306 -70.82357 5.36949 2.62457 -70.34771 1167.61371
8020.0000 -77.10903 -71.58218 5.52686 2.59887 -70.61213 1108.36618
8025.0000 -75.72802 -70.62776 5.10026 2.58169 -70.78884 1147.10837
8030.0000 -75.95285 -71.76459 4.18826 2.55060 -71.10869 1081.93948
8035.0000 -75.86494 -71.97576 3.88918 2.48129 -71.82184 1027.09370
8040.0000 -76.08541 -71.25278 4.83263 2.49994 -71.62990 998.07947
8045.0000 -77.23985 -71.77353 5.46631 2.51134 -71.51269 1061.34835
8050.0000 -73.69921 -68.85151 4.84770 2.65659 -70.01823 1179.20839
8055.0000 -74.86453 -70.01003 4.85450 2.73836 -69.17700 1180.01618
8060.0000 -75.51427 -70.19603 5.31824 2.70402 -69.53026 1227.99609
8065.0000 -74.60292 -69.40783 5.19508 2.64765 -70.11027 1209.70322
8070.0000 -75.91738 -71.00469 4.91269 2.56292 -70.98198 1103.26842
8075.0000 -75.95738 -71.23008 4.72730 2.54084 -71.20918 1052.04721
8080.0000 -75.20588 -70.08455 5.12133 2.59906 -70.61016 1140.57077
8085.0000 -75.47457 -71.23161 4.24296 2.57789 -70.82794 1083.74408
8090.0000 -75.14846 -69.17792 5.97054 2.66315 -69.95081 1114.36553
8095.0000 -74.30891 -69.33163 4.97728 2.73566 -69.20480 1192.60688
8100.0000 -74.32633 -69.49278 4.83355 2.65982 -69.98502 1166.40891
8105.0000 -74.03871 -69.51145 4.52726 2.66639 -69.91748 1111.34010
8110.0000 -74.23052 -70.39756 3.83296 2.62115 -70.38284 1094.81719
8115.0000 -75.29110 -71.41379 3.87731 2.56272 -70.98406 1095.45931
8120.0000 -76.06065 -72.07815 3.98249 2.54375 -71.17922 1088.46914
8125.0000 -75.82480 -71.99221 3.83258 2.46995 -71.93849 1001.60522
8130.0000 -76.28744 -72.50711 3.78033 2.43454 -72.30280 1006.35257
8135.0000 -76.56453 -71.61869 4.94584 2.45963 -72.04464 980.48243
8140.0000 -74.68670 -70.64990 4.03680 2.52218 -71.40106 1062.33254
8145.0000 -75.83150 -70.39634 5.43515 2.58541 -70.75057 1117.31681
8150.0000 -74.81753 -69.72186 5.09568 2.61991 -70.39560 1098.32949
8155.0000 -74.20684 -68.35506 5.85178 2.65140 -70.07170 1205.54827
8160.0000 -76.10970 -71.28878 4.82092 2.63605 -70.22963 1081.14408
8165.0000 -77.17829 -72.62065 4.55765 2.44116 -72.23464 992.88683
8170.0000 -75.19811 -70.55920 4.63891 2.47266 -71.91064 1015.19241
8175.0000 -75.53654 -71.18901 4.34753 2.62657 -70.32713 1147.43304
8180.0000 -75.58009 -70.40005 5.18004 2.57741 -70.83284 1088.23343
8185.0000 -74.99538 -70.31310 4.68228 2.63344 -70.25648 1132.49770
8190.0000 -75.18643 -70.84200 4.34443 2.63432 -70.24743 1114.21478
8195.0000 -75.27834 -70.46907 4.80927 2.54904 -71.12474 1106.55513
8200.0000 -76.28210 -71.00372 5.27838 2.50693 -71.55803 965.19342
8205.0000 -74.17593 -68.86612 5.30981 2.62517 -70.34155 1111.94371
8210.0000 -74.04892 -69.08295 4.96597 2.74467 -69.11207 1254.72048
8215.0000 -75.09783 -69.86097 5.23686 2.60513 -70.54774 1089.76062
8220.0000 -74.79707 -69.93396 4.86312 2.69922 -69.57964 1198.64130
8225.0000 -76.54807 -71.13473 5.41334 2.56276 -70.98360 1126.05336
8230.0000 -75.19011 -70.19858 4.99153 2.56789 -70.93082 1120.78313
8235.0000 -75.17894 -70.12791 5.05103 2.68560 -69.71978 1211.65722
8240.0000 -74.62341 -71.16965 3.45375 2.60721 -70.52631 1202.88313
8245.0000 -75.38356 -70.77297 4.61060 2.53188 -71.30137 1052.99399
8250.0000 -73.90177 -69.58726 4.31451 2.69514 -69.62169 1205.00273
MELTING PROCESS: loop number 34 T-loop= 1166.0000000000000
main_MD> interactions number 34 at Temperature= 1166.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -8.52381 -8.09782 -1.25366
force_rgl> df(natom) -5.68814 3.75294 -1.78093
8255.0000 -75.27941 -70.20998 5.06943 2.64079 -70.18081 1151.17044
8260.0000 -75.20481 -69.70296 5.50186 2.66120 -69.97080 1174.17468
8265.0000 -75.04036 -68.72874 6.31162 2.76167 -68.93719 1282.02104
8270.0000 -75.46964 -70.19851 5.27113 2.66770 -69.90394 1212.06785
8275.0000 -75.29923 -69.64349 5.65574 2.63392 -70.25148 1152.68114
8280.0000 -75.20831 -69.58157 5.62675 2.68761 -69.69917 1193.05934
8285.0000 -74.16764 -69.59249 4.57515 2.66390 -69.94306 1168.26661
8290.0000 -74.45633 -69.00498 5.45135 2.71836 -69.38274 1190.06870
8295.0000 -73.63005 -68.62028 5.00977 2.71402 -69.42742 1199.84018
8300.0000 -75.15126 -70.44647 4.70479 2.64183 -70.17015 1174.89623
8305.0000 -74.11285 -69.54832 4.56453 2.68340 -69.74245 1210.94730
8310.0000 -76.14492 -71.39909 4.74583 2.54869 -71.12839 1089.52796
8315.0000 -75.83076 -70.80732 5.02345 2.63767 -70.21296 1147.42831
8320.0000 -74.78181 -68.73767 6.04415 2.69873 -69.58473 1253.02324
8325.0000 -74.19438 -69.44632 4.74806 2.74082 -69.15164 1258.32487
8330.0000 -73.61972 -69.15646 4.46326 2.75013 -69.05591 1268.57819
8335.0000 -75.43769 -70.35836 5.07934 2.65705 -70.01349 1163.71646
8340.0000 -75.28453 -69.68953 5.59500 2.65526 -70.03191 1109.29325
8345.0000 -75.72470 -70.00913 5.71556 2.60423 -70.55696 1065.19595
8350.0000 -75.39546 -71.04066 4.35481 2.54885 -71.12672 1062.50174
8355.0000 -74.59887 -69.44371 5.15517 2.67450 -69.83404 1198.48503
8360.0000 -76.51664 -70.73904 5.77760 2.70398 -69.53073 1235.81944
8365.0000 -74.87651 -69.89713 4.97938 2.61660 -70.42967 1099.61698
8370.0000 -74.87553 -69.83557 5.03996 2.62999 -70.29193 1180.22024
8375.0000 -75.67838 -71.78348 3.89489 2.55645 -71.04858 1103.17914
8380.0000 -76.28579 -71.29760 4.98819 2.51873 -71.43664 1075.21366
8385.0000 -75.29075 -70.94708 4.34367 2.53748 -71.24375 1057.56271
8390.0000 -75.42990 -71.27631 4.15358 2.59311 -70.67140 1098.83247
8395.0000 -73.98442 -68.73299 5.25143 2.61291 -70.46770 1102.51526
8400.0000 -74.74598 -69.44756 5.29842 2.69584 -69.61448 1191.97091
8405.0000 -74.21611 -70.29638 3.91973 2.63362 -70.25455 1149.23774
8410.0000 -74.24458 -69.84085 4.40373 2.66585 -69.92297 1127.13788
8415.0000 -73.42112 -68.62161 4.79951 2.73829 -69.17767 1244.76806
8420.0000 -75.78195 -71.46982 4.31214 2.64088 -70.17993 1105.27483
8425.0000 -76.83740 -71.49230 5.34510 2.54957 -71.11928 1092.94065
8430.0000 -76.53660 -71.45633 5.08027 2.51617 -71.46290 1030.01033
8435.0000 -76.16761 -71.29337 4.87423 2.58537 -70.75100 1090.24695
8440.0000 -75.95133 -71.02702 4.92431 2.50748 -71.55234 1037.29683
8445.0000 -75.36604 -70.44445 4.92159 2.54762 -71.13938 1083.64153
8450.0000 -73.53808 -69.86066 3.67743 2.69432 -69.63010 1172.20882
8455.0000 -72.49687 -68.32605 4.17082 2.73490 -69.21255 1238.01384
8460.0000 -74.15192 -68.92749 5.22443 2.78404 -68.70698 1284.80226
8465.0000 -75.57358 -70.52741 5.04617 2.65756 -70.00825 1191.75222
8470.0000 -75.33598 -68.85781 6.47817 2.63263 -70.26478 1206.65894
8475.0000 -74.22723 -70.03965 4.18758 2.70302 -69.54063 1200.19383
8480.0000 -74.41564 -70.56317 3.85247 2.62385 -70.35514 1127.36701
8485.0000 -75.19858 -69.25035 5.94822 2.68371 -69.73926 1171.77014
8490.0000 -75.37425 -69.42768 5.94657 2.68835 -69.69149 1211.12531
8495.0000 -75.17002 -70.06083 5.10919 2.59992 -70.60135 1068.46293
8500.0000 -74.35186 -68.37593 5.97593 2.72091 -69.35652 1209.59205
MELTING PROCESS: loop number 35 T-loop= 1191.0000000000000
main_MD> interactions number 35 at Temperature= 1191.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.04748 1.30704 -1.46866
force_rgl> df(natom) -1.72721 1.87936 -2.89351
8505.0000 -72.41356 -67.34745 5.06611 2.83226 -68.21094 1266.12905
8510.0000 -75.44697 -70.18769 5.25928 2.77594 -68.79034 1255.78383
8515.0000 -74.50020 -70.78921 3.71100 2.62503 -70.34299 1102.85816
8520.0000 -75.35100 -70.62518 4.72582 2.62223 -70.37176 1121.89803
8525.0000 -74.32723 -69.38366 4.94357 2.67457 -69.83324 1224.62497
8530.0000 -75.96459 -70.91252 5.05206 2.64286 -70.15948 1151.85203
8535.0000 -73.88359 -67.71176 6.17183 2.74013 -69.15874 1286.09701
8540.0000 -74.45284 -69.08050 5.37233 2.80856 -68.45479 1287.13531
8545.0000 -75.42565 -70.78844 4.63721 2.61590 -70.43687 1126.40229
8550.0000 -75.62493 -71.53288 4.09205 2.56341 -70.97692 1089.18490
8555.0000 -75.28026 -70.97525 4.30500 2.52341 -71.38843 1032.17183
8560.0000 -74.93143 -69.93122 5.00021 2.59968 -70.60381 1076.95371
8565.0000 -76.24743 -70.50529 5.74213 2.64927 -70.09355 1153.83891
8570.0000 -75.70538 -71.39815 4.30723 2.59566 -70.64515 1093.67915
8575.0000 -73.27178 -67.88112 5.39065 2.69384 -69.63507 1190.77307
8580.0000 -74.42596 -68.44295 5.98301 2.83177 -68.21596 1370.33401
8585.0000 -72.32459 -67.13717 5.18742 2.76757 -68.87648 1240.10029
8590.0000 -72.83339 -67.03304 5.80035 2.92970 -67.20841 1335.52416
8595.0000 -73.21345 -66.41138 6.80208 2.96930 -66.80102 1389.32509
8600.0000 -72.98004 -67.21109 5.76895 2.90563 -67.45610 1401.20086
8605.0000 -73.93115 -68.05364 5.87751 2.93287 -67.17586 1407.88512
8610.0000 -73.26205 -67.59104 5.67101 2.76528 -68.90008 1279.77200
8615.0000 -74.60599 -68.49202 6.11398 2.82325 -68.30366 1282.98299
8620.0000 -74.53844 -69.24685 5.29159 2.72289 -69.33612 1255.68495
8625.0000 -74.43635 -69.55958 4.87677 2.64161 -70.17236 1165.32408
8630.0000 -74.10495 -68.60456 5.50040 2.70990 -69.46978 1231.06635
8635.0000 -74.82075 -70.52834 4.29241 2.75348 -69.02142 1200.66421
8640.0000 -74.45289 -69.79077 4.66212 2.65011 -70.08490 1184.84833
8645.0000 -73.66824 -67.21718 6.45106 2.89113 -67.60529 1412.17228
8650.0000 -75.28444 -68.31245 6.97199 2.93663 -67.13711 1370.10729
8655.0000 -75.81580 -69.75083 6.06498 2.70420 -69.52841 1220.71531
8660.0000 -73.95464 -68.72905 5.22559 2.72945 -69.26863 1285.02643
8665.0000 -74.47825 -69.12637 5.35188 2.76820 -68.87001 1249.55385
8670.0000 -74.88980 -68.81193 6.07787 2.73029 -69.26001 1228.36034
8675.0000 -74.69600 -70.20382 4.49218 2.70334 -69.53727 1157.67657
8680.0000 -76.66891 -72.45254 4.21638 2.51888 -71.43509 1016.91773
8685.0000 -74.44439 -70.72163 3.72277 2.47363 -71.90056 986.96796
8690.0000 -75.69489 -70.55000 5.14489 2.56004 -71.01161 1096.96155
8695.0000 -76.18565 -71.00994 5.17571 2.59327 -70.66977 1107.99179
8700.0000 -75.28698 -70.39599 4.89100 2.60246 -70.57522 1116.68890
8705.0000 -74.77719 -70.10333 4.67386 2.67186 -69.86117 1207.24266
8710.0000 -74.98745 -69.45826 5.52919 2.68404 -69.73584 1140.16308
8715.0000 -74.51189 -68.05558 6.45631 2.81048 -68.43501 1296.98077
8720.0000 -74.76593 -69.96039 4.80554 2.80540 -68.48722 1283.25277
8725.0000 -75.25956 -69.99628 5.26328 2.71362 -69.43151 1207.94325
8730.0000 -75.03066 -70.47100 4.55966 2.66387 -69.94342 1162.11996
8735.0000 -74.81479 -69.27576 5.53903 2.72622 -69.30185 1216.85799
8740.0000 -75.69636 -70.50575 5.19061 2.70938 -69.47511 1226.55705
8745.0000 -74.43334 -69.72092 4.71242 2.61560 -70.43999 1122.32706
8750.0000 -74.98248 -68.80130 6.18118 2.65858 -69.99781 1194.27573
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 6 [min], 3.6068280 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink