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nanoparticlesims/growth_Melting_Silver_ICO_2451/meltingSims/run_34/melt.log

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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_34.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 = 34 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: 34 3400
main_MD> Size of nv and nvoiz: 34 3400
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 = 34
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> 3.1063265621603494E-002 -0.16081076284375773 -0.14557494496999077 initial drift of cluster / NP1 for coalescence
init> 0.34909389886146797 0.33285624898263078 0.31850836977294333 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.8994802489947684E-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) 1.71876 -1.01192 -0.57760
force_rgl> df(natom) -1.60355 -0.66640 0.34570
preparo> THERMALIZATION PROCESS AT 313.36926622439523
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -82.381787922468433 1.2820313765461877 -83.663819299014619 3.7746267222078594E-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= 338.00000000000000
main_MD> interactions number 1 at Temperature= 338.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46026 -0.32781 -1.89928
force_rgl> df(natom) 0.36699 0.84742 -0.19525
5.0000 -83.47728 -81.90837 1.56890 1.71827 -82.26658 324.35978
10.0000 -84.03152 -82.57392 1.45760 1.72697 -82.17528 336.78175
15.0000 -83.84512 -82.43727 1.40786 1.70290 -82.42794 318.68687
20.0000 -83.69365 -82.13605 1.55760 1.70233 -82.43391 309.24098
25.0000 -83.60445 -81.87045 1.73399 1.73047 -82.13861 329.53124
30.0000 -83.46684 -82.08781 1.37903 1.74982 -81.93550 340.68511
35.0000 -83.61594 -82.21036 1.40558 1.74318 -82.00521 342.75018
40.0000 -83.95626 -82.35341 1.60284 1.72566 -82.18903 329.44611
45.0000 -84.01238 -82.38114 1.63124 1.70864 -82.36772 310.17000
50.0000 -83.43194 -81.99763 1.43431 1.71137 -82.33900 322.67878
55.0000 -83.74754 -82.38097 1.36657 1.71948 -82.25386 323.74917
60.0000 -83.51298 -82.35728 1.15570 1.71341 -82.31761 313.04307
65.0000 -83.30588 -81.74662 1.55925 1.72978 -82.14580 335.85340
70.0000 -83.41752 -82.08310 1.33442 1.77002 -81.72352 380.57982
75.0000 -83.55825 -82.16351 1.39474 1.70224 -82.43485 292.21569
80.0000 -83.41195 -81.72063 1.69132 1.78420 -81.57463 404.49383
85.0000 -83.63633 -81.67519 1.96114 1.75876 -81.84161 373.91601
90.0000 -83.41993 -81.39587 2.02407 1.78055 -81.61298 398.98964
95.0000 -83.42230 -81.81350 1.60880 1.77584 -81.66236 381.43741
100.0000 -83.75403 -82.51544 1.23858 1.71767 -82.27293 322.41228
105.0000 -83.74931 -82.52572 1.22359 1.70577 -82.39779 308.98090
110.0000 -83.73432 -82.25896 1.47536 1.71493 -82.30168 311.78061
115.0000 -83.49596 -82.21873 1.27723 1.71392 -82.31230 315.49075
120.0000 -83.65930 -82.22364 1.43565 1.72573 -82.18832 322.63766
125.0000 -83.23894 -81.58164 1.65730 1.73307 -82.11125 338.05192
130.0000 -84.09824 -82.34219 1.75605 1.73661 -82.07411 342.56117
135.0000 -83.85060 -82.22796 1.62264 1.71561 -82.29456 334.08396
140.0000 -83.59293 -81.93306 1.65987 1.70692 -82.38568 307.48413
145.0000 -83.13958 -81.62863 1.51095 1.76388 -81.78792 364.70198
150.0000 -83.57553 -82.30973 1.26579 1.74222 -82.01529 338.01833
155.0000 -84.07229 -82.77668 1.29561 1.70799 -82.37451 303.32652
160.0000 -83.74459 -82.07846 1.66614 1.71123 -82.34049 319.90589
165.0000 -83.39350 -81.83906 1.55445 1.74804 -81.95418 350.57841
170.0000 -83.62751 -81.88381 1.74370 1.73242 -82.11807 347.19816
175.0000 -83.75350 -82.32753 1.42597 1.73578 -82.08281 338.49061
180.0000 -83.35582 -82.24024 1.11558 1.71264 -82.32570 307.80317
185.0000 -83.53510 -82.32739 1.20770 1.71923 -82.25650 309.60396
190.0000 -83.49819 -81.91003 1.58816 1.73071 -82.13601 324.04210
195.0000 -83.57470 -82.39297 1.18173 1.73926 -82.04632 325.57876
200.0000 -83.53009 -82.17962 1.35047 1.70321 -82.42471 293.53330
205.0000 -83.71774 -82.49523 1.22251 1.70439 -82.41228 295.95630
210.0000 -83.37293 -81.91031 1.46262 1.74652 -81.97013 358.85107
215.0000 -83.77957 -82.35667 1.42290 1.73158 -82.12695 342.02730
220.0000 -83.79763 -82.14818 1.64946 1.74326 -82.00439 343.50539
225.0000 -83.79138 -82.03908 1.75230 1.73473 -82.09381 331.50272
230.0000 -83.18562 -81.79540 1.39022 1.73732 -82.06671 344.33604
235.0000 -83.27151 -81.98492 1.28659 1.73905 -82.04855 323.60006
240.0000 -83.50056 -81.71455 1.78601 1.75831 -81.84638 372.73675
245.0000 -83.36807 -81.67089 1.69718 1.76449 -81.78156 365.23726
250.0000 -83.75220 -82.09871 1.65349 1.76501 -81.77610 367.54871
MELTING PROCESS: loop number 2 T-loop= 363.00000000000000
main_MD> interactions number 2 at Temperature= 363.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.50431 -0.18292 2.25025
force_rgl> df(natom) 0.54612 1.22806 1.25297
255.0000 -83.46746 -81.77152 1.69593 1.76103 -81.81787 365.91778
260.0000 -83.39385 -81.34137 2.05249 1.79261 -81.48643 404.17077
265.0000 -83.79101 -81.81259 1.97843 1.78407 -81.57600 387.49522
270.0000 -83.84120 -82.03250 1.80870 1.73000 -82.14355 324.81949
275.0000 -83.47038 -82.22299 1.24739 1.72760 -82.16872 327.77815
280.0000 -83.38814 -82.07846 1.30968 1.73570 -82.08368 333.97345
285.0000 -83.08616 -81.42445 1.66172 1.75546 -81.87628 356.66207
290.0000 -83.48771 -81.59748 1.89023 1.77436 -81.67798 361.10418
295.0000 -83.06146 -81.58799 1.47347 1.77830 -81.63663 393.78342
300.0000 -83.57657 -81.76901 1.80756 1.77115 -81.71165 377.27333
305.0000 -83.29644 -81.66658 1.62986 1.76742 -81.75080 366.24032
310.0000 -83.64521 -82.05699 1.58822 1.75455 -81.88589 352.96680
315.0000 -83.16581 -81.82910 1.33671 1.76207 -81.80689 361.79216
320.0000 -83.05916 -81.59340 1.46576 1.76820 -81.74257 366.90984
325.0000 -83.53140 -82.09393 1.43747 1.77200 -81.70267 367.85901
330.0000 -83.79002 -82.53804 1.25198 1.70348 -82.42182 300.16304
335.0000 -83.21413 -81.67814 1.53599 1.73214 -82.12109 327.52272
340.0000 -83.14966 -81.91036 1.23930 1.77287 -81.69361 386.77047
345.0000 -83.29037 -81.49187 1.79850 1.73751 -82.06469 340.43826
350.0000 -83.54854 -81.70754 1.84100 1.77272 -81.69518 373.66351
355.0000 -83.44170 -82.03884 1.40286 1.73868 -82.05241 334.64439
360.0000 -83.60207 -81.89714 1.70493 1.73751 -82.06467 340.36852
365.0000 -83.14263 -81.11630 2.02633 1.79721 -81.43816 396.78504
370.0000 -83.37574 -81.07661 2.29914 1.80643 -81.34137 414.51614
375.0000 -83.47527 -81.80112 1.67415 1.81003 -81.30353 410.81038
380.0000 -83.31548 -81.36505 1.95044 1.76797 -81.74501 377.95252
385.0000 -83.31540 -81.75843 1.55697 1.81027 -81.30102 422.55151
390.0000 -83.33902 -82.20848 1.13054 1.74393 -81.99729 353.35404
395.0000 -82.98002 -81.55878 1.42124 1.76233 -81.80416 363.02329
400.0000 -83.24933 -81.32618 1.92315 1.79869 -81.42265 392.41282
405.0000 -83.33751 -81.66426 1.67325 1.78475 -81.56888 371.86819
410.0000 -82.77552 -81.15170 1.62382 1.81603 -81.24060 422.10560
415.0000 -83.28447 -81.27038 2.01409 1.80801 -81.32482 417.09892
420.0000 -83.38288 -81.50063 1.88226 1.81246 -81.27808 395.71072
425.0000 -82.85117 -81.20969 1.64149 1.80764 -81.32867 401.68833
430.0000 -83.32155 -81.64631 1.67524 1.78061 -81.61235 376.54624
435.0000 -83.16405 -81.65715 1.50690 1.77316 -81.69059 374.48658
440.0000 -83.07656 -81.43408 1.64249 1.82426 -81.15423 424.97514
445.0000 -83.30325 -81.84200 1.46125 1.77608 -81.65985 358.53385
450.0000 -83.23248 -81.53750 1.69498 1.74945 -81.93940 360.06362
455.0000 -83.58788 -82.15231 1.43557 1.75672 -81.86306 343.62204
460.0000 -83.35576 -81.30491 2.05086 1.75364 -81.89540 353.46702
465.0000 -83.66160 -81.78843 1.87317 1.79503 -81.46099 407.95423
470.0000 -83.48075 -81.91215 1.56860 1.76480 -81.77827 378.99821
475.0000 -83.99537 -82.35149 1.64388 1.75866 -81.84270 363.82931
480.0000 -83.32393 -81.76284 1.56109 1.72170 -82.23061 321.76087
485.0000 -83.36019 -81.37080 1.98938 1.76202 -81.80745 363.72993
490.0000 -83.76042 -82.12152 1.63890 1.79246 -81.48801 394.22595
495.0000 -83.29373 -81.85482 1.43891 1.75307 -81.90143 358.42646
500.0000 -83.46274 -81.57002 1.89272 1.74818 -81.95274 339.25798
MELTING PROCESS: loop number 3 T-loop= 388.00000000000000
main_MD> interactions number 3 at Temperature= 388.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.00852 -2.75886 1.53687
force_rgl> df(natom) 1.91573 -0.54994 -1.87768
505.0000 -83.30277 -81.79597 1.50680 1.77726 -81.64751 389.21737
510.0000 -83.58696 -81.51252 2.07443 1.76047 -81.82375 368.37013
515.0000 -83.23127 -81.63276 1.59851 1.79940 -81.41509 407.83210
520.0000 -82.71077 -80.66270 2.04806 1.82965 -81.09764 440.94394
525.0000 -83.75321 -82.18019 1.57302 1.81513 -81.25005 428.88878
530.0000 -83.50954 -81.80057 1.70897 1.71692 -82.28081 309.91020
535.0000 -83.51349 -81.27636 2.23713 1.79863 -81.42322 401.29202
540.0000 -83.29070 -81.37122 1.91948 1.78735 -81.54160 394.57795
545.0000 -83.15872 -81.27137 1.88735 1.80186 -81.38932 414.44623
550.0000 -83.43708 -81.65213 1.78495 1.80972 -81.30682 438.12592
555.0000 -83.25900 -81.24873 2.01026 1.81204 -81.28244 431.84460
560.0000 -83.54204 -81.68869 1.85334 1.81014 -81.30241 423.27728
565.0000 -83.32194 -81.51266 1.80928 1.78510 -81.56525 393.06650
570.0000 -83.40599 -81.05122 2.35476 1.80234 -81.38425 408.53701
575.0000 -83.14853 -81.59861 1.54992 1.82729 -81.12246 423.74733
580.0000 -82.95631 -81.26654 1.68977 1.78320 -81.58518 392.11484
585.0000 -83.39515 -81.82253 1.57263 1.78287 -81.58859 392.71913
590.0000 -82.91550 -81.23679 1.67871 1.78470 -81.56941 395.15881
595.0000 -83.12851 -81.21816 1.91035 1.81400 -81.26193 415.86098
600.0000 -83.06665 -80.81029 2.25636 1.83326 -81.05977 449.77822
605.0000 -83.64892 -81.74668 1.90224 1.82218 -81.17607 428.58978
610.0000 -83.55110 -81.79254 1.75856 1.74204 -82.01717 345.15798
615.0000 -82.83032 -81.20090 1.62942 1.79543 -81.45684 394.76722
620.0000 -83.24467 -81.76518 1.47949 1.78849 -81.52966 388.88887
625.0000 -83.37863 -81.79426 1.58437 1.77293 -81.69293 352.11804
630.0000 -83.50121 -81.81056 1.69064 1.78608 -81.55489 365.53446
635.0000 -83.30544 -81.52352 1.78193 1.77843 -81.63526 345.46755
640.0000 -83.26788 -81.78088 1.48700 1.77574 -81.66341 364.60684
645.0000 -82.95606 -81.14915 1.80691 1.77882 -81.63113 368.03887
650.0000 -83.48625 -81.43858 2.04767 1.79207 -81.49205 379.66174
655.0000 -83.40963 -81.82177 1.58785 1.75819 -81.84762 359.94180
660.0000 -83.10694 -81.38380 1.72314 1.77070 -81.71636 378.10734
665.0000 -82.92891 -80.86063 2.06828 1.82889 -81.10568 421.91441
670.0000 -82.91670 -81.52484 1.39186 1.81320 -81.27030 401.84418
675.0000 -83.28990 -81.42236 1.86754 1.77369 -81.68497 383.67387
680.0000 -83.19349 -81.63225 1.56124 1.80339 -81.37328 434.81633
685.0000 -83.36586 -82.03175 1.33411 1.77679 -81.65246 384.88057
690.0000 -83.34378 -81.80257 1.54121 1.78081 -81.61028 396.93024
695.0000 -83.58999 -82.31318 1.27681 1.76244 -81.80309 371.50010
700.0000 -83.12584 -81.41415 1.71169 1.76910 -81.73311 381.20699
705.0000 -83.47622 -81.74505 1.73117 1.77989 -81.61992 375.42972
710.0000 -82.99940 -81.22861 1.77079 1.81246 -81.27803 414.86195
715.0000 -82.92340 -81.44892 1.47448 1.76906 -81.73357 359.45221
720.0000 -83.27488 -81.89663 1.37825 1.75897 -81.83942 368.09868
725.0000 -82.93068 -81.25911 1.67157 1.77497 -81.67150 375.96495
730.0000 -82.51505 -80.71902 1.79604 1.83632 -81.02768 418.83350
735.0000 -82.90059 -81.34423 1.55636 1.85064 -80.87733 442.89075
740.0000 -82.36101 -80.74645 1.61457 1.85107 -80.87285 442.69266
745.0000 -83.18765 -81.77837 1.40928 1.84258 -80.96201 434.63696
750.0000 -82.56200 -80.98874 1.57325 1.82482 -81.14840 419.47948
MELTING PROCESS: loop number 4 T-loop= 413.00000000000000
main_MD> interactions number 4 at Temperature= 413.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.21051 -2.32941 0.39140
force_rgl> df(natom) -0.47151 -1.17929 2.31818
755.0000 -83.08998 -81.19836 1.89162 1.84569 -80.92929 464.02500
760.0000 -83.27248 -81.71133 1.56115 1.78021 -81.61659 395.13976
765.0000 -83.20152 -81.26641 1.93511 1.80758 -81.32930 426.88662
770.0000 -82.85290 -81.13917 1.71373 1.83509 -81.04063 451.83181
775.0000 -82.94226 -81.21319 1.72907 1.83306 -81.06191 443.92865
780.0000 -83.17227 -81.08714 2.08513 1.82870 -81.10765 449.83628
785.0000 -82.83964 -80.85281 1.98684 1.82182 -81.17983 421.08812
790.0000 -82.56531 -80.82255 1.74275 1.86540 -80.72242 488.07902
795.0000 -83.11031 -81.29261 1.81770 1.81007 -81.30318 420.07754
800.0000 -82.79763 -80.89804 1.89960 1.80535 -81.35265 403.08937
805.0000 -83.08010 -81.14419 1.93591 1.83937 -80.99561 422.27494
810.0000 -82.83373 -81.36046 1.47327 1.82538 -81.14246 435.22253
815.0000 -83.34995 -81.70192 1.64803 1.79075 -81.50590 410.82240
820.0000 -83.39175 -81.60583 1.78591 1.77995 -81.61931 397.42795
825.0000 -83.40816 -81.83022 1.57794 1.78104 -81.60778 410.92276
830.0000 -83.83522 -82.07058 1.76464 1.75741 -81.85588 365.16808
835.0000 -83.19872 -81.24088 1.95784 1.78284 -81.58893 382.98311
840.0000 -82.49236 -80.34505 2.14731 1.84953 -80.88903 438.82870
845.0000 -82.88814 -80.94212 1.94602 1.86049 -80.77399 453.09435
850.0000 -83.31324 -81.44312 1.87012 1.82931 -81.10123 421.48032
855.0000 -83.17350 -81.52363 1.64987 1.79832 -81.42650 400.44592
860.0000 -83.57901 -80.98518 2.59383 1.80666 -81.33890 404.37733
865.0000 -82.36696 -80.42279 1.94416 1.85096 -80.87400 458.83518
870.0000 -83.41408 -81.22360 2.19047 1.84582 -80.92794 469.74087
875.0000 -83.23134 -80.97265 2.25869 1.79007 -81.51311 398.23457
880.0000 -82.82647 -81.12076 1.70570 1.81604 -81.24046 416.80361
885.0000 -83.04117 -81.40491 1.63626 1.82341 -81.16315 413.93620
890.0000 -82.73060 -80.65958 2.07102 1.81808 -81.21911 400.45064
895.0000 -82.81827 -80.48038 2.33789 1.86658 -80.71012 457.64839
900.0000 -82.70382 -81.12284 1.58098 1.85556 -80.82574 439.80374
905.0000 -83.59697 -82.28537 1.31160 1.79267 -81.48574 381.81625
910.0000 -82.68136 -80.48670 2.19466 1.80745 -81.33066 401.34634
915.0000 -82.97041 -80.60897 2.36144 1.87368 -80.63562 463.30851
920.0000 -82.71186 -80.98658 1.72528 1.85266 -80.85614 437.65148
925.0000 -82.94729 -80.79616 2.15113 1.84006 -80.98846 433.31780
930.0000 -82.87832 -81.12198 1.75633 1.84363 -80.95090 444.36683
935.0000 -83.08236 -81.70842 1.37394 1.78280 -81.58941 371.95802
940.0000 -83.26363 -81.58650 1.67713 1.77642 -81.65627 364.61727
945.0000 -83.13073 -81.45334 1.67739 1.79406 -81.47119 386.01227
950.0000 -83.17448 -81.06060 2.11388 1.82621 -81.13377 416.01161
955.0000 -83.38912 -81.54023 1.84889 1.76789 -81.74583 354.88801
960.0000 -83.02949 -80.87747 2.15202 1.81987 -81.20026 416.12032
965.0000 -82.95116 -81.12408 1.82709 1.82062 -81.19242 411.30236
970.0000 -83.11417 -81.32945 1.78473 1.83728 -81.01762 415.28771
975.0000 -83.05926 -81.23618 1.82307 1.80658 -81.33984 377.38595
980.0000 -82.35585 -80.38318 1.97267 1.85107 -80.87288 418.11486
985.0000 -82.95493 -80.90619 2.04874 1.88447 -80.52237 475.67616
990.0000 -83.20847 -81.28204 1.92644 1.83589 -81.03216 416.36759
995.0000 -83.35218 -81.24730 2.10488 1.80750 -81.33011 399.52827
1000.0000 -83.20185 -80.79050 2.41135 1.81741 -81.22614 404.50929
MELTING PROCESS: loop number 5 T-loop= 438.00000000000000
main_MD> interactions number 5 at Temperature= 438.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.29132 2.33792 2.74952
force_rgl> df(natom) 1.03410 -1.15944 0.16120
1005.0000 -82.00714 -80.20314 1.80400 1.87796 -80.59060 471.48931
1010.0000 -82.26446 -80.40884 1.85562 1.90793 -80.27615 514.28133
1015.0000 -82.18649 -79.76245 2.42404 1.90471 -80.30992 514.84551
1020.0000 -82.97826 -80.78430 2.19396 1.91629 -80.18842 537.30904
1025.0000 -83.56190 -81.79701 1.76489 1.80419 -81.36491 425.47369
1030.0000 -83.62430 -81.85282 1.77148 1.76080 -81.82020 369.15888
1035.0000 -83.39822 -81.89891 1.49930 1.77424 -81.67919 380.36362
1040.0000 -83.58369 -82.14929 1.43440 1.74544 -81.98144 360.35972
1045.0000 -82.50426 -80.64744 1.85682 1.80980 -81.30601 426.58045
1050.0000 -82.92491 -80.89629 2.02862 1.86152 -80.76319 482.90746
1055.0000 -82.94661 -81.12412 1.82249 1.84268 -80.96091 449.64976
1060.0000 -82.70891 -80.78457 1.92434 1.83460 -81.04576 439.30106
1065.0000 -82.99443 -80.71510 2.27934 1.87501 -80.62156 470.01390
1070.0000 -82.71509 -80.72643 1.98866 1.87266 -80.64623 470.65933
1075.0000 -83.02065 -81.03744 1.98321 1.83816 -81.00831 440.22171
1080.0000 -82.30281 -80.67501 1.62780 1.86715 -80.70407 488.69667
1085.0000 -83.14666 -80.74765 2.39901 1.85418 -80.84025 469.38993
1090.0000 -83.35017 -81.29108 2.05909 1.82722 -81.12320 437.61691
1095.0000 -83.30996 -80.99456 2.31540 1.84990 -80.88516 457.65378
1100.0000 -83.17452 -81.15317 2.02135 1.82828 -81.11206 433.40867
1105.0000 -83.44563 -81.45305 1.99258 1.82639 -81.13186 432.71888
1110.0000 -82.97185 -81.16494 1.80691 1.80249 -81.38271 429.38655
1115.0000 -82.98984 -81.13057 1.85926 1.82275 -81.17006 435.72583
1120.0000 -82.95347 -80.71245 2.24102 1.85826 -80.79741 466.26635
1125.0000 -82.83671 -81.14975 1.68696 1.83220 -81.07090 425.12821
1130.0000 -82.92546 -80.88210 2.04337 1.82344 -81.16289 423.58674
1135.0000 -82.73064 -80.92699 1.80365 1.84594 -80.92675 472.98504
1140.0000 -83.31775 -80.94290 2.37484 1.86023 -80.77673 472.47057
1145.0000 -83.25444 -81.61061 1.64383 1.79878 -81.42170 407.85718
1150.0000 -83.49126 -81.75779 1.73348 1.80461 -81.36043 418.92141
1155.0000 -83.44521 -81.45648 1.98873 1.75428 -81.88867 362.51385
1160.0000 -83.25789 -81.45935 1.79854 1.80945 -81.30968 417.57082
1165.0000 -83.02954 -80.94581 2.08373 1.85416 -80.84043 459.32123
1170.0000 -83.09313 -81.22262 1.87051 1.83484 -81.04322 434.08057
1175.0000 -82.80081 -80.90778 1.89303 1.84261 -80.96168 465.34264
1180.0000 -82.90881 -81.18958 1.71923 1.81410 -81.26084 421.35914
1185.0000 -83.05619 -80.86621 2.18998 1.82808 -81.11416 415.42030
1190.0000 -83.41698 -81.30176 2.11522 1.80219 -81.38582 406.60937
1195.0000 -82.52719 -80.69332 1.83386 1.80792 -81.32577 423.84695
1200.0000 -82.65843 -81.05555 1.60287 1.85934 -80.78602 466.76936
1205.0000 -82.87017 -80.58909 2.28108 1.84394 -80.94769 457.91741
1210.0000 -82.97711 -80.74071 2.23640 1.85588 -80.82235 454.31378
1215.0000 -82.98580 -81.25580 1.73000 1.83230 -81.06988 427.89389
1220.0000 -83.26437 -81.23320 2.03117 1.79817 -81.42802 405.74147
1225.0000 -82.18544 -80.08915 2.09628 1.85458 -80.83602 460.67116
1230.0000 -82.70110 -80.44517 2.25593 1.90482 -80.30870 512.52279
1235.0000 -83.11012 -80.98123 2.12889 1.85728 -80.80768 461.22881
1240.0000 -83.15465 -81.57675 1.57790 1.83240 -81.06877 430.58621
1245.0000 -82.94664 -81.04558 1.90107 1.79895 -81.41983 404.16348
1250.0000 -83.06778 -81.23309 1.83469 1.81997 -81.19921 425.62215
MELTING PROCESS: loop number 6 T-loop= 463.00000000000000
main_MD> interactions number 6 at Temperature= 463.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.64729 -0.63712 1.68548
force_rgl> df(natom) 2.12183 -0.17381 0.87816
1255.0000 -82.88662 -80.84292 2.04370 1.82613 -81.13460 405.93180
1260.0000 -83.10833 -81.37056 1.73777 1.85331 -80.84938 453.05081
1265.0000 -82.78139 -80.38947 2.39191 1.83649 -81.02584 446.58051
1270.0000 -83.05711 -80.73738 2.31973 1.84514 -80.93511 469.29775
1275.0000 -82.11186 -80.51737 1.59449 1.86774 -80.69792 489.36837
1280.0000 -82.91650 -81.24033 1.67617 1.85027 -80.88124 433.52555
1285.0000 -83.35032 -81.67751 1.67281 1.77932 -81.62583 379.04029
1290.0000 -82.59033 -80.41717 2.17317 1.82318 -81.16554 413.35146
1295.0000 -83.06778 -80.93757 2.13021 1.86632 -80.71279 456.09767
1300.0000 -82.84399 -80.36481 2.47918 1.85305 -80.85203 467.17385
1305.0000 -82.72454 -79.67404 3.05050 1.91480 -80.20406 543.79997
1310.0000 -82.76947 -80.66382 2.10565 1.93020 -80.04236 505.85149
1315.0000 -82.89135 -80.87272 2.01863 1.88321 -80.53553 467.68670
1320.0000 -82.15198 -80.06300 2.08898 1.87573 -80.61411 453.30407
1325.0000 -82.57269 -80.37030 2.20239 1.92270 -80.12114 502.21160
1330.0000 -82.50695 -80.39354 2.11341 1.89031 -80.46109 466.35352
1335.0000 -82.94341 -81.25556 1.68785 1.84525 -80.93393 414.98367
1340.0000 -82.69374 -80.59485 2.09889 1.83393 -81.05275 426.71923
1345.0000 -82.85653 -80.96304 1.89349 1.87078 -80.66603 465.69134
1350.0000 -82.43403 -80.44820 1.98583 1.87223 -80.65083 472.74184
1355.0000 -82.55383 -80.87369 1.68014 1.86998 -80.67438 467.51384
1360.0000 -82.71633 -80.76892 1.94741 1.86531 -80.72336 438.22613
1365.0000 -82.77581 -80.45013 2.32568 1.86490 -80.72776 455.88415
1370.0000 -82.38670 -80.15150 2.23521 1.92840 -80.06125 526.68399
1375.0000 -81.37907 -79.31399 2.06508 1.97790 -79.54177 532.90798
1380.0000 -81.79560 -79.32028 2.47532 1.99493 -79.36300 576.05021
1385.0000 -82.56769 -80.28574 2.28195 1.95911 -79.73900 553.62314
1390.0000 -82.32039 -79.99360 2.32679 1.93161 -80.02763 542.16432
1395.0000 -82.69054 -80.87456 1.81598 1.86090 -80.76973 465.30560
1400.0000 -82.45870 -80.70285 1.75586 1.87408 -80.63138 481.13929
1405.0000 -82.93002 -81.21334 1.71668 1.81859 -81.21376 414.01529
1410.0000 -83.13004 -81.05411 2.07593 1.82535 -81.14282 430.69037
1415.0000 -82.64950 -80.88585 1.76366 1.83767 -81.01346 440.74068
1420.0000 -82.70755 -80.56473 2.14282 1.84210 -80.96698 451.80992
1425.0000 -82.82391 -80.47185 2.35206 1.87037 -80.67027 470.96648
1430.0000 -82.98210 -80.35514 2.62695 1.88717 -80.49398 482.12818
1435.0000 -82.85457 -81.24230 1.61226 1.84791 -80.90605 452.51329
1440.0000 -83.26875 -80.97700 2.29175 1.82860 -81.10866 428.29086
1445.0000 -82.62685 -80.64617 1.98068 1.84021 -80.98680 436.13297
1450.0000 -82.83197 -80.00392 2.82805 1.89068 -80.45720 474.72927
1455.0000 -82.68130 -80.52117 2.16013 1.89195 -80.44386 475.37477
1460.0000 -83.05596 -81.22698 1.82898 1.84436 -80.94327 448.44978
1465.0000 -83.22459 -81.30862 1.91598 1.81497 -81.25178 403.31022
1470.0000 -83.06047 -80.87227 2.18820 1.83404 -81.05160 437.07029
1475.0000 -82.52684 -80.38104 2.14581 1.86453 -80.73159 449.72924
1480.0000 -82.36678 -80.26663 2.10015 1.88626 -80.50357 458.75411
1485.0000 -82.53154 -80.15533 2.37621 1.89617 -80.39958 488.90043
1490.0000 -82.77355 -80.95652 1.81703 1.89682 -80.39270 482.42565
1495.0000 -82.74011 -80.85733 1.88277 1.85504 -80.83119 439.14668
1500.0000 -82.53941 -80.34022 2.19919 1.89689 -80.39202 478.69520
MELTING PROCESS: loop number 7 T-loop= 488.00000000000000
main_MD> interactions number 7 at Temperature= 488.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.10366 0.51992 -1.35280
force_rgl> df(natom) 0.40097 -0.50089 -0.36764
1505.0000 -82.49951 -80.74904 1.75047 1.89333 -80.42931 473.11561
1510.0000 -82.49123 -80.60255 1.88868 1.88432 -80.52386 469.66525
1515.0000 -82.61938 -80.02662 2.59276 1.89328 -80.42986 474.79362
1520.0000 -82.43043 -80.19338 2.23704 1.89603 -80.40104 482.79764
1525.0000 -81.43360 -79.45704 1.97656 1.92387 -80.10881 503.48288
1530.0000 -81.90688 -79.22789 2.67899 1.97929 -79.52717 571.38193
1535.0000 -81.82330 -79.17897 2.64433 1.99006 -79.41419 579.37763
1540.0000 -82.13269 -80.13784 1.99484 1.95867 -79.74355 549.69225
1545.0000 -82.63372 -80.46450 2.16922 1.89996 -80.35978 500.47530
1550.0000 -83.01305 -80.80973 2.20332 1.88542 -80.51239 494.94166
1555.0000 -82.75555 -80.51000 2.24555 1.87100 -80.66370 482.48178
1560.0000 -82.18777 -80.35652 1.83125 1.88279 -80.53998 496.31400
1565.0000 -83.00595 -81.05951 1.94644 1.88781 -80.48726 496.12759
1570.0000 -82.90635 -80.36859 2.53776 1.86835 -80.69148 463.05938
1575.0000 -82.82660 -80.96184 1.86476 1.85756 -80.80476 466.82369
1580.0000 -82.75165 -80.44621 2.30544 1.86499 -80.72674 472.55308
1585.0000 -83.21131 -81.10353 2.10779 1.85155 -80.86779 473.26368
1590.0000 -83.06816 -80.72741 2.34075 1.85170 -80.86625 462.50210
1595.0000 -82.69556 -80.68151 2.01405 1.87584 -80.61286 479.21109
1600.0000 -82.40383 -80.48782 1.91601 1.86844 -80.69053 464.49856
1605.0000 -83.03385 -81.16845 1.86540 1.86896 -80.68510 475.70917
1610.0000 -82.74660 -80.50637 2.24023 1.86701 -80.70553 492.68983
1615.0000 -82.66885 -80.42865 2.24021 1.85351 -80.84727 465.61204
1620.0000 -82.38831 -80.16829 2.22002 1.90320 -80.32576 505.67359
1625.0000 -82.73188 -79.99702 2.73485 1.90765 -80.27903 521.48171
1630.0000 -82.27819 -80.16684 2.11135 1.93574 -79.98422 540.98424
1635.0000 -82.82758 -80.88536 1.94222 1.90029 -80.35634 526.11386
1640.0000 -83.22058 -80.53161 2.68897 1.87296 -80.64315 491.11136
1645.0000 -83.11528 -80.66474 2.45055 1.90505 -80.30630 518.12942
1650.0000 -82.56131 -80.87100 1.69030 1.86868 -80.68801 486.79886
1655.0000 -82.63376 -80.63628 1.99747 1.88456 -80.52135 483.96429
1660.0000 -82.32920 -80.19602 2.13317 1.87530 -80.61859 481.61224
1665.0000 -82.77793 -79.76812 3.00981 1.98965 -79.41849 604.12320
1670.0000 -82.99288 -81.00680 1.98608 1.86191 -80.75910 483.51634
1675.0000 -83.42291 -81.22825 2.19465 1.85080 -80.87568 454.05373
1680.0000 -82.17076 -80.22832 1.94244 1.88477 -80.51914 487.59445
1685.0000 -82.80359 -80.97765 1.82593 1.85909 -80.78869 477.75784
1690.0000 -82.47504 -80.26978 2.20526 1.84562 -80.93005 456.22221
1695.0000 -82.68534 -80.35492 2.33042 1.90731 -80.28265 521.95006
1700.0000 -82.49432 -80.72649 1.76784 1.86911 -80.68356 476.40320
1705.0000 -82.44910 -80.15317 2.29593 1.88721 -80.49356 490.36116
1710.0000 -82.75967 -80.73566 2.02401 1.89075 -80.45642 499.78551
1715.0000 -82.44661 -80.61651 1.83010 1.89549 -80.40667 513.65074
1720.0000 -82.98989 -80.81020 2.17969 1.86572 -80.71906 458.93531
1725.0000 -82.71800 -80.03876 2.67924 1.90729 -80.28279 513.87831
1730.0000 -82.26933 -79.57761 2.69173 1.95265 -79.80674 581.29688
1735.0000 -82.75822 -80.29847 2.45975 1.93371 -80.00557 542.77423
1740.0000 -83.11550 -80.64299 2.47252 1.87683 -80.60248 489.67237
1745.0000 -82.69046 -80.49958 2.19089 1.87202 -80.65302 501.39476
1750.0000 -82.65587 -80.76254 1.89333 1.89414 -80.42079 484.22981
MELTING PROCESS: loop number 8 T-loop= 513.00000000000000
main_MD> interactions number 8 at Temperature= 513.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11607 0.99943 1.25020
force_rgl> df(natom) -1.61957 0.23417 -0.90547
1755.0000 -82.61467 -79.91335 2.70132 1.89509 -80.41083 491.33886
1760.0000 -82.52879 -79.97658 2.55221 1.91019 -80.25245 515.04264
1765.0000 -81.92904 -79.87816 2.05088 1.91545 -80.19718 520.12440
1770.0000 -82.57781 -80.26567 2.31214 1.90981 -80.25639 508.02182
1775.0000 -82.70094 -80.82521 1.87573 1.86429 -80.73410 453.69794
1780.0000 -82.41541 -80.62650 1.78892 1.89446 -80.41744 476.05407
1785.0000 -82.59822 -80.23662 2.36160 1.91518 -80.20003 519.02581
1790.0000 -83.01651 -81.00061 2.01589 1.89898 -80.37008 518.82784
1795.0000 -82.66036 -80.67977 1.98059 1.86008 -80.77828 440.12300
1800.0000 -82.53650 -80.31433 2.22217 1.88250 -80.54305 462.41866
1805.0000 -82.73746 -81.31462 1.42285 1.87020 -80.67214 466.22957
1810.0000 -82.07632 -79.63661 2.43971 1.88678 -80.49810 470.94067
1815.0000 -81.72800 -79.53197 2.19603 1.97690 -79.55231 562.72866
1820.0000 -82.28060 -79.61821 2.66239 1.97765 -79.54443 549.64492
1825.0000 -82.35222 -79.69728 2.65494 1.98477 -79.46966 545.72149
1830.0000 -82.04180 -80.46374 1.57806 1.92099 -80.13908 493.91476
1835.0000 -82.75575 -80.15554 2.60021 1.90171 -80.34143 490.97058
1840.0000 -82.29284 -79.42813 2.86471 1.94422 -79.89529 539.08709
1845.0000 -81.95696 -79.63199 2.32497 1.98489 -79.46840 556.74810
1850.0000 -82.01634 -79.94871 2.06763 1.97410 -79.58161 532.20530
1855.0000 -81.80636 -79.24094 2.56541 1.92347 -80.11299 516.97650
1860.0000 -82.54774 -80.54543 2.00231 1.97357 -79.58725 547.47379
1865.0000 -81.42020 -79.63366 1.78653 1.94181 -79.92055 511.08400
1870.0000 -82.83125 -80.19502 2.63623 1.94630 -79.87343 547.48804
1875.0000 -82.74882 -80.10478 2.64404 1.90407 -80.31664 527.31256
1880.0000 -82.66610 -80.31527 2.35083 1.91725 -80.17827 524.12058
1885.0000 -82.77590 -80.80785 1.96804 1.86659 -80.71003 472.40895
1890.0000 -82.61411 -80.44538 2.16873 1.84747 -80.91064 453.88671
1895.0000 -82.36435 -80.05084 2.31351 1.90209 -80.33745 510.38445
1900.0000 -83.20235 -81.19211 2.01024 1.85322 -80.85034 437.75921
1905.0000 -83.06061 -81.17199 1.88862 1.84592 -80.92690 449.14520
1910.0000 -82.87783 -80.79473 2.08310 1.84853 -80.89951 441.08046
1915.0000 -82.31404 -80.27164 2.04240 1.89880 -80.37189 506.06008
1920.0000 -82.74360 -80.23589 2.50772 1.92105 -80.13838 532.44872
1925.0000 -82.75298 -80.42098 2.33200 1.87791 -80.59115 496.07069
1930.0000 -82.17589 -80.21792 1.95797 1.91476 -80.20447 499.43436
1935.0000 -82.25240 -80.17548 2.07692 1.92345 -80.11326 492.00933
1940.0000 -82.74704 -80.83832 1.90872 1.91896 -80.16034 480.69931
1945.0000 -82.94705 -80.73235 2.21470 1.84649 -80.92094 434.54724
1950.0000 -83.19293 -80.96695 2.22598 1.85332 -80.84926 459.88754
1955.0000 -82.74741 -80.60780 2.13961 1.85223 -80.86067 454.15481
1960.0000 -82.58214 -80.29846 2.28368 1.89324 -80.43032 483.50407
1965.0000 -82.24449 -79.84466 2.39983 1.92148 -80.13389 517.53082
1970.0000 -82.49243 -80.53441 1.95802 1.91866 -80.16354 524.73587
1975.0000 -82.30717 -80.30325 2.00392 1.92050 -80.14419 525.41375
1980.0000 -82.06731 -80.07327 1.99404 1.90056 -80.35347 492.29056
1985.0000 -82.55134 -79.91763 2.63371 1.92519 -80.09494 510.00508
1990.0000 -81.31550 -78.93581 2.37969 2.00679 -79.23859 585.72954
1995.0000 -81.63680 -79.32371 2.31309 1.99101 -79.40418 579.86619
2000.0000 -81.69418 -79.90731 1.78687 1.96877 -79.63763 526.56880
MELTING PROCESS: loop number 9 T-loop= 538.00000000000000
main_MD> interactions number 9 at Temperature= 538.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.51068 -0.76107 -0.84465
force_rgl> df(natom) -1.86895 -2.23925 0.63263
2005.0000 -82.09380 -80.07014 2.02366 1.95367 -79.79607 530.43520
2010.0000 -81.94130 -79.68707 2.25423 1.94392 -79.89839 505.34015
2015.0000 -82.77725 -80.06175 2.71550 1.90837 -80.27145 506.08406
2020.0000 -82.70546 -80.32360 2.38186 1.92556 -80.09109 535.31745
2025.0000 -82.84791 -80.49926 2.34866 1.91193 -80.23416 494.47620
2030.0000 -81.96971 -79.32549 2.64422 1.94195 -79.91908 531.82545
2035.0000 -82.30823 -80.10054 2.20769 1.96867 -79.63865 555.69709
2040.0000 -82.83850 -80.64924 2.18925 1.89627 -80.39848 522.93011
2045.0000 -82.39318 -80.06397 2.32921 1.89621 -80.39916 520.89485
2050.0000 -82.75813 -80.46394 2.29419 1.88963 -80.46813 493.15060
2055.0000 -82.47243 -80.51771 1.95472 1.88771 -80.48828 517.92367
2060.0000 -82.13092 -79.99201 2.13891 1.90617 -80.29458 514.66325
2065.0000 -81.84549 -79.59091 2.25458 1.95442 -79.78822 559.93818
2070.0000 -81.58505 -79.47413 2.11092 2.00047 -79.30488 572.08591
2075.0000 -82.15604 -78.94339 3.21265 2.03399 -78.95314 634.09183
2080.0000 -82.88767 -80.79733 2.09033 1.92672 -80.07892 531.42772
2085.0000 -82.72109 -79.77760 2.94350 1.91589 -80.19260 520.47699
2090.0000 -82.33072 -79.45829 2.87243 1.95193 -79.81431 531.72097
2095.0000 -82.39133 -79.52324 2.86809 1.96770 -79.64885 557.98455
2100.0000 -82.53319 -79.99783 2.53536 1.94801 -79.85550 531.30523
2105.0000 -82.27513 -80.38218 1.89295 1.93065 -80.03772 503.45215
2110.0000 -82.09262 -80.24076 1.85186 1.90986 -80.25584 478.36198
2115.0000 -81.77643 -80.03932 1.73711 1.91455 -80.20668 506.68347
2120.0000 -82.24067 -80.02142 2.21925 1.93742 -79.96661 518.10387
2125.0000 -82.35206 -80.13979 2.21226 1.91724 -80.17835 511.59020
2130.0000 -82.41213 -79.99921 2.41292 1.94378 -79.89986 519.82296
2135.0000 -81.68745 -79.71433 1.97312 1.96463 -79.68105 581.50000
2140.0000 -82.32375 -79.74745 2.57630 1.92928 -80.05202 523.20643
2145.0000 -81.93187 -80.13149 1.80039 1.94680 -79.86817 555.56357
2150.0000 -82.14308 -79.39280 2.75028 1.91924 -80.15738 534.89486
2155.0000 -82.50994 -80.02594 2.48400 2.00977 -79.20731 596.31237
2160.0000 -82.03055 -79.47864 2.55190 1.98287 -79.48964 580.66888
2165.0000 -81.87860 -79.63010 2.24850 1.96312 -79.69687 544.52740
2170.0000 -82.00745 -79.82626 2.18118 1.96929 -79.63211 541.63143
2175.0000 -81.56230 -79.23066 2.33164 1.99110 -79.40321 576.01756
2180.0000 -82.18551 -79.39519 2.79032 1.96073 -79.72194 558.48723
2185.0000 -81.80960 -79.66271 2.14689 1.94829 -79.85255 529.06610
2190.0000 -81.87117 -80.10320 1.76797 1.92383 -80.10928 481.27903
2195.0000 -82.17678 -79.76801 2.40878 1.94038 -79.93559 478.47061
2200.0000 -82.19773 -79.83909 2.35864 1.98185 -79.50030 566.12058
2205.0000 -83.28344 -79.92292 3.36051 1.97034 -79.62117 589.47271
2210.0000 -81.58400 -79.38361 2.20039 1.98187 -79.50007 565.41698
2215.0000 -83.15447 -80.06726 3.08721 1.96166 -79.71216 559.11596
2220.0000 -82.07257 -79.16803 2.90454 1.96571 -79.66970 555.63583
2225.0000 -82.54560 -80.63754 1.90807 1.92943 -80.05047 522.25200
2230.0000 -82.66754 -80.31390 2.35364 1.87927 -80.57689 499.02845
2235.0000 -82.84506 -80.59473 2.25032 1.88782 -80.48718 510.94530
2240.0000 -83.00396 -81.17541 1.82855 1.84190 -80.96915 450.14021
2245.0000 -82.64144 -80.48769 2.15376 1.87169 -80.65650 478.01383
2250.0000 -82.45205 -80.58048 1.87158 1.83598 -81.03127 425.25248
MELTING PROCESS: loop number 10 T-loop= 563.00000000000000
main_MD> interactions number 10 at Temperature= 563.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.32833 -4.38415 -1.57205
force_rgl> df(natom) -2.12455 0.41052 -0.40050
2255.0000 -82.60121 -80.29717 2.30404 1.90485 -80.30840 503.34289
2260.0000 -82.90482 -80.88302 2.02180 1.89478 -80.41417 506.90454
2265.0000 -83.38486 -81.02322 2.36164 1.84317 -80.95583 441.42278
2270.0000 -82.27828 -79.75495 2.52333 1.94103 -79.92871 527.12287
2275.0000 -82.25979 -79.58298 2.67680 1.95104 -79.82364 518.13769
2280.0000 -82.33543 -80.22209 2.11334 1.93669 -79.97424 513.68694
2285.0000 -82.31485 -80.26520 2.04965 1.88706 -80.49519 484.93359
2290.0000 -82.20132 -80.15122 2.05010 1.90722 -80.28354 498.66084
2295.0000 -81.39808 -79.05583 2.34224 1.96923 -79.63274 545.20813
2300.0000 -81.79528 -79.37214 2.42314 1.98514 -79.46582 556.27591
2305.0000 -82.52303 -80.23005 2.29297 1.97464 -79.57596 573.59245
2310.0000 -82.37046 -80.05437 2.31609 1.91631 -80.18820 520.88116
2315.0000 -82.73137 -79.80777 2.92360 1.95413 -79.79127 577.64462
2320.0000 -82.92234 -79.90920 3.01314 1.94904 -79.84465 560.77161
2325.0000 -82.45118 -80.27086 2.18031 1.90773 -80.27820 512.37096
2330.0000 -82.33716 -79.56888 2.76828 1.95785 -79.75221 565.48850
2335.0000 -81.76822 -79.45425 2.31398 1.98275 -79.49088 552.95007
2340.0000 -81.79266 -79.71294 2.07972 1.99344 -79.37873 572.27116
2345.0000 -81.07117 -78.14187 2.92930 2.02025 -79.09732 609.83933
2350.0000 -81.57364 -79.03668 2.53696 2.09393 -78.32403 674.26534
2355.0000 -82.09029 -79.24298 2.84731 1.98351 -79.48290 573.82455
2360.0000 -82.75502 -80.38891 2.36610 1.97978 -79.52202 567.94438
2365.0000 -81.73694 -79.26531 2.47162 1.98068 -79.51261 571.18057
2370.0000 -81.96076 -79.05681 2.90395 2.04568 -78.83041 645.62925
2375.0000 -81.76485 -79.38404 2.38081 2.01328 -79.17042 601.22117
2380.0000 -81.63370 -79.36030 2.27340 1.96585 -79.66821 548.49257
2385.0000 -82.20329 -79.97280 2.23048 1.98806 -79.43519 574.19589
2390.0000 -82.78838 -80.27571 2.51267 1.93185 -80.02504 521.03513
2395.0000 -82.30228 -80.06573 2.23655 1.93422 -80.00022 538.62623
2400.0000 -82.29398 -79.83013 2.46385 1.91174 -80.23608 506.21387
2405.0000 -82.43237 -80.17267 2.25970 1.94556 -79.88123 557.71045
2410.0000 -81.84310 -79.75279 2.09031 1.92119 -80.13694 519.68749
2415.0000 -82.62353 -79.88583 2.73770 1.93243 -80.01902 534.21841
2420.0000 -82.51494 -80.40968 2.10526 1.94751 -79.86076 543.05877
2425.0000 -82.82488 -80.55070 2.27418 1.88801 -80.48520 487.61069
2430.0000 -82.53826 -80.14089 2.39737 1.90325 -80.32525 501.39204
2435.0000 -82.16854 -79.58286 2.58568 1.92324 -80.11544 524.76102
2440.0000 -81.69948 -79.44134 2.25814 1.99526 -79.35954 599.54605
2445.0000 -82.39175 -79.93248 2.45927 1.97101 -79.61410 565.67159
2450.0000 -82.40244 -79.75357 2.64887 1.95524 -79.77958 540.17504
2455.0000 -81.87843 -79.42940 2.44903 1.97660 -79.55538 575.54653
2460.0000 -81.89588 -79.38224 2.51365 2.00047 -79.30487 586.05713
2465.0000 -81.32843 -78.64551 2.68292 2.03323 -78.96108 615.17735
2470.0000 -81.11924 -78.79623 2.32301 2.05806 -78.70054 601.06662
2475.0000 -82.36845 -80.48222 1.88623 1.96623 -79.66427 543.25208
2480.0000 -82.74968 -80.21553 2.53415 1.92343 -80.11339 502.26197
2485.0000 -81.87215 -79.72420 2.14795 1.95676 -79.76362 538.87504
2490.0000 -82.12710 -79.59185 2.53525 1.98303 -79.48788 590.92104
2495.0000 -81.85593 -79.69001 2.16592 1.98582 -79.45867 604.03280
2500.0000 -81.37163 -78.64330 2.72833 2.00389 -79.26896 591.14746
MELTING PROCESS: loop number 11 T-loop= 588.00000000000000
main_MD> interactions number 11 at Temperature= 588.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.28403 3.25752 4.78584
force_rgl> df(natom) -1.03660 3.47823 0.17083
2505.0000 -81.59771 -78.79350 2.80421 2.03974 -78.89281 612.54693
2510.0000 -82.51540 -80.24658 2.26882 2.01074 -79.19709 618.96965
2515.0000 -82.82341 -80.84279 1.98062 1.87177 -80.65559 481.64011
2520.0000 -82.56274 -80.35701 2.20573 1.89772 -80.38332 517.55371
2525.0000 -82.49111 -79.62179 2.86932 1.95597 -79.77193 578.36623
2530.0000 -81.98873 -79.69961 2.28912 1.98165 -79.50243 600.62840
2535.0000 -81.66712 -78.98103 2.68610 1.98677 -79.44868 544.39729
2540.0000 -82.10729 -79.24341 2.86388 2.03641 -78.92769 602.46596
2545.0000 -82.15092 -78.93583 3.21508 2.01284 -79.17508 612.07518
2550.0000 -81.85677 -79.68133 2.17544 2.01726 -79.12869 594.41456
2555.0000 -81.68943 -79.70771 1.98172 1.96621 -79.66447 550.34298
2560.0000 -81.69011 -79.30201 2.38810 1.99103 -79.40392 553.78948
2565.0000 -82.09999 -79.96224 2.13775 1.96629 -79.66358 524.91517
2570.0000 -82.32301 -79.57927 2.74374 1.94804 -79.85519 514.60678
2575.0000 -81.77825 -79.29653 2.48171 2.00136 -79.29560 580.17202
2580.0000 -81.62548 -79.08468 2.54080 2.03148 -78.97949 596.16696
2585.0000 -82.65058 -79.63655 3.01403 1.98891 -79.42625 588.21681
2590.0000 -81.77739 -79.00234 2.77505 1.99205 -79.39331 595.40147
2595.0000 -82.59235 -79.77281 2.81953 2.01798 -79.12110 619.87420
2600.0000 -82.13191 -79.97617 2.15574 1.96604 -79.66619 567.42800
2605.0000 -80.97111 -79.02388 1.94723 1.97219 -79.60166 554.88070
2610.0000 -82.12766 -79.97767 2.14999 1.97367 -79.58618 569.60618
2615.0000 -82.54632 -79.25635 3.28997 1.96787 -79.64702 561.25501
2620.0000 -82.30768 -79.67738 2.63030 1.99233 -79.39034 599.16434
2625.0000 -81.89610 -78.58386 3.31224 2.00963 -79.20878 631.73551
2630.0000 -82.59035 -79.97052 2.61983 2.02900 -79.00545 613.25062
2635.0000 -81.94234 -79.27861 2.66373 1.96203 -79.70836 544.96396
2640.0000 -81.65090 -78.68342 2.96748 2.03973 -78.89290 630.92052
2645.0000 -82.52115 -79.15632 3.36483 2.02331 -79.06523 603.31481
2650.0000 -81.65786 -79.44037 2.21749 1.99030 -79.41167 543.15101
2655.0000 -81.75713 -79.43901 2.31813 1.96729 -79.65317 543.93344
2660.0000 -82.38981 -79.57341 2.81640 1.98523 -79.46488 586.72203
2665.0000 -81.84728 -79.25586 2.59142 1.98437 -79.47387 589.26341
2670.0000 -81.42791 -79.12144 2.30647 2.01424 -79.16039 621.63753
2675.0000 -81.60682 -79.17325 2.43357 2.02282 -79.07032 579.19183
2680.0000 -81.77311 -79.56610 2.20701 1.99731 -79.33807 574.15910
2685.0000 -81.61772 -79.24159 2.37613 1.99963 -79.31376 568.74258
2690.0000 -82.22432 -79.77713 2.44719 1.97346 -79.58841 546.54465
2695.0000 -81.76840 -78.36772 3.40068 2.03320 -78.96142 626.63649
2700.0000 -81.36427 -78.06642 3.29785 2.11326 -78.12119 685.46585
2705.0000 -81.40758 -78.50866 2.89892 2.13557 -77.88698 722.73653
2710.0000 -81.72891 -79.31785 2.41106 2.02786 -79.01740 620.68269
2715.0000 -82.16032 -79.28307 2.87725 2.04247 -78.86406 605.52535
2720.0000 -81.60555 -79.50680 2.09875 2.02590 -79.03796 594.45704
2725.0000 -81.23660 -78.15271 3.08389 2.08282 -78.44063 619.25511
2730.0000 -81.73472 -78.97880 2.75592 2.05839 -78.69698 631.11431
2735.0000 -81.44205 -78.85345 2.58860 2.04055 -78.88431 599.32074
2740.0000 -81.16687 -78.78689 2.37997 2.04427 -78.84518 618.00490
2745.0000 -80.16905 -77.04593 3.12312 2.12504 -77.99752 669.12275
2750.0000 -80.30511 -78.11088 2.19423 2.13669 -77.87527 652.81423
MELTING PROCESS: loop number 12 T-loop= 613.00000000000000
main_MD> interactions number 12 at Temperature= 613.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.01197 0.70363 -2.41359
force_rgl> df(natom) -0.35529 -1.61056 -2.30466
2755.0000 -81.84315 -79.33305 2.51010 2.03293 -78.96422 586.15922
2760.0000 -81.15618 -78.70833 2.44784 2.03621 -78.92983 615.64030
2765.0000 -82.16957 -78.49567 3.67390 2.08942 -78.37132 677.00393
2770.0000 -81.32489 -78.54592 2.77897 2.05586 -78.72353 637.44870
2775.0000 -80.63423 -77.58384 3.05039 2.13721 -77.86985 698.20450
2780.0000 -81.60376 -78.71077 2.89299 2.12419 -78.00648 708.01580
2785.0000 -81.30934 -78.58559 2.72374 2.04035 -78.88631 650.33989
2790.0000 -81.02717 -78.96869 2.05848 2.06272 -78.65160 617.13324
2795.0000 -81.47256 -78.75704 2.71552 2.04340 -78.85434 582.52843
2800.0000 -80.74263 -78.32057 2.42207 2.08213 -78.44783 641.92233
2805.0000 -81.71470 -79.14547 2.56923 2.07183 -78.55594 645.86183
2810.0000 -81.84878 -78.45287 3.39591 2.02725 -79.02387 625.40873
2815.0000 -81.90439 -79.57602 2.32837 1.98498 -79.46743 563.74037
2820.0000 -82.13475 -79.53019 2.60455 1.95172 -79.81650 515.71312
2825.0000 -81.81053 -79.32419 2.48634 1.99256 -79.38796 554.64965
2830.0000 -81.36344 -78.29932 3.06412 2.05349 -78.74847 619.94305
2835.0000 -81.73394 -78.82065 2.91329 2.07992 -78.47104 681.02504
2840.0000 -82.29916 -79.69392 2.60524 2.00988 -79.20616 615.14699
2845.0000 -82.30205 -79.42788 2.87417 1.95847 -79.74571 575.83312
2850.0000 -82.35736 -79.44042 2.91694 1.99239 -79.38972 588.26514
2855.0000 -81.37830 -78.69466 2.68364 2.04779 -78.80824 639.96703
2860.0000 -82.00096 -79.49243 2.50853 1.98950 -79.42001 590.30792
2865.0000 -82.49546 -79.82426 2.67120 1.95491 -79.78309 555.05888
2870.0000 -82.19720 -79.14414 3.05306 1.97045 -79.61993 545.04497
2875.0000 -82.60680 -80.05893 2.54787 1.97873 -79.53306 586.69872
2880.0000 -81.93341 -79.52203 2.41138 1.95341 -79.79876 562.95641
2885.0000 -82.14637 -79.70451 2.44186 1.96147 -79.71415 572.17298
2890.0000 -82.06844 -79.34768 2.72076 1.96182 -79.71058 559.23575
2895.0000 -81.96658 -79.60948 2.35710 2.00421 -79.26568 617.87747
2900.0000 -82.44065 -80.22104 2.21961 1.98881 -79.42730 588.72452
2905.0000 -82.25807 -79.52436 2.73371 1.92424 -80.10492 522.77578
2910.0000 -81.35775 -78.83622 2.52154 2.02154 -79.08377 627.49803
2915.0000 -81.65720 -79.17389 2.48331 2.04792 -78.80691 637.96535
2920.0000 -81.05701 -78.15355 2.90346 2.05190 -78.76515 595.79883
2925.0000 -82.23018 -78.88868 3.34150 2.09801 -78.28122 657.87856
2930.0000 -81.56399 -78.23206 3.33193 2.09372 -78.32625 651.53190
2935.0000 -81.00847 -78.28680 2.72167 2.08663 -78.40068 632.66995
2940.0000 -81.91737 -79.89319 2.02418 2.01569 -79.14521 603.63439
2945.0000 -82.45473 -80.19695 2.25778 1.92767 -80.06899 513.69508
2950.0000 -80.97283 -78.65307 2.31977 1.99843 -79.32635 577.40219
2955.0000 -81.49334 -78.74549 2.74785 2.05679 -78.71380 636.15812
2960.0000 -81.93358 -79.29502 2.63856 2.05757 -78.70567 660.32866
2965.0000 -81.57251 -78.47303 3.09948 2.05088 -78.77587 641.22951
2970.0000 -81.31896 -79.01488 2.30408 2.04999 -78.78523 599.68962
2975.0000 -81.44942 -79.18270 2.26672 2.02840 -79.01181 611.52900
2980.0000 -81.68449 -79.27663 2.40786 2.00978 -79.20717 597.00872
2985.0000 -81.84017 -79.12102 2.71915 1.95446 -79.78774 504.29033
2990.0000 -81.69583 -78.88192 2.81390 2.00284 -79.28004 585.96338
2995.0000 -80.60837 -77.44729 3.16108 2.12949 -77.95081 669.15114
3000.0000 -81.71828 -79.20618 2.51210 2.08379 -78.43047 655.52411
MELTING PROCESS: loop number 13 T-loop= 638.00000000000000
main_MD> interactions number 13 at Temperature= 638.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.13059 -3.59708 5.22979
force_rgl> df(natom) 1.24525 0.51022 -1.89965
3005.0000 -81.47943 -78.71289 2.76654 1.99872 -79.32327 578.83889
3010.0000 -80.59261 -77.58145 3.01116 2.08123 -78.45727 638.71605
3015.0000 -81.96752 -78.88158 3.08594 2.05771 -78.70416 612.61883
3020.0000 -81.27905 -78.51844 2.76061 2.04798 -78.80633 641.80798
3025.0000 -81.67884 -79.42494 2.25390 2.02533 -79.04400 602.59119
3030.0000 -81.51883 -78.80284 2.71599 2.05560 -78.72630 656.11997
3035.0000 -81.86525 -79.02748 2.83777 2.05082 -78.77643 662.85043
3040.0000 -81.61098 -78.70660 2.90438 2.09224 -78.34173 683.31086
3045.0000 -81.77472 -78.99231 2.78241 1.99792 -79.33165 590.55987
3050.0000 -81.63254 -79.02302 2.60952 2.06763 -78.60002 654.29998
3055.0000 -82.22624 -79.31851 2.90773 1.98806 -79.43518 588.85480
3060.0000 -81.66028 -78.59810 3.06218 2.02947 -79.00050 611.34470
3065.0000 -82.21939 -79.17773 3.04166 2.03155 -78.97875 626.90879
3070.0000 -81.14990 -78.13485 3.01505 2.08178 -78.45156 673.82051
3075.0000 -80.75885 -77.90141 2.85744 2.09598 -78.30249 642.88855
3080.0000 -80.72471 -78.13431 2.59040 2.12045 -78.04568 673.08098
3085.0000 -82.35160 -79.52763 2.82397 2.02889 -79.00659 600.11851
3090.0000 -81.98345 -78.81341 3.17003 2.01649 -79.13675 620.56181
3095.0000 -82.19497 -79.35320 2.84177 2.03361 -78.95707 658.38851
3100.0000 -81.82135 -79.77285 2.04850 2.01212 -79.18265 604.51597
3105.0000 -82.11059 -79.90288 2.20772 1.94818 -79.85371 573.40897
3110.0000 -81.77250 -78.94186 2.83065 1.99990 -79.31088 573.19205
3115.0000 -81.37497 -78.35048 3.02449 2.04599 -78.82717 662.43828
3120.0000 -80.70519 -77.28960 3.41559 2.16655 -77.56188 698.20542
3125.0000 -82.17362 -79.27327 2.90035 2.09539 -78.30873 634.12348
3130.0000 -81.90228 -78.97404 2.92824 2.04202 -78.86878 619.26243
3135.0000 -82.39109 -79.38961 3.00148 2.04091 -78.88044 607.47567
3140.0000 -81.05816 -78.43854 2.61962 2.06589 -78.61833 634.68286
3145.0000 -81.73897 -78.83553 2.90343 2.05569 -78.72539 640.19612
3150.0000 -81.39971 -78.66323 2.73648 2.05569 -78.72541 632.53859
3155.0000 -81.03704 -79.04018 1.99685 2.03332 -78.96012 618.52737
3160.0000 -80.27767 -77.93950 2.33817 2.11164 -78.13815 686.76023
3165.0000 -81.47521 -79.00957 2.46563 2.08204 -78.44876 667.59116
3170.0000 -81.55381 -78.46918 3.08463 2.03187 -78.97540 600.02860
3175.0000 -81.52505 -79.52790 1.99716 2.03808 -78.91018 596.46791
3180.0000 -81.94375 -79.86280 2.08096 1.95903 -79.73981 550.84025
3185.0000 -82.22594 -79.61617 2.60976 1.96554 -79.67148 590.06092
3190.0000 -81.29702 -78.75941 2.53761 2.00582 -79.24872 615.28447
3195.0000 -81.08343 -77.72994 3.35349 2.07745 -78.49701 667.62908
3200.0000 -81.04740 -77.86213 3.18527 2.16805 -77.54616 766.37174
3205.0000 -81.42197 -78.04359 3.37839 2.15615 -77.67097 722.36333
3210.0000 -81.83306 -78.92551 2.90755 2.05472 -78.73559 623.80977
3215.0000 -81.39462 -78.13135 3.26328 2.05101 -78.77451 671.07239
3220.0000 -81.27821 -78.21014 3.06807 2.12291 -78.01988 692.28261
3225.0000 -81.91497 -78.70934 3.20563 2.07030 -78.57208 630.00861
3230.0000 -81.06858 -78.43020 2.63838 2.06300 -78.64860 681.72421
3235.0000 -81.31200 -78.82904 2.48296 2.09523 -78.31041 653.92832
3240.0000 -81.08612 -78.47973 2.60639 2.08698 -78.39695 632.35103
3245.0000 -81.43435 -77.83039 3.60395 2.05012 -78.78382 638.77798
3250.0000 -80.99201 -78.29555 2.69647 2.09968 -78.26364 692.77251
MELTING PROCESS: loop number 14 T-loop= 663.00000000000000
main_MD> interactions number 14 at Temperature= 663.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.08746 2.75955 -2.92067
force_rgl> df(natom) 1.73698 2.74356 0.23036
3255.0000 -81.46894 -78.15645 3.31250 2.12434 -78.00486 721.90754
3260.0000 -81.53683 -78.64207 2.89476 2.09977 -78.26275 685.23212
3265.0000 -80.86274 -78.21495 2.64779 2.03944 -78.89586 616.99693
3270.0000 -80.89123 -77.63197 3.25927 2.11186 -78.13587 644.95161
3275.0000 -82.06897 -79.57671 2.49226 2.04384 -78.84970 635.77448
3280.0000 -81.84775 -79.16474 2.68301 1.98696 -79.44672 577.61805
3285.0000 -82.52466 -79.94246 2.58220 2.00584 -79.24853 628.02734
3290.0000 -82.73266 -79.59046 3.14221 1.97023 -79.62228 624.00804
3295.0000 -80.98505 -78.67115 2.31391 2.03789 -78.91213 637.16711
3300.0000 -81.60993 -77.67670 3.93323 2.08495 -78.41823 675.15124
3305.0000 -81.51977 -78.50693 3.01284 2.09517 -78.31100 669.85079
3310.0000 -82.15581 -79.50811 2.64769 2.04974 -78.78785 647.67583
3315.0000 -81.26869 -78.92682 2.34187 1.97999 -79.51981 603.46852
3320.0000 -81.05012 -77.70980 3.34032 2.10637 -78.19348 694.48052
3325.0000 -81.71401 -78.84731 2.86669 2.11964 -78.05421 724.87162
3330.0000 -80.94517 -78.14555 2.79962 2.06560 -78.62130 656.18173
3335.0000 -81.19653 -78.31370 2.88284 2.09132 -78.35141 637.85775
3340.0000 -80.19370 -76.87793 3.31577 2.16226 -77.60692 716.92823
3345.0000 -80.95566 -78.19684 2.75882 2.17297 -77.49454 720.44075
3350.0000 -80.78433 -77.68481 3.09952 2.14076 -77.83256 695.99815
3355.0000 -81.40557 -77.93038 3.47519 2.15126 -77.72236 721.61099
3360.0000 -81.25010 -78.20175 3.04835 2.15698 -77.66228 740.40789
3365.0000 -81.69116 -78.79448 2.89668 2.05863 -78.69447 622.66296
3370.0000 -81.13301 -78.18678 2.94623 2.09695 -78.29230 656.22249
3375.0000 -80.27190 -76.94360 3.32830 2.16988 -77.52697 750.64543
3380.0000 -81.25764 -78.21886 3.03878 2.12819 -77.96449 705.24005
3385.0000 -80.94104 -77.69305 3.24799 2.11334 -78.12028 684.32541
3390.0000 -81.31010 -78.61001 2.70010 2.07506 -78.52203 644.05933
3395.0000 -81.47182 -78.32382 3.14800 2.10354 -78.22315 652.36293
3400.0000 -81.62836 -78.05826 3.57010 2.12770 -77.96957 676.47250
3405.0000 -81.26949 -78.13738 3.13211 2.08791 -78.38716 638.76505
3410.0000 -81.18979 -78.54039 2.64940 2.07556 -78.51682 661.24727
3415.0000 -80.90500 -77.22972 3.67528 2.15227 -77.71176 741.35987
3420.0000 -82.07084 -79.30629 2.76455 2.08846 -78.38142 703.15268
3425.0000 -80.55050 -77.29794 3.25255 2.09046 -78.36043 668.26136
3430.0000 -80.64761 -77.64411 3.00349 2.14009 -77.83952 682.06017
3435.0000 -80.42418 -77.93079 2.49340 2.13219 -77.92244 717.15106
3440.0000 -81.68175 -78.66481 3.01694 2.10150 -78.24459 687.57502
3445.0000 -81.14585 -79.01698 2.12887 2.10728 -78.18388 666.60103
3450.0000 -81.74079 -78.72308 3.01770 2.03173 -78.97686 589.67565
3455.0000 -80.75988 -77.60105 3.15883 2.14338 -77.80509 722.76842
3460.0000 -80.52940 -77.62835 2.90105 2.14492 -77.78887 701.98993
3465.0000 -81.38094 -78.43358 2.94736 2.14411 -77.79735 707.65655
3470.0000 -82.26481 -79.35567 2.90914 2.03471 -78.94555 629.00051
3475.0000 -81.61286 -79.09731 2.51555 2.04753 -78.81102 637.66995
3480.0000 -81.47205 -77.81039 3.66166 2.06689 -78.60786 657.87981
3485.0000 -81.51951 -78.36202 3.15749 2.13779 -77.86372 702.92177
3490.0000 -81.42286 -78.27202 3.15084 2.07879 -78.48289 660.77873
3495.0000 -81.39912 -79.13910 2.26002 2.02148 -79.08440 598.43049
3500.0000 -81.47659 -78.08310 3.39349 2.05400 -78.74312 614.90317
MELTING PROCESS: loop number 15 T-loop= 688.00000000000000
main_MD> interactions number 15 at Temperature= 688.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.10170 -1.71287 -0.43180
force_rgl> df(natom) 1.59184 -1.61480 -0.28750
3505.0000 -80.70920 -78.51514 2.19406 2.11773 -78.07427 706.46180
3510.0000 -81.66298 -78.49048 3.17250 2.07912 -78.47949 667.77322
3515.0000 -80.59041 -78.34102 2.24939 2.09127 -78.35194 660.70000
3520.0000 -80.69520 -77.88447 2.81073 2.10185 -78.24091 669.12422
3525.0000 -80.70041 -78.04829 2.65213 2.13063 -77.93884 630.15990
3530.0000 -80.53781 -77.80241 2.73540 2.12010 -78.04940 654.47519
3535.0000 -81.07298 -77.83328 3.23970 2.19539 -77.25918 755.97012
3540.0000 -81.19489 -78.13959 3.05530 2.13654 -77.87685 737.73331
3545.0000 -81.32495 -78.22515 3.09980 2.08729 -78.39373 656.08628
3550.0000 -81.26529 -78.51807 2.74722 2.08974 -78.36797 686.93260
3555.0000 -81.99040 -78.72395 3.26645 2.08950 -78.37048 652.19663
3560.0000 -81.97566 -79.29773 2.67793 2.05889 -78.69176 629.41566
3565.0000 -81.49314 -78.03534 3.45781 2.09869 -78.27406 698.36757
3570.0000 -80.81133 -78.23636 2.57497 2.13354 -77.90830 719.02074
3575.0000 -80.71194 -78.38607 2.32587 2.10146 -78.24497 650.63877
3580.0000 -80.51085 -77.10371 3.40715 2.15324 -77.70154 702.97994
3585.0000 -81.22811 -78.28060 2.94752 2.08963 -78.36917 688.69482
3590.0000 -81.64417 -78.57936 3.06480 2.08705 -78.39627 652.68241
3595.0000 -80.36640 -77.60463 2.76176 2.12627 -77.98462 703.82569
3600.0000 -80.57683 -76.92284 3.65399 2.17864 -77.43503 735.84608
3605.0000 -81.33783 -78.02002 3.31781 2.15968 -77.63398 746.35760
3610.0000 -80.87136 -77.90001 2.97135 2.13010 -77.94446 674.31163
3615.0000 -80.19785 -77.58972 2.60813 2.13205 -77.92392 675.17837
3620.0000 -81.33004 -78.30302 3.02702 2.12928 -77.95305 671.08141
3625.0000 -81.04627 -78.27169 2.77458 2.10754 -78.18119 701.98584
3630.0000 -81.28821 -78.77298 2.51523 2.08003 -78.46989 634.94170
3635.0000 -81.47454 -78.58605 2.88848 2.12568 -77.99082 690.73802
3640.0000 -80.73957 -77.59585 3.14372 2.13043 -77.94093 677.47489
3645.0000 -80.92973 -77.30183 3.62790 2.21653 -77.03737 787.04187
3650.0000 -81.26347 -77.94344 3.32003 2.18322 -77.38691 761.04367
3655.0000 -81.26380 -78.38964 2.87416 2.14212 -77.81825 716.44491
3660.0000 -81.97433 -78.33693 3.63740 2.09998 -78.26054 655.00754
3665.0000 -81.26099 -79.22296 2.03803 2.06435 -78.63446 618.93408
3670.0000 -82.12246 -79.75633 2.36613 2.00363 -79.27175 580.96829
3675.0000 -80.89062 -78.03401 2.85662 2.00457 -79.26190 599.77199
3680.0000 -80.98211 -77.21059 3.77152 2.16013 -77.62928 724.89129
3685.0000 -80.64642 -77.70548 2.94094 2.17314 -77.49267 703.95066
3690.0000 -80.72722 -76.89178 3.83544 2.16726 -77.55445 752.23756
3695.0000 -80.61711 -76.74882 3.86829 2.21105 -77.09482 727.95380
3700.0000 -80.66028 -77.27907 3.38122 2.20836 -77.12310 767.03165
3705.0000 -81.14853 -77.75893 3.38960 2.18271 -77.39230 753.13060
3710.0000 -80.53521 -77.93831 2.59690 2.12931 -77.95271 685.14487
3715.0000 -81.13599 -78.54439 2.59160 2.07900 -78.48074 668.30875
3720.0000 -81.08110 -77.74197 3.33913 2.10502 -78.20759 715.31085
3725.0000 -81.22113 -77.93665 3.28448 2.14488 -77.78932 721.47937
3730.0000 -80.98639 -77.76602 3.22037 2.14658 -77.77146 737.49859
3735.0000 -80.97240 -77.95101 3.02139 2.10795 -78.17683 739.88937
3740.0000 -80.00326 -76.59789 3.40538 2.19686 -77.24380 742.54927
3745.0000 -80.28835 -76.31161 3.97674 2.25429 -76.64106 828.21028
3750.0000 -80.88374 -77.67207 3.21167 2.18867 -77.32968 786.07800
MELTING PROCESS: loop number 16 T-loop= 713.00000000000000
main_MD> interactions number 16 at Temperature= 713.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.37299 -0.16554 0.20733
force_rgl> df(natom) -0.52898 1.00942 -2.22793
3755.0000 -80.99464 -77.91630 3.07834 2.19147 -77.30034 723.17685
3760.0000 -80.91615 -78.39624 2.51991 2.06974 -78.57789 636.14205
3765.0000 -80.16357 -77.67048 2.49310 2.12625 -77.98483 747.01191
3770.0000 -80.66164 -77.88132 2.78032 2.17794 -77.44234 714.24627
3775.0000 -79.98356 -76.76157 3.22199 2.25418 -76.64224 787.25055
3780.0000 -81.49191 -77.32405 4.16785 2.22105 -76.98988 774.70296
3785.0000 -80.68622 -78.22503 2.46119 2.10234 -78.23580 693.81322
3790.0000 -81.88059 -79.18168 2.69890 2.05736 -78.70781 641.82595
3795.0000 -81.91012 -78.73430 3.17582 2.01546 -79.14761 625.83216
3800.0000 -80.96496 -77.79967 3.16529 2.09942 -78.26636 689.41510
3805.0000 -80.02224 -76.84595 3.17629 2.19562 -77.25674 784.49380
3810.0000 -80.87361 -77.85271 3.02091 2.16431 -77.58537 717.31430
3815.0000 -81.36444 -78.66625 2.69819 2.09370 -78.32640 645.20433
3820.0000 -81.53137 -78.27274 3.25862 2.04210 -78.86803 633.40272
3825.0000 -81.30042 -78.72190 2.57852 2.09978 -78.26264 667.82691
3830.0000 -81.30458 -77.84212 3.46247 2.10227 -78.23647 703.40411
3835.0000 -81.07051 -77.37114 3.69937 2.14400 -77.79857 751.74734
3840.0000 -80.17587 -76.65891 3.51696 2.17450 -77.47845 751.28404
3845.0000 -80.48573 -77.48496 3.00077 2.21024 -77.10339 760.06416
3850.0000 -81.43367 -78.73121 2.70245 2.12047 -78.04550 723.79623
3855.0000 -82.19357 -79.80759 2.38598 2.02137 -79.08557 598.61133
3860.0000 -82.07265 -79.29757 2.77509 1.95574 -79.77433 543.73323
3865.0000 -80.44117 -77.87231 2.56886 2.09463 -78.31663 660.03323
3870.0000 -80.81134 -78.06547 2.74587 2.16314 -77.59766 739.50097
3875.0000 -80.11458 -76.71030 3.40428 2.12264 -78.02272 684.58534
3880.0000 -80.68249 -76.55534 4.12715 2.23092 -76.88636 781.10101
3885.0000 -80.73240 -77.86938 2.86302 2.20787 -77.12817 779.76284
3890.0000 -80.72744 -78.19569 2.53174 2.09856 -78.27544 622.11230
3895.0000 -81.22436 -77.44755 3.77681 2.15967 -77.63411 705.24787
3900.0000 -80.65266 -77.24077 3.41189 2.15577 -77.67502 729.50128
3905.0000 -80.06370 -77.08266 2.98103 2.23844 -76.80734 769.67864
3910.0000 -81.15718 -76.78364 4.37354 2.23137 -76.88158 835.23707
3915.0000 -81.80959 -79.04048 2.76911 2.09836 -78.27749 718.26671
3920.0000 -81.89820 -79.08644 2.81176 2.03457 -78.94707 658.91315
3925.0000 -81.93438 -78.79507 3.13931 2.06570 -78.62029 659.37733
3930.0000 -80.84661 -77.81863 3.02798 2.10794 -78.17701 674.79181
3935.0000 -80.94349 -77.98826 2.95523 2.12230 -78.02630 638.72759
3940.0000 -81.93807 -78.91934 3.01874 2.08885 -78.37730 678.01604
3945.0000 -80.58474 -77.43918 3.14555 2.09143 -78.35022 670.51335
3950.0000 -81.31682 -77.89888 3.41794 2.10961 -78.15945 679.30764
3955.0000 -80.89770 -76.66226 4.23544 2.19239 -77.29069 718.43665
3960.0000 -79.61567 -76.81180 2.80387 2.27398 -76.43439 809.38372
3965.0000 -79.41050 -75.82401 3.58649 2.28982 -76.26812 790.30219
3970.0000 -80.63739 -77.65885 2.97854 2.23100 -76.88548 728.38217
3975.0000 -80.16085 -77.18529 2.97555 2.13501 -77.89290 653.24389
3980.0000 -80.20443 -76.71215 3.49228 2.18199 -77.39981 667.05106
3985.0000 -80.36509 -76.48052 3.88457 2.26409 -76.53819 842.30500
3990.0000 -79.90906 -76.44784 3.46123 2.24504 -76.73807 802.18926
3995.0000 -81.42061 -77.92525 3.49536 2.21947 -77.00645 782.04759
4000.0000 -81.37397 -77.96348 3.41050 2.16152 -77.61470 743.19599
MELTING PROCESS: loop number 17 T-loop= 738.00000000000000
main_MD> interactions number 17 at Temperature= 738.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.32938 0.74717 -0.78163
force_rgl> df(natom) -1.37608 0.14422 -1.59606
4005.0000 -80.28133 -77.27016 3.01117 2.13516 -77.89126 719.40081
4010.0000 -79.69105 -76.89436 2.79668 2.22192 -76.98075 739.40587
4015.0000 -80.48496 -76.90932 3.57564 2.26067 -76.57409 859.83744
4020.0000 -80.30479 -77.26578 3.03900 2.20993 -77.10663 781.35897
4025.0000 -80.23602 -77.02695 3.20906 2.21150 -77.09015 768.28422
4030.0000 -80.10601 -76.90963 3.19637 2.20077 -77.20275 731.95946
4035.0000 -79.67837 -76.42068 3.25769 2.26188 -76.56137 838.88177
4040.0000 -80.03118 -76.02563 4.00555 2.26663 -76.51148 819.54961
4045.0000 -80.71629 -78.11418 2.60210 2.23258 -76.86891 779.00626
4050.0000 -80.38248 -77.67408 2.70840 2.14851 -77.75115 711.74182
4055.0000 -81.57625 -77.82231 3.75395 2.12837 -77.96259 716.40743
4060.0000 -80.61785 -77.00762 3.61022 2.17558 -77.46708 777.71715
4065.0000 -81.59980 -77.84676 3.75305 2.16069 -77.62333 705.66339
4070.0000 -80.82299 -77.42311 3.39988 2.12337 -78.01502 665.38441
4075.0000 -80.69588 -77.39465 3.30123 2.20270 -77.18249 705.46593
4080.0000 -80.09167 -76.93083 3.16084 2.20183 -77.19159 748.63085
4085.0000 -81.33527 -78.18293 3.15234 2.17256 -77.49884 736.46922
4090.0000 -80.98888 -78.14478 2.84411 2.11961 -78.05449 704.40654
4095.0000 -80.05950 -76.32756 3.73195 2.17358 -77.48814 740.45745
4100.0000 -81.89110 -78.11158 3.77952 2.20215 -77.18821 758.34096
4105.0000 -81.20469 -78.40147 2.80321 2.09903 -78.27047 696.39975
4110.0000 -81.69508 -78.47401 3.22108 2.06563 -78.62103 677.79459
4115.0000 -80.42462 -77.33342 3.09120 2.11263 -78.12779 731.05739
4120.0000 -81.94134 -78.85127 3.09008 2.09671 -78.29482 697.10227
4125.0000 -80.92931 -76.82442 4.10489 2.12285 -78.02055 711.32178
4130.0000 -79.65123 -76.44255 3.20867 2.22582 -76.93984 805.84587
4135.0000 -79.64463 -75.47525 4.16938 2.29071 -76.25882 845.03922
4140.0000 -81.02584 -75.48158 5.54426 2.37963 -75.32555 892.62918
4145.0000 -80.72866 -76.87692 3.85174 2.25394 -76.64473 807.68282
4150.0000 -80.39921 -77.28350 3.11571 2.18885 -77.32787 746.12152
4155.0000 -80.50623 -76.66729 3.83895 2.19860 -77.22553 757.20463
4160.0000 -80.17990 -76.49817 3.68172 2.25302 -76.65432 784.10688
4165.0000 -80.00281 -76.44233 3.56048 2.25781 -76.60414 776.78623
4170.0000 -80.15350 -76.53271 3.62079 2.29806 -76.18164 841.40078
4175.0000 -80.92322 -77.17099 3.75224 2.27323 -76.44221 828.66110
4180.0000 -80.92378 -77.43730 3.48648 2.19172 -77.29776 723.92661
4185.0000 -81.18407 -78.31415 2.86992 2.14099 -77.83008 717.71405
4190.0000 -80.85361 -77.26170 3.59190 2.12572 -77.99041 715.54399
4195.0000 -81.12166 -78.04835 3.07331 2.12861 -77.96005 675.11618
4200.0000 -81.49342 -77.91204 3.58138 2.15189 -77.71570 745.45890
4205.0000 -81.49098 -78.06920 3.42178 2.13619 -77.88055 710.81173
4210.0000 -80.69666 -77.81312 2.88354 2.12999 -77.94552 692.79067
4215.0000 -80.77385 -77.07245 3.70140 2.16254 -77.60391 709.57457
4220.0000 -81.60465 -77.58049 4.02416 2.12990 -77.94656 727.94265
4225.0000 -80.41376 -77.65869 2.75507 2.09694 -78.29246 670.87778
4230.0000 -80.35229 -76.61546 3.73682 2.15419 -77.69155 703.88878
4235.0000 -80.57182 -76.54513 4.02670 2.26786 -76.49861 850.43531
4240.0000 -81.24969 -78.10264 3.14704 2.14437 -77.79469 704.01454
4245.0000 -80.61186 -77.00410 3.60776 2.20584 -77.14955 773.57621
4250.0000 -80.39153 -77.32123 3.07030 2.21278 -77.07666 759.05867
MELTING PROCESS: loop number 18 T-loop= 763.00000000000000
main_MD> interactions number 18 at Temperature= 763.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.08551 3.12633 -1.39226
force_rgl> df(natom) -5.95807 -3.81132 3.96088
4255.0000 -80.97739 -77.89249 3.08491 2.18717 -77.34543 727.82599
4260.0000 -82.16715 -78.36733 3.79983 2.14477 -77.79042 705.42870
4265.0000 -80.94324 -76.96282 3.98043 2.21992 -77.00178 812.77342
4270.0000 -79.55836 -76.03154 3.52682 2.32418 -75.90756 853.51862
4275.0000 -79.79179 -76.87942 2.91236 2.24834 -76.70349 800.35882
4280.0000 -80.11955 -77.05532 3.06423 2.24344 -76.75493 789.50680
4285.0000 -81.21599 -77.30112 3.91487 2.19881 -77.22333 765.33422
4290.0000 -80.47361 -76.32354 4.15007 2.20404 -77.16838 757.63803
4295.0000 -79.40962 -75.90723 3.50239 2.30135 -76.14713 855.80494
4300.0000 -79.71024 -76.67857 3.03167 2.28683 -76.29955 846.33365
4305.0000 -79.76516 -76.99368 2.77148 2.25956 -76.58574 793.96722
4310.0000 -80.16393 -77.28414 2.87979 2.23256 -76.86908 790.89181
4315.0000 -79.66005 -76.67214 2.98792 2.23018 -76.89409 763.60476
4320.0000 -80.91182 -76.67915 4.23267 2.24540 -76.73429 813.01568
4325.0000 -81.44636 -78.26398 3.18238 2.23495 -76.84398 797.18716
4330.0000 -78.86868 -75.79140 3.07728 2.20295 -77.17990 732.19555
4335.0000 -80.25367 -76.29495 3.95871 2.30021 -76.15909 854.64673
4340.0000 -79.71533 -76.71967 2.99566 2.27614 -76.41173 788.04622
4345.0000 -79.40446 -75.38985 4.01461 2.29789 -76.18350 795.14803
4350.0000 -79.76801 -76.28627 3.48174 2.30354 -76.12416 844.39460
4355.0000 -78.64044 -75.23220 3.40825 2.31835 -75.96870 869.75137
4360.0000 -79.59581 -75.52578 4.07003 2.30975 -76.05899 833.97691
4365.0000 -80.01405 -76.44698 3.56707 2.32276 -75.92239 821.99742
4370.0000 -79.50962 -75.70675 3.80287 2.26203 -76.55975 796.02045
4375.0000 -78.66070 -74.95220 3.70849 2.34337 -75.70617 867.70249
4380.0000 -80.68383 -77.11039 3.57344 2.24908 -76.69572 786.03363
4385.0000 -80.59008 -77.43266 3.15742 2.23329 -76.86139 806.32841
4390.0000 -79.80796 -76.61410 3.19386 2.25030 -76.68289 841.80202
4395.0000 -80.13026 -77.45959 2.67067 2.19593 -77.25351 719.57724
4400.0000 -80.70768 -77.52348 3.18420 2.23005 -76.89542 790.47071
4405.0000 -80.97882 -77.69555 3.28326 2.13213 -77.92310 663.94802
4410.0000 -81.45333 -78.08216 3.37117 2.09241 -78.33996 633.57899
4415.0000 -81.01446 -77.78240 3.23205 2.13101 -77.93488 704.74713
4420.0000 -80.51428 -77.22775 3.28653 2.18549 -77.36311 764.77683
4425.0000 -80.46090 -77.11481 3.34609 2.19123 -77.30290 730.69527
4430.0000 -80.14450 -76.81436 3.33014 2.23508 -76.84270 769.48724
4435.0000 -81.23101 -77.88025 3.35076 2.20852 -77.12137 787.83993
4440.0000 -81.85354 -78.25236 3.60118 2.11033 -78.15192 690.14170
4445.0000 -79.50648 -75.88995 3.61653 2.17463 -77.47709 705.98675
4450.0000 -80.11447 -76.19856 3.91591 2.36588 -75.46986 906.50443
4455.0000 -80.46171 -76.29948 4.16223 2.25624 -76.62059 805.93671
4460.0000 -81.07898 -77.07007 4.00891 2.23816 -76.81033 798.38499
4465.0000 -80.77343 -78.15604 2.61739 2.13417 -77.90176 711.65023
4470.0000 -81.12953 -78.04327 3.08626 2.15552 -77.67763 747.57199
4475.0000 -80.97654 -77.27720 3.69934 2.15271 -77.70709 712.94614
4480.0000 -80.10631 -76.52588 3.58042 2.22180 -76.98202 847.97316
4485.0000 -80.92613 -77.89796 3.02817 2.20789 -77.12806 779.95433
4490.0000 -80.64297 -77.61725 3.02571 2.15384 -77.69532 713.63764
4495.0000 -80.58857 -77.04291 3.54566 2.25062 -76.67951 797.19979
4500.0000 -80.20392 -76.48831 3.71561 2.23471 -76.84656 819.99840
MELTING PROCESS: loop number 19 T-loop= 788.00000000000000
main_MD> interactions number 19 at Temperature= 788.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.27950 0.31320 1.61658
force_rgl> df(natom) -6.45992 -2.48329 0.17339
4505.0000 -79.32868 -75.93402 3.39467 2.27547 -76.41873 808.73120
4510.0000 -80.31485 -77.04371 3.27114 2.21736 -77.02861 757.13366
4515.0000 -80.74299 -77.92681 2.81619 2.19616 -77.25115 747.46430
4520.0000 -80.18037 -77.21972 2.96065 2.13776 -77.86406 713.78876
4525.0000 -80.44567 -77.17391 3.27176 2.17437 -77.47982 767.62724
4530.0000 -80.55842 -76.86889 3.68953 2.22139 -76.98633 802.73089
4535.0000 -79.19571 -75.79988 3.39583 2.25878 -76.59388 792.86746
4540.0000 -79.78235 -76.77182 3.01053 2.27163 -76.45909 843.73971
4545.0000 -79.99090 -76.33004 3.66086 2.27507 -76.42290 843.31153
4550.0000 -80.03754 -76.86534 3.17219 2.22662 -76.93144 766.14880
4555.0000 -79.99167 -76.66371 3.32796 2.27452 -76.42868 802.89972
4560.0000 -80.58447 -77.23981 3.34467 2.20998 -77.10610 776.65640
4565.0000 -79.68692 -75.85713 3.82980 2.26240 -76.55590 827.23280
4570.0000 -79.56665 -75.96288 3.60376 2.32646 -75.88359 905.18767
4575.0000 -80.24701 -75.99861 4.24841 2.30940 -76.06269 842.05673
4580.0000 -81.13074 -77.66807 3.46267 2.23433 -76.85050 797.55356
4585.0000 -80.27084 -76.45271 3.81814 2.16351 -77.59379 731.70890
4590.0000 -80.45098 -77.30790 3.14309 2.22940 -76.90230 784.01918
4595.0000 -80.93443 -77.48649 3.44794 2.16854 -77.54095 726.11158
4600.0000 -79.76898 -76.49798 3.27100 2.19366 -77.27738 760.80571
4605.0000 -81.87234 -78.39919 3.47315 2.16945 -77.53144 745.39888
4610.0000 -79.98001 -76.79380 3.18621 2.14019 -77.83857 728.63748
4615.0000 -80.60325 -77.00792 3.59533 2.26633 -76.51463 840.96567
4620.0000 -80.18228 -75.99772 4.18456 2.26777 -76.49957 814.48796
4625.0000 -80.17274 -76.55712 3.61562 2.28898 -76.27701 870.79409
4630.0000 -79.94356 -76.91751 3.02605 2.21576 -77.04544 751.76076
4635.0000 -80.69042 -77.42817 3.26225 2.18943 -77.32178 762.97421
4640.0000 -80.48632 -77.17539 3.31093 2.18081 -77.41218 731.28675
4645.0000 -80.80521 -77.05147 3.75373 2.20400 -77.16882 791.97883
4650.0000 -81.11218 -77.64012 3.47206 2.16616 -77.56599 710.88365
4655.0000 -80.00896 -77.01036 2.99860 2.12954 -77.95027 683.56222
4660.0000 -79.75678 -75.19423 4.56255 2.31336 -76.02113 842.86992
4665.0000 -79.49069 -75.48544 4.00525 2.41318 -74.97346 958.55937
4670.0000 -79.01302 -76.04813 2.96489 2.35774 -75.55529 850.37197
4675.0000 -80.48563 -75.83324 4.65239 2.31825 -75.96976 849.52895
4680.0000 -80.60839 -77.24243 3.36596 2.29436 -76.22054 847.08554
4685.0000 -79.90470 -76.87507 3.02963 2.24849 -76.70189 811.46316
4690.0000 -80.83614 -76.67131 4.16482 2.21464 -77.05718 784.25999
4695.0000 -80.24643 -76.69443 3.55200 2.23244 -76.87035 802.10306
4700.0000 -80.79312 -76.75763 4.03550 2.24058 -76.78492 761.58289
4705.0000 -80.41577 -77.13068 3.28510 2.20458 -77.16273 747.37006
4710.0000 -80.78869 -77.33826 3.45043 2.21182 -77.08679 779.37389
4715.0000 -80.78417 -77.58525 3.19893 2.21288 -77.07561 761.10175
4720.0000 -80.94432 -78.02957 2.91476 2.12789 -77.96766 696.38362
4725.0000 -81.22786 -77.81671 3.41114 2.11350 -78.11861 686.68133
4730.0000 -80.78322 -77.53085 3.25237 2.13219 -77.92254 710.95931
4735.0000 -79.81867 -76.76710 3.05157 2.22647 -76.93300 819.79111
4740.0000 -80.69341 -78.12567 2.56774 2.18912 -77.32505 735.49814
4745.0000 -80.99456 -77.46015 3.53442 2.12822 -77.96414 687.56430
4750.0000 -81.11109 -77.49425 3.61684 2.19417 -77.27201 774.00563
MELTING PROCESS: loop number 20 T-loop= 813.00000000000000
main_MD> interactions number 20 at Temperature= 813.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.39695 0.03721 -0.36929
force_rgl> df(natom) -5.80509 -1.00964 -0.09720
4755.0000 -80.37679 -76.77344 3.60335 2.25056 -76.68016 800.26007
4760.0000 -80.52104 -77.32645 3.19459 2.19291 -77.28519 782.34141
4765.0000 -81.82669 -78.59500 3.23169 2.13779 -77.86375 738.60412
4770.0000 -80.24001 -76.76538 3.47464 2.16174 -77.61237 791.82762
4775.0000 -79.51118 -76.27846 3.23272 2.21549 -77.04828 775.42700
4780.0000 -80.62871 -77.03892 3.58979 2.26644 -76.51348 804.30913
4785.0000 -79.65222 -76.91534 2.73688 2.23351 -76.85915 780.93655
4790.0000 -81.89441 -78.76399 3.13042 2.12474 -78.00064 707.92072
4795.0000 -81.79608 -78.24011 3.55596 2.09279 -78.33599 693.28255
4800.0000 -80.60289 -77.56317 3.03972 2.17228 -77.50176 742.32483
4805.0000 -79.82002 -76.12432 3.69570 2.23662 -76.82647 772.59759
4810.0000 -79.16200 -75.59739 3.56461 2.31097 -76.04617 876.40810
4815.0000 -79.58734 -75.95536 3.63198 2.35922 -75.53981 872.83125
4820.0000 -80.21091 -75.28115 4.92976 2.37812 -75.34140 917.94635
4825.0000 -80.06605 -76.31932 3.74673 2.27117 -76.46390 805.33597
4830.0000 -80.35139 -75.77750 4.57389 2.29198 -76.24545 832.58154
4835.0000 -81.09768 -78.37038 2.72729 2.19939 -77.21723 779.26068
4840.0000 -80.74291 -77.67431 3.06860 2.11154 -78.13925 701.83722
4845.0000 -79.95339 -76.18610 3.76729 2.19147 -77.30033 746.25866
4850.0000 -80.50972 -77.27261 3.23711 2.25520 -76.63145 817.67022
4855.0000 -81.38781 -78.33767 3.05015 2.12023 -78.04806 698.48540
4860.0000 -79.26952 -75.99035 3.27917 2.28054 -76.36559 856.25828
4865.0000 -80.12027 -76.00050 4.11977 2.30768 -76.08068 873.64380
4870.0000 -79.60050 -76.40690 3.19360 2.29819 -76.18034 843.69981
4875.0000 -79.35497 -76.00853 3.34644 2.30040 -76.15713 814.09220
4880.0000 -80.49951 -77.05627 3.44324 2.26420 -76.53700 837.09727
4885.0000 -79.58922 -76.00283 3.58639 2.26056 -76.57525 835.74397
4890.0000 -80.35442 -76.71307 3.64135 2.30365 -76.12299 845.04304
4895.0000 -81.36752 -77.96317 3.40435 2.20421 -77.16664 753.55454
4900.0000 -80.78905 -78.41621 2.37284 2.08511 -78.41659 648.46236
4905.0000 -81.47652 -77.81738 3.65914 2.12346 -78.01409 679.67853
4910.0000 -80.29713 -77.10674 3.19039 2.15578 -77.67486 687.86994
4915.0000 -80.04447 -76.85563 3.18885 2.25059 -76.67987 810.84261
4920.0000 -80.87008 -77.53714 3.33294 2.21717 -77.03062 804.90895
4925.0000 -80.35544 -76.68989 3.66555 2.23063 -76.88933 773.91279
4930.0000 -80.96660 -77.27294 3.69366 2.20719 -77.13533 803.49631
4935.0000 -80.62276 -76.49523 4.12753 2.22221 -76.97767 839.84462
4940.0000 -80.10584 -76.69344 3.41240 2.22661 -76.93156 803.36419
4945.0000 -80.27455 -76.58467 3.68987 2.20326 -77.17661 780.20888
4950.0000 -80.25437 -75.72968 4.52469 2.30673 -76.09070 883.96798
4955.0000 -81.45586 -76.99640 4.45947 2.27107 -76.46492 808.95421
4960.0000 -81.02938 -76.94776 4.08163 2.21779 -77.02414 808.96003
4965.0000 -80.49972 -76.47551 4.02421 2.28344 -76.33507 829.81686
4970.0000 -80.47877 -77.88138 2.59739 2.25817 -76.60035 829.79164
4975.0000 -79.60367 -75.76331 3.84036 2.22603 -76.93763 795.79397
4980.0000 -79.49707 -75.85913 3.63794 2.36650 -75.46337 902.31389
4985.0000 -79.48665 -75.75240 3.73425 2.34175 -75.72318 914.44252
4990.0000 -80.61482 -77.29909 3.31573 2.28386 -76.33075 889.96457
4995.0000 -80.44997 -77.44814 3.00183 2.22407 -76.95816 789.72559
5000.0000 -80.16332 -77.51931 2.64401 2.16375 -77.59126 715.33487
MELTING PROCESS: loop number 21 T-loop= 838.00000000000000
main_MD> interactions number 21 at Temperature= 838.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.27730 -0.76200 -4.85975
force_rgl> df(natom) 1.33511 2.99042 0.55552
5005.0000 -80.30035 -76.64050 3.65985 2.21687 -77.03373 771.29554
5010.0000 -81.17959 -77.86387 3.31572 2.23607 -76.83226 802.23239
5015.0000 -80.57676 -77.40526 3.17151 2.13037 -77.94160 693.54849
5020.0000 -80.24202 -77.56737 2.67465 2.17095 -77.51566 727.41681
5025.0000 -79.24900 -75.63306 3.61593 2.27546 -76.41891 827.18544
5030.0000 -80.25311 -76.72806 3.52505 2.31695 -75.98345 853.75551
5035.0000 -79.38746 -76.00765 3.37981 2.25976 -76.58360 796.04150
5040.0000 -79.58399 -74.48256 5.10143 2.40458 -75.06375 882.72672
5045.0000 -79.02116 -74.09478 4.92639 2.49767 -74.08670 1048.29876
5050.0000 -79.37546 -74.23203 5.14343 2.50565 -74.00296 1037.38676
5055.0000 -80.16491 -75.27181 4.89310 2.39021 -75.21459 933.52479
5060.0000 -79.97710 -77.05527 2.92183 2.31741 -75.97857 872.55673
5065.0000 -79.65057 -75.65894 3.99163 2.26773 -76.50002 769.71873
5070.0000 -80.33675 -75.61559 4.72116 2.30130 -76.14770 861.55998
5075.0000 -80.44712 -76.04344 4.40368 2.33876 -75.75456 849.78956
5080.0000 -79.08699 -75.22644 3.86056 2.36489 -75.48027 876.72579
5085.0000 -80.45568 -76.40670 4.04898 2.36180 -75.51272 890.05701
5090.0000 -79.81904 -76.27092 3.54812 2.28208 -76.34941 801.79777
5095.0000 -81.01880 -76.80446 4.21435 2.25094 -76.67620 812.24327
5100.0000 -80.53586 -76.56444 3.97142 2.25396 -76.64450 831.42580
5105.0000 -80.67643 -76.42872 4.24771 2.36482 -75.48103 945.77109
5110.0000 -79.94598 -76.74845 3.19753 2.22728 -76.92447 805.71827
5115.0000 -80.16066 -76.81361 3.34706 2.22215 -76.97831 791.65212
5120.0000 -78.68724 -75.07398 3.61326 2.30579 -76.10050 848.17048
5125.0000 -80.29226 -76.38440 3.90786 2.30752 -76.08242 801.02155
5130.0000 -79.90911 -75.98469 3.92443 2.29518 -76.21189 852.90131
5135.0000 -80.52665 -77.52559 3.00106 2.21539 -77.04932 770.61752
5140.0000 -80.89002 -77.53622 3.35380 2.12914 -77.95453 734.21447
5145.0000 -81.04418 -77.93598 3.10820 2.20881 -77.11832 786.83413
5150.0000 -80.95688 -76.95806 3.99881 2.20215 -77.18824 786.44502
5155.0000 -80.72779 -77.44467 3.28311 2.23134 -76.88188 746.17793
5160.0000 -80.37181 -77.06009 3.31173 2.19074 -77.30799 780.25675
5165.0000 -79.06141 -75.84115 3.22025 2.20834 -77.12330 803.88141
5170.0000 -79.56935 -76.03783 3.53153 2.29488 -76.21504 848.13949
5175.0000 -77.89210 -73.64839 4.24371 2.41946 -74.90759 944.50173
5180.0000 -79.33975 -75.75658 3.58317 2.44059 -74.68584 977.93178
5185.0000 -80.53970 -77.12059 3.41911 2.26207 -76.55941 768.82015
5190.0000 -80.59282 -76.28616 4.30666 2.27868 -76.38507 818.52227
5195.0000 -81.06428 -77.22210 3.84218 2.20745 -77.13260 763.08007
5200.0000 -81.11881 -77.36970 3.74911 2.21451 -77.05856 773.63122
5205.0000 -79.72158 -76.18857 3.53301 2.24036 -76.78727 772.33841
5210.0000 -80.75005 -77.66562 3.08442 2.19869 -77.22461 767.68522
5215.0000 -80.47157 -77.21379 3.25778 2.16989 -77.52678 723.19941
5220.0000 -79.98389 -76.09672 3.88717 2.22036 -76.99718 757.15173
5225.0000 -79.61557 -76.93855 2.67702 2.25697 -76.61287 772.12815
5230.0000 -80.90264 -76.93565 3.96700 2.23493 -76.84426 828.24909
5235.0000 -80.53787 -77.45607 3.08180 2.21379 -77.06604 784.81799
5240.0000 -79.82184 -76.47415 3.34769 2.25671 -76.61567 823.77690
5245.0000 -80.22440 -75.03340 5.19100 2.32175 -75.93308 874.09904
5250.0000 -79.60540 -75.58864 4.01676 2.37699 -75.35328 953.01543
MELTING PROCESS: loop number 22 T-loop= 863.00000000000000
main_MD> interactions number 22 at Temperature= 863.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.82979 3.70127 -1.93504
force_rgl> df(natom) 0.04220 -1.35155 -1.30020
5255.0000 -80.64755 -76.79134 3.85621 2.28978 -76.26858 836.46590
5260.0000 -80.80128 -77.10382 3.69745 2.21590 -77.04393 772.70220
5265.0000 -80.05634 -76.29561 3.76073 2.22934 -76.90293 784.56768
5270.0000 -80.69105 -77.12484 3.56621 2.24379 -76.75118 799.38014
5275.0000 -78.74106 -75.21574 3.52533 2.24176 -76.77249 787.07848
5280.0000 -79.43610 -76.13543 3.30068 2.33749 -75.76779 857.87952
5285.0000 -78.38878 -75.38666 3.00212 2.31863 -75.96583 849.37586
5290.0000 -80.48440 -75.95596 4.52844 2.32369 -75.91272 846.36890
5295.0000 -78.78115 -74.02182 4.75934 2.44256 -74.66508 984.91363
5300.0000 -79.41536 -75.76413 3.65122 2.40741 -75.03404 963.92156
5305.0000 -79.73943 -74.84417 4.89526 2.38709 -75.24728 898.16228
5310.0000 -78.50902 -74.71024 3.79877 2.41823 -74.92049 890.96822
5315.0000 -79.48081 -75.76768 3.71313 2.41532 -74.95104 942.29397
5320.0000 -79.68819 -76.39181 3.29638 2.30939 -76.06281 878.25801
5325.0000 -79.22189 -74.72097 4.50092 2.35002 -75.63635 910.67633
5330.0000 -78.81022 -74.08495 4.72527 2.46543 -74.42508 956.20217
5335.0000 -79.01934 -74.79913 4.22021 2.48183 -74.25300 985.74231
5340.0000 -79.95397 -76.45692 3.49705 2.31413 -76.01296 818.07037
5345.0000 -80.37486 -76.17426 4.20061 2.24705 -76.71704 773.16130
5350.0000 -80.14259 -75.86213 4.28046 2.29780 -76.18443 837.01285
5355.0000 -79.69455 -75.70569 3.98887 2.38630 -75.25561 984.63491
5360.0000 -79.90339 -76.43338 3.47001 2.31395 -76.01488 864.45061
5365.0000 -79.63277 -75.95258 3.68019 2.24980 -76.68813 756.68065
5370.0000 -79.23471 -74.95809 4.27662 2.33037 -75.84262 838.55602
5375.0000 -80.43723 -76.93924 3.49799 2.32108 -75.94007 854.71156
5380.0000 -80.19416 -76.65811 3.53605 2.22621 -76.93574 796.80486
5385.0000 -80.01339 -76.58899 3.42440 2.24792 -76.70791 802.72920
5390.0000 -80.57563 -77.38370 3.19193 2.22943 -76.90198 790.38789
5395.0000 -79.74197 -76.72726 3.01471 2.26532 -76.52532 839.73006
5400.0000 -78.95664 -75.80391 3.15273 2.34668 -75.67144 830.14909
5405.0000 -78.98812 -75.48678 3.50134 2.32927 -75.85413 872.08998
5410.0000 -80.04102 -76.15525 3.88577 2.31811 -75.97119 875.29090
5415.0000 -79.93148 -75.94663 3.98485 2.32624 -75.88590 882.85559
5420.0000 -78.77662 -74.53969 4.23693 2.42906 -74.80684 967.46858
5425.0000 -79.81803 -76.15627 3.66177 2.34847 -75.65260 888.04541
5430.0000 -80.87184 -76.87692 3.99492 2.25115 -76.67402 784.80522
5435.0000 -80.08472 -76.24811 3.83661 2.24521 -76.73637 806.98566
5440.0000 -79.13005 -75.64615 3.48390 2.34939 -75.64300 911.63556
5445.0000 -80.43435 -76.65148 3.78287 2.30642 -76.09394 819.89480
5450.0000 -81.09010 -77.80972 3.28038 2.16139 -77.61607 746.55814
5455.0000 -79.98211 -76.35665 3.62546 2.18147 -77.40530 782.69828
5460.0000 -79.61911 -75.97529 3.64382 2.29930 -76.16867 860.63495
5465.0000 -78.70775 -75.43707 3.27067 2.40224 -75.08825 924.19993
5470.0000 -78.61193 -75.26201 3.34992 2.39469 -75.16750 908.19687
5475.0000 -79.79976 -75.26959 4.53016 2.39657 -75.14777 916.41420
5480.0000 -79.44135 -75.50751 3.93384 2.40852 -75.02243 938.15087
5485.0000 -79.37001 -76.77123 2.59878 2.30343 -76.12531 845.34207
5490.0000 -79.29218 -74.98116 4.31102 2.31712 -75.98164 868.34246
5495.0000 -79.48235 -76.01613 3.46622 2.35349 -75.59990 892.45720
5500.0000 -80.39168 -76.11411 4.27757 2.29750 -76.18756 854.43543
MELTING PROCESS: loop number 23 T-loop= 888.00000000000000
main_MD> interactions number 23 at Temperature= 888.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45231 0.71606 -0.35369
force_rgl> df(natom) 1.61595 -0.67482 -1.80152
5505.0000 -80.97120 -76.78089 4.19030 2.24666 -76.72111 822.55432
5510.0000 -79.87084 -75.57248 4.29836 2.31827 -75.96954 855.89182
5515.0000 -78.71898 -74.83134 3.88763 2.35182 -75.61741 870.82067
5520.0000 -79.46098 -75.78677 3.67421 2.39036 -75.21294 912.55222
5525.0000 -79.07758 -75.70906 3.36852 2.33351 -75.80958 877.92535
5530.0000 -78.63819 -76.00638 2.63182 2.32114 -75.93949 820.61758
5535.0000 -79.98225 -77.54644 2.43581 2.29356 -76.22885 812.49582
5540.0000 -80.14821 -76.76877 3.37945 2.19232 -77.29137 733.62809
5545.0000 -80.19580 -76.25557 3.94024 2.25023 -76.68363 805.54359
5550.0000 -79.31644 -75.64879 3.66765 2.29977 -76.16367 849.80813
5555.0000 -78.18265 -74.85292 3.32973 2.40866 -75.02091 931.96996
5560.0000 -78.34841 -74.19826 4.15015 2.51279 -73.92802 982.86698
5565.0000 -78.72026 -74.46560 4.25466 2.54203 -73.62119 1044.29759
5570.0000 -78.94713 -74.86784 4.07929 2.38312 -75.28896 929.06912
5575.0000 -79.60284 -75.33633 4.26651 2.35831 -75.54936 902.80173
5580.0000 -79.72779 -75.95631 3.77148 2.37377 -75.38704 932.84933
5585.0000 -78.12931 -74.41572 3.71359 2.41413 -74.96346 894.55940
5590.0000 -80.25439 -75.88673 4.36766 2.38101 -75.31110 890.32118
5595.0000 -79.82182 -76.69471 3.12712 2.24870 -76.69972 799.53792
5600.0000 -79.72673 -76.22299 3.50374 2.26967 -76.47966 815.40261
5605.0000 -79.61178 -75.49141 4.12037 2.33267 -75.81848 858.23770
5610.0000 -79.60801 -75.38537 4.22264 2.36366 -75.49318 939.03481
5615.0000 -80.06022 -75.28637 4.77385 2.36124 -75.51864 889.30996
5620.0000 -80.12448 -76.43254 3.69194 2.35177 -75.61793 920.21213
5625.0000 -80.11646 -75.95064 4.16581 2.27026 -76.47348 820.89307
5630.0000 -80.12033 -74.99533 5.12500 2.43881 -74.70444 969.25843
5635.0000 -80.00604 -75.66274 4.34330 2.31626 -75.99067 893.52136
5640.0000 -79.63757 -74.95198 4.68559 2.35120 -75.62396 899.89684
5645.0000 -79.15994 -75.46440 3.69555 2.44877 -74.59993 953.06662
5650.0000 -79.39709 -75.54591 3.85118 2.37518 -75.37227 867.91316
5655.0000 -79.22966 -75.76025 3.46942 2.34380 -75.70162 865.34738
5660.0000 -79.40401 -75.65362 3.75039 2.39862 -75.12633 932.94650
5665.0000 -79.46292 -74.69037 4.77255 2.37468 -75.37753 949.34410
5670.0000 -80.05823 -76.42040 3.63783 2.35577 -75.57600 864.65181
5675.0000 -80.42129 -76.85521 3.56607 2.22356 -76.96350 760.01015
5680.0000 -81.87006 -77.38665 4.48341 2.19829 -77.22872 747.00091
5685.0000 -79.12958 -75.75188 3.37770 2.29441 -76.21997 840.64013
5690.0000 -80.58015 -76.89240 3.68775 2.29446 -76.21943 835.57113
5695.0000 -78.67300 -74.87675 3.79625 2.35693 -75.56377 932.79592
5700.0000 -79.81220 -75.65334 4.15886 2.42665 -74.83206 893.53573
5705.0000 -80.95283 -76.32010 4.63273 2.34056 -75.73562 879.44949
5710.0000 -78.28619 -74.78970 3.49649 2.32725 -75.87530 831.93032
5715.0000 -79.90809 -76.60855 3.29954 2.34676 -75.67058 879.21479
5720.0000 -80.22399 -76.40399 3.81999 2.28404 -76.32877 837.77807
5725.0000 -79.83535 -76.65815 3.17720 2.24545 -76.73385 804.23988
5730.0000 -79.94036 -75.90882 4.03154 2.25652 -76.61762 815.25310
5735.0000 -79.80235 -76.81185 2.99049 2.33669 -75.77621 893.66042
5740.0000 -79.50475 -74.78588 4.71887 2.29311 -76.23366 818.11098
5745.0000 -79.73256 -76.91032 2.82224 2.42907 -74.80666 959.93997
5750.0000 -79.69127 -76.52540 3.16587 2.25919 -76.58966 790.17288
MELTING PROCESS: loop number 24 T-loop= 913.00000000000000
main_MD> interactions number 24 at Temperature= 913.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.49731 2.73167 -3.17360
force_rgl> df(natom) 0.22186 1.79256 -1.16986
5755.0000 -78.87094 -75.39060 3.48034 2.35100 -75.62604 861.34891
5760.0000 -79.64685 -75.45955 4.18729 2.37782 -75.34462 855.45306
5765.0000 -79.34286 -75.95311 3.38976 2.30539 -76.10471 863.48049
5770.0000 -79.67501 -75.68065 3.99436 2.40038 -75.10782 939.14705
5775.0000 -78.97162 -74.53540 4.43622 2.40606 -75.04822 923.78540
5780.0000 -80.67931 -75.96916 4.71014 2.37702 -75.35299 931.93444
5785.0000 -79.02888 -74.85959 4.16930 2.35354 -75.59941 842.44342
5790.0000 -79.30245 -74.23628 5.06617 2.43130 -74.78327 919.05553
5795.0000 -78.96124 -75.34874 3.61250 2.46201 -74.46097 973.21418
5800.0000 -78.71049 -74.27743 4.43306 2.43296 -74.76592 959.60599
5805.0000 -79.08332 -74.45611 4.62721 2.49688 -74.09503 1029.75470
5810.0000 -78.50409 -75.44551 3.05857 2.43604 -74.73357 1000.49661
5815.0000 -79.84222 -75.18896 4.65325 2.32415 -75.90786 856.62866
5820.0000 -79.94884 -76.19085 3.75800 2.32165 -75.93408 876.97410
5825.0000 -79.79739 -74.72955 5.06784 2.42725 -74.82580 946.41540
5830.0000 -79.70568 -74.92839 4.77729 2.48617 -74.20747 995.82000
5835.0000 -79.70614 -75.47680 4.22935 2.37281 -75.39716 938.51194
5840.0000 -79.62013 -75.13354 4.48660 2.38196 -75.30114 893.38209
5845.0000 -78.44185 -73.98202 4.45983 2.43274 -74.76815 974.00939
5850.0000 -78.54435 -73.89163 4.65272 2.46223 -74.45873 999.64908
5855.0000 -78.01215 -73.65576 4.35639 2.53591 -73.68540 1007.33317
5860.0000 -79.70494 -75.78222 3.92272 2.36182 -75.51252 914.51154
5865.0000 -79.33157 -75.49396 3.83761 2.36778 -75.44993 905.57106
5870.0000 -78.89886 -74.75482 4.14404 2.40125 -75.09865 934.44397
5875.0000 -79.49663 -75.78015 3.71648 2.37131 -75.41286 900.86248
5880.0000 -80.03657 -75.38438 4.65219 2.38414 -75.27823 907.95779
5885.0000 -79.87520 -75.86278 4.01242 2.36262 -75.50407 928.38584
5890.0000 -80.17560 -76.28296 3.89265 2.31419 -76.01242 879.76990
5895.0000 -80.56506 -76.49612 4.06894 2.27621 -76.41101 845.61144
5900.0000 -79.89021 -75.58973 4.30048 2.29237 -76.24134 823.96658
5905.0000 -80.24729 -76.80131 3.44598 2.27797 -76.39250 829.71682
5910.0000 -79.76950 -75.37184 4.39766 2.27553 -76.41808 828.70659
5915.0000 -80.40337 -76.83566 3.56771 2.28649 -76.30313 832.06937
5920.0000 -79.15900 -75.20284 3.95616 2.38568 -75.26206 951.32385
5925.0000 -79.89170 -75.23923 4.65247 2.37458 -75.37861 891.00977
5930.0000 -79.30001 -73.60558 5.69443 2.45187 -74.56738 979.44970
5935.0000 -77.81170 -73.74863 4.06307 2.55799 -73.45367 1055.29720
5940.0000 -78.11243 -73.80023 4.31220 2.47974 -74.27495 974.49853
5945.0000 -77.87334 -73.60682 4.26652 2.54921 -73.54578 1038.15660
5950.0000 -78.87555 -74.45639 4.41916 2.54268 -73.61439 1056.04638
5955.0000 -79.42512 -74.52468 4.90044 2.46320 -74.44848 940.58173
5960.0000 -77.36813 -72.66300 4.70513 2.52713 -73.77754 1018.89774
5965.0000 -79.06716 -74.39254 4.67463 2.50148 -74.04679 1046.46690
5970.0000 -79.60152 -74.25367 5.34785 2.46557 -74.42364 1026.45171
5975.0000 -80.12651 -75.65860 4.46792 2.43588 -74.73520 955.74388
5980.0000 -79.06946 -75.48785 3.58160 2.32170 -75.93353 894.21843
5985.0000 -79.20978 -74.63444 4.57534 2.39266 -75.18886 926.42608
5990.0000 -78.61949 -75.31430 3.30518 2.37019 -75.42464 911.83205
5995.0000 -80.05564 -75.99598 4.05966 2.35796 -75.55302 908.49200
6000.0000 -79.56728 -75.92411 3.64317 2.33207 -75.82477 888.68719
MELTING PROCESS: loop number 25 T-loop= 938.00000000000000
main_MD> interactions number 25 at Temperature= 938.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.76773 -3.77499 -3.26119
force_rgl> df(natom) -1.51976 -1.93699 -1.49136
6005.0000 -77.09501 -71.69199 5.40302 2.51212 -73.93510 1030.04706
6010.0000 -79.65289 -75.28456 4.36833 2.58713 -73.14788 1109.96962
6015.0000 -79.24601 -76.23831 3.00770 2.36507 -75.47842 895.74537
6020.0000 -77.32049 -72.88432 4.43617 2.47775 -74.29575 1014.50856
6025.0000 -79.53373 -75.81309 3.72064 2.42332 -74.86700 982.24397
6030.0000 -78.92389 -74.54353 4.38036 2.35730 -75.55993 884.49040
6035.0000 -78.83873 -73.97186 4.86687 2.42243 -74.87637 966.17689
6040.0000 -78.55364 -74.92348 3.63016 2.41003 -75.00650 946.09366
6045.0000 -79.32387 -75.97536 3.34851 2.39833 -75.12929 926.27675
6050.0000 -79.65788 -76.56747 3.09041 2.26798 -76.49733 835.25591
6055.0000 -78.79070 -75.26978 3.52092 2.35802 -75.55239 896.59679
6060.0000 -79.61459 -75.59850 4.01608 2.38720 -75.24618 928.16105
6065.0000 -79.71995 -76.66722 3.05273 2.37145 -75.41147 908.18329
6070.0000 -78.55741 -75.15142 3.40598 2.35799 -75.55271 883.63995
6075.0000 -78.45665 -73.22356 5.23309 2.44610 -74.62798 981.55290
6080.0000 -78.63862 -74.64544 3.99318 2.49859 -74.07705 1019.08875
6085.0000 -77.84805 -73.89046 3.95759 2.57316 -73.29443 1079.54424
6090.0000 -78.39952 -74.54172 3.85779 2.46887 -74.38898 965.58553
6095.0000 -78.10374 -74.19978 3.90396 2.48670 -74.20184 957.25487
6100.0000 -78.55993 -74.60375 3.95618 2.48704 -74.19830 1018.44438
6105.0000 -78.88854 -75.23347 3.65506 2.39162 -75.19975 920.28322
6110.0000 -79.13729 -75.33720 3.80009 2.34710 -75.66700 855.89645
6115.0000 -78.87243 -74.77107 4.10137 2.45770 -74.50627 930.64431
6120.0000 -79.45816 -74.79276 4.66539 2.38947 -75.22234 937.96360
6125.0000 -78.89582 -74.43953 4.45630 2.44626 -74.62627 985.35582
6130.0000 -79.72935 -74.63733 5.09202 2.43414 -74.75349 936.78127
6135.0000 -78.56778 -75.06218 3.50561 2.38847 -75.23284 909.32370
6140.0000 -79.79698 -75.14478 4.65221 2.44423 -74.64765 939.36703
6145.0000 -79.48755 -75.35238 4.13516 2.33268 -75.81835 875.49036
6150.0000 -80.43814 -75.54030 4.89784 2.36455 -75.48382 912.98173
6155.0000 -78.89312 -74.97643 3.91670 2.39653 -75.14817 906.01350
6160.0000 -79.57463 -74.78303 4.79160 2.40365 -75.07347 927.07994
6165.0000 -79.94294 -76.74545 3.19749 2.32008 -75.95055 868.21313
6170.0000 -79.61350 -76.07438 3.53912 2.32283 -75.92171 852.75965
6175.0000 -79.34083 -75.28746 4.05337 2.35414 -75.59305 876.88669
6180.0000 -79.58106 -74.56343 5.01763 2.42801 -74.81784 980.71860
6185.0000 -79.24038 -74.76114 4.47924 2.40626 -75.04611 950.93179
6190.0000 -78.41073 -74.10034 4.31040 2.43718 -74.72163 978.82011
6195.0000 -79.69735 -75.60555 4.09180 2.40249 -75.08570 973.74036
6200.0000 -79.53330 -75.23036 4.30294 2.41644 -74.93925 972.46676
6205.0000 -80.17388 -77.31803 2.85585 2.29906 -76.17114 852.74612
6210.0000 -80.33572 -76.71311 3.62260 2.19514 -77.26187 769.42912
6215.0000 -80.00418 -75.98355 4.02063 2.27470 -76.42683 844.06126
6220.0000 -79.71732 -76.53404 3.18329 2.29004 -76.26589 809.56644
6225.0000 -78.13725 -74.19069 3.94656 2.39962 -75.11577 899.05029
6230.0000 -79.74118 -75.67608 4.06510 2.40477 -75.06175 942.54685
6235.0000 -78.56272 -75.06425 3.49848 2.39967 -75.11522 899.93169
6240.0000 -79.45244 -75.92205 3.53039 2.40733 -75.03486 952.37932
6245.0000 -79.46549 -75.26767 4.19781 2.38473 -75.27210 952.83134
6250.0000 -79.10578 -74.72990 4.37587 2.39210 -75.19467 910.58658
MELTING PROCESS: loop number 26 T-loop= 963.00000000000000
main_MD> interactions number 26 at Temperature= 963.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 5.47417 2.54220 5.57349
force_rgl> df(natom) -3.06706 4.09227 -7.40762
6255.0000 -77.92456 -73.09289 4.83166 2.48499 -74.21980 999.67243
6260.0000 -78.47565 -74.37102 4.10463 2.56419 -73.38861 1102.21742
6265.0000 -79.47151 -75.03480 4.43671 2.43647 -74.72902 979.38881
6270.0000 -79.59409 -75.70422 3.88987 2.37907 -75.33151 903.01609
6275.0000 -78.75122 -74.00540 4.74582 2.40431 -75.06654 934.82749
6280.0000 -77.62692 -71.87115 5.75576 2.55825 -73.45091 1065.59721
6285.0000 -78.73814 -74.16941 4.56873 2.60697 -72.93963 1114.09085
6290.0000 -78.26829 -75.52574 2.74255 2.42809 -74.81700 895.25502
6295.0000 -79.22441 -74.57621 4.64819 2.49458 -74.11912 964.56178
6300.0000 -80.26984 -75.90593 4.36392 2.35803 -75.55228 901.99427
6305.0000 -79.28092 -75.05528 4.22564 2.33533 -75.79051 913.55194
6310.0000 -79.55318 -74.99224 4.56094 2.40115 -75.09969 935.20835
6315.0000 -79.15922 -74.77532 4.38390 2.43446 -74.75018 972.03182
6320.0000 -78.69386 -75.08185 3.61201 2.37232 -75.40231 937.05355
6325.0000 -78.31699 -74.08213 4.23486 2.45604 -74.52366 970.08888
6330.0000 -79.39739 -74.25831 5.13909 2.44379 -74.65224 1010.41662
6335.0000 -77.92078 -74.14963 3.77115 2.51168 -73.93973 995.01337
6340.0000 -79.36716 -74.11400 5.25316 2.51547 -73.89989 1074.09222
6345.0000 -78.85598 -74.51657 4.33941 2.46334 -74.44702 1020.77355
6350.0000 -79.09774 -74.33255 4.76519 2.49067 -74.16026 977.78967
6355.0000 -79.60150 -75.75741 3.84409 2.38471 -75.27224 901.60192
6360.0000 -77.95084 -74.56577 3.38507 2.38974 -75.21947 905.97243
6365.0000 -77.03077 -72.31294 4.71783 2.51673 -73.88671 1032.13697
6370.0000 -79.27191 -74.75004 4.52188 2.52550 -73.79468 1035.66251
6375.0000 -77.99364 -73.62769 4.36595 2.46233 -74.45764 989.00176
6380.0000 -78.07688 -72.82148 5.25540 2.52518 -73.79799 998.80193
6385.0000 -79.64496 -75.27054 4.37442 2.51179 -73.93852 1043.92641
6390.0000 -78.52718 -74.68494 3.84225 2.40640 -75.04459 920.69298
6395.0000 -78.23340 -74.35076 3.88265 2.45234 -74.56245 997.06008
6400.0000 -78.76726 -74.55708 4.21018 2.40649 -75.04367 923.27588
6405.0000 -79.08230 -74.33580 4.74650 2.50159 -74.04559 1074.73226
6410.0000 -79.51266 -75.53632 3.97634 2.39964 -75.11558 988.36371
6415.0000 -78.88451 -74.70493 4.17958 2.47731 -74.30042 1027.87173
6420.0000 -79.05773 -74.82389 4.23384 2.41419 -74.96291 940.43567
6425.0000 -79.70033 -75.78847 3.91186 2.44434 -74.64641 943.44932
6430.0000 -78.40112 -74.33112 4.07000 2.37891 -75.33318 913.33807
6435.0000 -79.09802 -74.92630 4.17172 2.47213 -74.35477 959.55334
6440.0000 -79.65463 -75.36727 4.28737 2.38313 -75.28887 892.52110
6445.0000 -78.81403 -74.24255 4.57148 2.46126 -74.46886 948.24441
6450.0000 -78.66036 -74.28720 4.37317 2.48432 -74.22684 962.62098
6455.0000 -79.24896 -75.01477 4.23420 2.47749 -74.29854 994.05490
6460.0000 -78.87961 -75.01336 3.86625 2.39712 -75.14201 897.76644
6465.0000 -77.45703 -73.46138 3.99565 2.42905 -74.80694 963.26175
6470.0000 -77.63533 -73.54931 4.08602 2.51942 -73.85846 997.13264
6475.0000 -78.60644 -73.99763 4.60881 2.49755 -74.08796 977.91561
6480.0000 -76.75065 -73.17184 3.57881 2.51949 -73.85777 980.26436
6485.0000 -78.38819 -74.31380 4.07440 2.52843 -73.76395 988.51566
6490.0000 -78.61604 -73.70630 4.90974 2.46053 -74.47657 950.03003
6495.0000 -78.40098 -74.17919 4.22179 2.45316 -74.55391 945.86604
6500.0000 -78.59695 -74.31313 4.28381 2.49931 -74.06956 1012.00453
MELTING PROCESS: loop number 27 T-loop= 988.00000000000000
main_MD> interactions number 27 at Temperature= 988.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.11971 3.38607 -1.58773
force_rgl> df(natom) 0.19328 -1.97385 -0.90026
6505.0000 -78.82374 -75.11736 3.70639 2.41068 -74.99975 934.20820
6510.0000 -79.59626 -75.89107 3.70520 2.40687 -75.03965 919.03497
6515.0000 -78.96343 -75.98724 2.97619 2.37739 -75.34913 905.26080
6520.0000 -79.02087 -75.50591 3.51496 2.38594 -75.25933 899.41848
6525.0000 -78.20251 -72.88020 5.32231 2.46496 -74.43008 940.05029
6530.0000 -77.81594 -72.70110 5.11484 2.65827 -72.40123 1164.78658
6535.0000 -78.53623 -72.32855 6.20768 2.66279 -72.35378 1128.55453
6540.0000 -77.88524 -73.57346 4.31178 2.63021 -72.69568 1122.04775
6545.0000 -78.48281 -74.21702 4.26579 2.53113 -73.73561 1034.67463
6550.0000 -78.92998 -75.33106 3.59892 2.43764 -74.71674 928.97684
6555.0000 -79.93117 -76.20976 3.72141 2.28572 -76.31113 807.97614
6560.0000 -80.60942 -77.36868 3.24075 2.24581 -76.73001 788.96489
6565.0000 -79.49414 -76.06720 3.42694 2.20494 -77.15892 787.31184
6570.0000 -78.75197 -74.05847 4.69350 2.39984 -75.11353 921.08745
6575.0000 -77.41189 -73.02943 4.38246 2.48510 -74.21862 1024.45328
6580.0000 -77.06943 -71.76827 5.30116 2.67290 -72.24770 1173.22302
6585.0000 -77.00655 -72.18754 4.81901 2.60250 -72.98656 1081.74622
6590.0000 -78.16443 -74.13564 4.02879 2.58087 -73.21352 1111.59282
6595.0000 -79.31878 -74.64571 4.67308 2.45741 -74.50924 1003.55838
6600.0000 -80.52655 -74.70564 5.82092 2.49510 -74.11373 1009.92916
6605.0000 -77.91136 -74.34724 3.56412 2.52810 -73.76742 1062.81414
6610.0000 -78.48321 -73.95047 4.53274 2.48091 -74.26262 1002.80355
6615.0000 -78.61913 -74.91239 3.70674 2.48943 -74.17327 1008.70343
6620.0000 -78.70547 -73.90795 4.79752 2.47020 -74.37501 985.95247
6625.0000 -77.87020 -73.48351 4.38669 2.53452 -73.70005 1006.07885
6630.0000 -79.07750 -74.10057 4.97693 2.51514 -73.90337 1061.75212
6635.0000 -79.39583 -74.25018 5.14565 2.41193 -74.98662 965.43609
6640.0000 -79.56970 -75.56526 4.00443 2.43227 -74.77312 985.27024
6645.0000 -79.81151 -75.05519 4.75632 2.38646 -75.25392 925.42568
6650.0000 -78.27860 -73.66239 4.61622 2.43167 -74.77946 917.43805
6655.0000 -77.49847 -73.70090 3.79757 2.54674 -73.57170 1021.29686
6660.0000 -78.93916 -73.58101 5.35815 2.51464 -73.90862 1007.71474
6665.0000 -77.82125 -73.21621 4.60504 2.51621 -73.89214 1023.23548
6670.0000 -77.07765 -71.95576 5.12190 2.62205 -72.78137 1088.89090
6675.0000 -77.94691 -73.00220 4.94471 2.60370 -72.97396 1042.53121
6680.0000 -78.65294 -73.58340 5.06954 2.56161 -73.41569 1047.83612
6685.0000 -78.48388 -74.18355 4.30032 2.53388 -73.70669 1012.19171
6690.0000 -78.06226 -74.26947 3.79279 2.50936 -73.96401 962.52893
6695.0000 -76.98536 -73.35289 3.63246 2.50620 -73.99725 979.85814
6700.0000 -79.71978 -74.22943 5.49035 2.51444 -73.91073 1017.83157
6705.0000 -78.23136 -73.97985 4.25150 2.49447 -74.12028 1009.55419
6710.0000 -80.16961 -76.01389 4.15572 2.37534 -75.37062 903.85727
6715.0000 -78.34926 -75.28419 3.06507 2.38329 -75.28717 941.13705
6720.0000 -79.13757 -75.20209 3.93548 2.39220 -75.19370 896.00109
6725.0000 -78.52313 -74.90113 3.62200 2.47979 -74.27435 1022.45815
6730.0000 -78.87076 -74.37102 4.49974 2.52893 -73.75863 1015.95484
6735.0000 -78.99042 -74.60897 4.38145 2.49218 -74.14435 1014.87606
6740.0000 -79.57832 -75.69178 3.88654 2.42198 -74.88112 931.36400
6745.0000 -79.44474 -75.28223 4.16251 2.38932 -75.22389 959.48256
6750.0000 -80.17497 -75.56395 4.61102 2.36086 -75.52257 907.94300
MELTING PROCESS: loop number 28 T-loop= 1013.0000000000000
main_MD> interactions number 28 at Temperature= 1013.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.24040 -1.95866 0.89596
force_rgl> df(natom) -1.88312 -5.07032 6.04598
6755.0000 -79.22255 -74.82480 4.39775 2.36282 -75.50200 904.76292
6760.0000 -78.76556 -73.50974 5.25582 2.46211 -74.45999 1027.64066
6765.0000 -78.24392 -73.03761 5.20632 2.55012 -73.53624 1043.33185
6770.0000 -78.08428 -74.02208 4.06220 2.55188 -73.51782 1042.72219
6775.0000 -76.74306 -73.19645 3.54661 2.56195 -73.41215 1016.90394
6780.0000 -79.01542 -75.21288 3.80254 2.44915 -74.59597 968.55893
6785.0000 -78.10258 -73.77808 4.32450 2.44040 -74.68775 950.39019
6790.0000 -77.77229 -73.31255 4.45973 2.60507 -72.95960 1139.59914
6795.0000 -78.35861 -74.23499 4.12362 2.52674 -73.78165 1035.64525
6800.0000 -77.23795 -73.34825 3.88970 2.54395 -73.60100 1058.27089
6805.0000 -77.77293 -72.93715 4.83578 2.63515 -72.64392 1156.88807
6810.0000 -77.95695 -72.56126 5.39569 2.61180 -72.88895 1121.69480
6815.0000 -78.65655 -73.61722 5.03933 2.55513 -73.48368 1056.33126
6820.0000 -78.02496 -72.12555 5.89941 2.66485 -72.33212 1204.27678
6825.0000 -77.31513 -72.56206 4.75307 2.66062 -72.37659 1177.22386
6830.0000 -78.50572 -72.99993 5.50579 2.56848 -73.34362 1068.29253
6835.0000 -77.98233 -73.83089 4.15144 2.50845 -73.97356 1018.83840
6840.0000 -78.24332 -74.59897 3.64435 2.51263 -73.92977 1029.28716
6845.0000 -79.58119 -74.20191 5.37928 2.49567 -74.10773 1054.01562
6850.0000 -78.11637 -74.15420 3.96216 2.46318 -74.44873 994.46077
6855.0000 -78.01758 -73.91113 4.10644 2.53847 -73.65858 1027.53252
6860.0000 -79.12543 -74.70940 4.41603 2.47350 -74.34039 1019.73723
6865.0000 -78.40976 -73.84866 4.56110 2.36644 -75.46405 891.88417
6870.0000 -79.60519 -75.35037 4.25481 2.49289 -74.13691 1005.41129
6875.0000 -78.03569 -73.37771 4.65797 2.46068 -74.47499 977.30020
6880.0000 -77.69789 -72.83611 4.86178 2.63164 -72.68067 1139.33566
6885.0000 -79.83977 -74.83050 5.00927 2.48695 -74.19922 970.09002
6890.0000 -79.24525 -75.39181 3.85344 2.36525 -75.47651 898.89542
6895.0000 -79.23265 -75.27008 3.96257 2.34793 -75.65826 918.77938
6900.0000 -78.50418 -73.82911 4.67507 2.43163 -74.77978 954.07494
6905.0000 -78.83612 -75.48897 3.34715 2.47459 -74.32897 993.18599
6910.0000 -78.63210 -75.13397 3.49813 2.33730 -75.76981 876.46624
6915.0000 -78.54917 -74.84634 3.70283 2.35368 -75.59790 854.35729
6920.0000 -77.45856 -73.00429 4.45427 2.51099 -73.94699 1071.81725
6925.0000 -77.82015 -73.04300 4.77716 2.56156 -73.41618 1020.48021
6930.0000 -78.23818 -73.50192 4.73625 2.66926 -72.28585 1146.20012
6935.0000 -78.71821 -73.02987 5.68834 2.62827 -72.71611 1104.46594
6940.0000 -78.73539 -74.17002 4.56537 2.55075 -73.52967 1120.17678
6945.0000 -79.02508 -75.25972 3.76536 2.46859 -74.39199 1009.91778
6950.0000 -79.65092 -74.50582 5.14510 2.41372 -74.96777 927.22145
6955.0000 -78.41552 -73.86334 4.55218 2.48918 -74.17586 991.12431
6960.0000 -78.36510 -73.16117 5.20394 2.56952 -73.33265 1045.87213
6965.0000 -78.75722 -74.47505 4.28217 2.45918 -74.49069 988.57929
6970.0000 -78.85048 -74.47893 4.37155 2.46292 -74.45148 993.18270
6975.0000 -78.05474 -72.07862 5.97612 2.59154 -73.10156 1111.28083
6980.0000 -78.09384 -73.85508 4.23876 2.55058 -73.53142 1046.35924
6985.0000 -79.56858 -74.82559 4.74299 2.48448 -74.22522 991.22775
6990.0000 -78.16188 -73.64854 4.51334 2.44540 -74.63535 975.53363
6995.0000 -79.55015 -74.97133 4.57882 2.40539 -75.05528 955.40138
7000.0000 -77.66716 -72.81117 4.85599 2.50749 -73.98366 996.08739
MELTING PROCESS: loop number 29 T-loop= 1038.0000000000000
main_MD> interactions number 29 at Temperature= 1038.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.66555 0.64287 -1.38312
force_rgl> df(natom) -4.65147 -0.93627 -1.22512
7005.0000 -78.76033 -74.23379 4.52653 2.51492 -73.90574 1021.57861
7010.0000 -78.21096 -73.27623 4.93473 2.47991 -74.27311 992.41609
7015.0000 -78.60642 -75.30107 3.30535 2.48460 -74.22388 1044.10489
7020.0000 -78.15471 -73.12410 5.03062 2.45825 -74.50042 995.66662
7025.0000 -78.50430 -72.51511 5.98919 2.64691 -72.52043 1170.29125
7030.0000 -78.32618 -73.50855 4.81764 2.60145 -72.99752 1171.76361
7035.0000 -77.97507 -74.54450 3.43057 2.51326 -73.92315 1016.21240
7040.0000 -78.91304 -75.46007 3.45296 2.43954 -74.69680 969.66437
7045.0000 -79.36425 -75.29479 4.06946 2.43236 -74.77222 973.02587
7050.0000 -78.26492 -73.23732 5.02759 2.50553 -74.00422 1017.40063
7055.0000 -77.61401 -73.68925 3.92476 2.59705 -73.04370 1119.80578
7060.0000 -79.35919 -75.95004 3.40914 2.50102 -74.05155 1025.72925
7065.0000 -78.10673 -74.15811 3.94862 2.43662 -74.72749 933.19415
7070.0000 -78.52945 -73.89381 4.63564 2.54683 -73.57084 1037.76125
7075.0000 -79.38952 -74.52112 4.86840 2.56626 -73.36689 1101.73434
7080.0000 -77.39992 -73.80536 3.59456 2.53850 -73.65818 1085.55498
7085.0000 -77.47510 -73.39507 4.08004 2.55302 -73.50583 1053.59049
7090.0000 -77.50012 -73.35695 4.14317 2.55261 -73.51016 1050.61814
7095.0000 -77.98180 -72.69632 5.28547 2.61610 -72.84384 1068.89291
7100.0000 -77.84540 -73.26745 4.57795 2.55816 -73.45188 1079.38311
7105.0000 -78.15936 -74.15812 4.00124 2.54569 -73.58281 1029.99567
7110.0000 -78.33198 -73.06859 5.26339 2.54324 -73.60844 1051.09387
7115.0000 -78.62000 -74.43618 4.18381 2.46339 -74.44649 987.63894
7120.0000 -79.19388 -74.43855 4.75533 2.41926 -74.90966 919.99169
7125.0000 -77.99044 -73.17906 4.81138 2.52048 -73.84731 1025.98039
7130.0000 -77.99764 -73.10754 4.89010 2.55570 -73.47774 1017.43984
7135.0000 -79.02730 -73.36024 5.66706 2.57391 -73.28663 1187.74695
7140.0000 -78.53207 -74.34893 4.18314 2.55364 -73.49937 1091.19181
7145.0000 -79.33834 -75.03053 4.30782 2.42298 -74.87067 912.64862
7150.0000 -79.79582 -74.86262 4.93320 2.38981 -75.21873 915.23636
7155.0000 -79.25245 -75.52584 3.72661 2.45993 -74.48279 979.18387
7160.0000 -80.23719 -74.76968 5.46751 2.38208 -75.29985 936.36928
7165.0000 -79.03707 -74.31115 4.72592 2.53521 -73.69281 1016.24680
7170.0000 -78.92404 -73.33783 5.58621 2.53243 -73.72196 985.93464
7175.0000 -78.09973 -72.77432 5.32540 2.60404 -72.97043 1104.84709
7180.0000 -76.73750 -72.39575 4.34175 2.61850 -72.81858 1116.06126
7185.0000 -77.68884 -72.39167 5.29717 2.70651 -71.89492 1199.40839
7190.0000 -79.07871 -74.45860 4.62012 2.58188 -73.20291 1069.54865
7195.0000 -78.25654 -73.96150 4.29504 2.53977 -73.64487 1074.53245
7200.0000 -78.16591 -73.55172 4.61419 2.54442 -73.59615 1053.06531
7205.0000 -78.48729 -75.08302 3.40427 2.45898 -74.49281 997.38000
7210.0000 -78.73410 -75.67861 3.05549 2.42386 -74.86140 945.67617
7215.0000 -79.05702 -75.22414 3.83288 2.36291 -75.50107 856.52400
7220.0000 -79.06798 -74.18339 4.88459 2.48589 -74.21040 1041.35265
7225.0000 -78.85267 -74.67743 4.17524 2.46163 -74.46498 1057.65081
7230.0000 -78.96992 -74.25086 4.71905 2.48799 -74.18830 959.28441
7235.0000 -77.91529 -73.92785 3.98744 2.49871 -74.07587 988.42892
7240.0000 -78.61393 -72.88813 5.72580 2.57968 -73.22601 1018.25165
7245.0000 -77.77704 -72.95776 4.81928 2.58707 -73.14853 1059.92030
7250.0000 -78.91497 -74.78689 4.12808 2.53930 -73.64978 1006.59928
MELTING PROCESS: loop number 30 T-loop= 1063.0000000000000
main_MD> interactions number 30 at Temperature= 1063.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.19730 -1.67498 -0.78863
force_rgl> df(natom) 0.54798 5.61616 -2.91160
7255.0000 -77.61449 -72.01483 5.59967 2.54015 -73.64088 1061.43630
7260.0000 -78.08572 -72.88351 5.20222 2.57496 -73.27555 1098.84923
7265.0000 -78.05612 -72.87596 5.18016 2.63412 -72.65471 1060.88568
7270.0000 -79.33973 -73.76643 5.57330 2.56386 -73.39202 1074.61097
7275.0000 -76.26483 -71.16730 5.09753 2.67507 -72.22495 1188.51012
7280.0000 -77.79464 -72.16121 5.63342 2.66585 -72.32164 1118.96939
7285.0000 -78.49921 -73.48477 5.01445 2.65784 -72.40572 1101.66013
7290.0000 -78.80742 -74.30774 4.49968 2.51157 -73.94085 1008.18291
7295.0000 -78.73136 -74.55438 4.17698 2.40837 -75.02395 889.32959
7300.0000 -78.52933 -74.28229 4.24705 2.46601 -74.41897 998.23290
7305.0000 -78.05799 -73.13115 4.92683 2.51425 -73.91277 995.63371
7310.0000 -78.56380 -73.48597 5.07783 2.61022 -72.90555 1128.90968
7315.0000 -78.19752 -73.38418 4.81334 2.48809 -74.18732 997.05064
7320.0000 -79.04362 -73.64372 5.39990 2.52440 -73.80624 1033.93020
7325.0000 -77.37589 -73.03851 4.33739 2.54405 -73.59996 1060.49766
7330.0000 -78.24015 -74.09706 4.14310 2.55313 -73.50469 995.86656
7335.0000 -78.58593 -73.60952 4.97641 2.45939 -74.48847 972.78989
7340.0000 -78.13462 -73.97929 4.15532 2.58333 -73.18775 1091.05317
7345.0000 -78.48009 -74.36446 4.11563 2.48457 -74.22421 980.40875
7350.0000 -78.49662 -74.17855 4.31807 2.52090 -73.84299 1034.78207
7355.0000 -78.48105 -72.61785 5.86321 2.55156 -73.52116 1060.53648
7360.0000 -79.13105 -73.96343 5.16762 2.61347 -72.87143 1136.18234
7365.0000 -77.85692 -71.52598 6.33094 2.63766 -72.61749 1136.10552
7370.0000 -78.22310 -73.44002 4.78308 2.63316 -72.66478 1120.72915
7375.0000 -77.05109 -72.54303 4.50805 2.65722 -72.41230 1116.47560
7380.0000 -78.82141 -73.80805 5.01336 2.56240 -73.40742 1063.05493
7385.0000 -77.34284 -72.04799 5.29484 2.60767 -72.93227 1132.50374
7390.0000 -77.87902 -72.31807 5.56095 2.66094 -72.37322 1140.52427
7395.0000 -76.72841 -70.87841 5.85000 2.67050 -72.27292 1138.20644
7400.0000 -76.80549 -71.33769 5.46780 2.72685 -71.68147 1190.62204
7405.0000 -79.45527 -73.59035 5.86493 2.62307 -72.77068 1149.23131
7410.0000 -77.13316 -72.69472 4.43844 2.61569 -72.84811 1126.54043
7415.0000 -76.99199 -72.43131 4.56068 2.62556 -72.74454 1107.73686
7420.0000 -79.81872 -73.68459 6.13413 2.56994 -73.32829 1113.67734
7425.0000 -77.80827 -72.85967 4.94860 2.56015 -73.43103 1105.17638
7430.0000 -77.39911 -72.88905 4.51006 2.67083 -72.26936 1193.08221
7435.0000 -78.66916 -73.39619 5.27297 2.61280 -72.87847 1112.20842
7440.0000 -76.93985 -71.94656 4.99329 2.62324 -72.76892 1091.00000
7445.0000 -77.53626 -71.91774 5.61852 2.65689 -72.41567 1132.07088
7450.0000 -76.82507 -72.15325 4.67182 2.64770 -72.51215 1161.43798
7455.0000 -78.26109 -73.16865 5.09244 2.58975 -73.12039 1115.61651
7460.0000 -78.70841 -73.94649 4.76191 2.47341 -74.34138 986.80093
7465.0000 -78.41078 -74.13635 4.27443 2.55274 -73.50881 1045.25608
7470.0000 -78.45299 -73.95096 4.50203 2.50163 -74.04517 1011.69953
7475.0000 -77.38744 -72.61122 4.77623 2.55806 -73.45294 1084.87621
7480.0000 -78.39293 -73.10876 5.28417 2.58837 -73.13487 1122.44248
7485.0000 -76.61985 -73.47922 3.14063 2.58960 -73.12194 1079.84591
7490.0000 -78.09411 -72.29855 5.79556 2.65283 -72.45838 1125.23761
7495.0000 -79.31198 -74.97132 4.34067 2.56537 -73.37618 1086.56626
7500.0000 -79.13354 -74.47607 4.65747 2.41810 -74.92183 947.70867
MELTING PROCESS: loop number 31 T-loop= 1088.0000000000000
main_MD> interactions number 31 at Temperature= 1088.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.82760 2.47111 0.42280
force_rgl> df(natom) -0.97403 0.27474 0.56307
7505.0000 -78.75647 -74.22345 4.53302 2.44526 -74.63675 993.74124
7510.0000 -79.27349 -76.00025 3.27323 2.37265 -75.39889 901.54479
7515.0000 -78.01615 -73.53841 4.47775 2.38699 -75.24834 918.01891
7520.0000 -78.01529 -71.80946 6.20583 2.65910 -72.39254 1146.10677
7525.0000 -75.69451 -71.18218 4.51233 2.68691 -72.10068 1215.96100
7530.0000 -77.08826 -72.89311 4.19515 2.68536 -72.11695 1155.29825
7535.0000 -76.67054 -72.69812 3.97242 2.63448 -72.65091 1129.30663
7540.0000 -78.80636 -74.34512 4.46124 2.56628 -73.36666 1092.99761
7545.0000 -79.05863 -74.08598 4.97265 2.56597 -73.36993 1110.00199
7550.0000 -77.37895 -72.84188 4.53707 2.55537 -73.48121 1097.71619
7555.0000 -77.39045 -71.46689 5.92357 2.75097 -71.42831 1244.17655
7560.0000 -77.95916 -72.11707 5.84209 2.63100 -72.68748 1188.33305
7565.0000 -78.41607 -72.44729 5.96878 2.64638 -72.52602 1116.01458
7570.0000 -78.90581 -73.65625 5.24957 2.56878 -73.34039 1055.89226
7575.0000 -78.30761 -74.29810 4.00951 2.46570 -74.42223 997.50175
7580.0000 -77.74981 -71.83101 5.91880 2.54545 -73.58524 1011.40493
7585.0000 -78.35748 -73.44337 4.91411 2.62443 -72.75638 1142.98568
7590.0000 -77.88911 -74.23048 3.65863 2.53658 -73.67842 1003.56070
7595.0000 -79.05388 -74.41507 4.63882 2.46010 -74.48101 998.80743
7600.0000 -79.00572 -75.12182 3.88390 2.46260 -74.45483 973.02132
7605.0000 -77.64624 -73.22980 4.41644 2.36821 -75.44545 931.37128
7610.0000 -77.69712 -72.94609 4.75102 2.55465 -73.48876 1046.47638
7615.0000 -76.56300 -72.46493 4.09807 2.60353 -72.97577 1038.65739
7620.0000 -78.34675 -73.76070 4.58605 2.53619 -73.68247 1007.10200
7625.0000 -77.99484 -72.17753 5.81730 2.60505 -72.95978 1060.23439
7630.0000 -76.88376 -71.99244 4.89132 2.71347 -71.82186 1174.32280
7635.0000 -77.68056 -72.35805 5.32251 2.75128 -71.42506 1204.14411
7640.0000 -76.65719 -73.10688 3.55031 2.58967 -73.12116 1048.27687
7645.0000 -78.38400 -73.63994 4.74407 2.56341 -73.39678 1022.64543
7650.0000 -77.39809 -72.43662 4.96147 2.50312 -74.02953 1030.85921
7655.0000 -77.38924 -71.69751 5.69173 2.67264 -72.25044 1180.58283
7660.0000 -78.80176 -72.91896 5.88280 2.70507 -71.91002 1232.07487
7665.0000 -79.58883 -75.32704 4.26179 2.47553 -74.31908 1007.84345
7670.0000 -79.29340 -74.93853 4.35486 2.39046 -75.21190 959.59497
7675.0000 -79.48293 -74.13248 5.35045 2.45016 -74.58534 1017.84569
7680.0000 -78.20363 -73.84229 4.36135 2.53972 -73.64545 1061.20269
7685.0000 -78.37758 -73.87831 4.49927 2.56713 -73.35772 1099.38278
7690.0000 -77.84042 -74.21906 3.62136 2.50090 -74.05282 1019.32960
7695.0000 -77.11247 -72.52364 4.58883 2.52764 -73.77216 1012.62378
7700.0000 -76.67220 -71.53581 5.13639 2.68709 -72.09877 1167.12482
7705.0000 -77.72357 -73.12852 4.59505 2.67827 -72.19128 1149.22042
7710.0000 -76.73630 -71.53203 5.20427 2.70431 -71.91807 1233.24411
7715.0000 -76.06023 -70.76893 5.29129 2.76691 -71.26100 1188.00436
7720.0000 -76.26876 -70.54455 5.72421 2.77194 -71.20822 1238.09575
7725.0000 -77.47294 -72.68215 4.79079 2.66650 -72.31491 1183.91824
7730.0000 -78.65686 -73.26644 5.39042 2.61640 -72.84066 1094.34161
7735.0000 -77.82300 -74.16377 3.65923 2.47119 -74.36468 973.58056
7740.0000 -79.20202 -75.07692 4.12510 2.47049 -74.37203 935.84075
7745.0000 -78.62184 -74.14476 4.47709 2.46304 -74.45014 1004.92214
7750.0000 -76.72255 -72.74518 3.97737 2.46073 -74.47440 984.17227
MELTING PROCESS: loop number 32 T-loop= 1113.0000000000000
main_MD> interactions number 32 at Temperature= 1113.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.55306 3.61285 -1.65322
force_rgl> df(natom) 0.56300 -1.66868 0.06629
7755.0000 -78.58968 -73.01970 5.56998 2.67692 -72.20554 1129.69265
7760.0000 -79.84766 -75.40671 4.44095 2.50691 -73.98972 1010.88112
7765.0000 -78.36419 -74.35080 4.01340 2.49201 -74.14613 1005.95916
7770.0000 -78.00945 -73.10758 4.90188 2.52147 -73.83700 1026.59179
7775.0000 -77.90084 -74.86307 3.03777 2.52233 -73.82791 1043.95316
7780.0000 -76.75032 -72.00230 4.74803 2.56033 -73.42911 979.11930
7785.0000 -76.96671 -72.01097 4.95573 2.62861 -72.71250 1124.01632
7790.0000 -78.30620 -73.48599 4.82021 2.55468 -73.48837 1004.82021
7795.0000 -77.94098 -73.59251 4.34847 2.50932 -73.96447 1015.76126
7800.0000 -76.04286 -71.95619 4.08667 2.56713 -73.35771 1077.38302
7805.0000 -77.63228 -72.44681 5.18547 2.68785 -72.09077 1112.37312
7810.0000 -78.27620 -72.35374 5.92246 2.63493 -72.64618 1127.64903
7815.0000 -77.35593 -71.64315 5.71278 2.73533 -71.59245 1182.43709
7820.0000 -78.28437 -72.37103 5.91335 2.68566 -72.11376 1139.84573
7825.0000 -76.57974 -72.26326 4.31648 2.60816 -72.92718 1169.77883
7830.0000 -77.53566 -72.97626 4.55940 2.61327 -72.87356 1138.35725
7835.0000 -78.07232 -72.58338 5.48894 2.65372 -72.44902 1120.19905
7840.0000 -76.51892 -72.26696 4.25197 2.57704 -73.25377 1079.02951
7845.0000 -78.37242 -73.00827 5.36415 2.50320 -74.02870 1031.69098
7850.0000 -77.93677 -73.17559 4.76117 2.56967 -73.33113 1070.34403
7855.0000 -77.27595 -72.40989 4.86606 2.60184 -72.99345 1118.43086
7860.0000 -76.02354 -71.15648 4.86706 2.63267 -72.66993 1138.94388
7865.0000 -77.86973 -72.74692 5.12281 2.71339 -71.82275 1223.26361
7870.0000 -77.91254 -72.37932 5.53322 2.56159 -73.41585 1075.70854
7875.0000 -76.79752 -72.96535 3.83217 2.63702 -72.62429 1133.90901
7880.0000 -78.82002 -74.16290 4.65712 2.55099 -73.52719 1062.64841
7885.0000 -77.45251 -73.54811 3.90440 2.51852 -73.86791 989.63841
7890.0000 -78.21945 -73.78058 4.43887 2.60250 -72.98658 1085.95987
7895.0000 -78.82865 -73.46960 5.35905 2.58078 -73.21451 1031.49513
7900.0000 -77.06546 -72.62716 4.43830 2.62852 -72.71349 1142.39710
7905.0000 -77.85131 -72.81822 5.03309 2.57518 -73.27325 1037.79831
7910.0000 -77.07163 -71.35433 5.71731 2.71206 -71.83666 1187.28371
7915.0000 -78.13120 -72.57814 5.55306 2.79579 -70.95795 1258.62873
7920.0000 -76.90960 -71.54022 5.36937 2.64009 -72.59204 1140.96140
7925.0000 -75.22604 -70.77659 4.44944 2.82578 -70.64317 1272.55908
7930.0000 -77.69915 -72.69070 5.00845 2.69994 -71.96391 1203.93967
7935.0000 -77.44340 -73.12435 4.31905 2.69473 -72.01860 1201.19301
7940.0000 -78.86864 -72.77886 6.08977 2.59421 -73.07352 1095.45988
7945.0000 -77.65325 -72.47496 5.17829 2.61205 -72.88631 1128.49440
7950.0000 -76.82433 -70.90099 5.92334 2.71600 -71.79537 1178.15425
7955.0000 -76.94632 -72.07425 4.87207 2.74653 -71.47493 1195.82128
7960.0000 -78.53886 -72.56817 5.97069 2.61319 -72.87438 1101.49043
7965.0000 -76.19389 -72.00860 4.18528 2.67824 -72.19167 1170.18697
7970.0000 -77.45528 -73.14098 4.31429 2.61885 -72.81498 1092.55525
7975.0000 -78.21364 -73.45364 4.76001 2.56259 -73.40541 1025.59246
7980.0000 -76.37983 -70.70082 5.67901 2.67094 -72.26829 1157.08032
7985.0000 -78.42741 -72.87742 5.55000 2.72729 -71.67688 1194.03779
7990.0000 -76.87682 -72.23877 4.63805 2.66080 -72.37467 1136.04524
7995.0000 -77.28978 -71.90938 5.38041 2.62464 -72.75413 1109.66251
8000.0000 -79.50448 -74.43642 5.06806 2.59224 -73.09426 1100.33093
MELTING PROCESS: loop number 33 T-loop= 1138.0000000000000
main_MD> interactions number 33 at Temperature= 1138.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.86797 3.18773 -0.62195
force_rgl> df(natom) -2.81192 -1.81837 -2.70676
8005.0000 -77.90834 -72.99317 4.91516 2.58387 -73.18206 1078.92620
8010.0000 -76.46203 -70.83125 5.63078 2.64430 -72.54786 1169.31432
8015.0000 -77.19352 -71.94329 5.25023 2.69995 -71.96376 1182.39441
8020.0000 -75.01091 -70.42745 4.58346 2.73761 -71.56858 1194.89079
8025.0000 -77.00771 -72.36079 4.64693 2.71661 -71.78891 1195.31902
8030.0000 -77.80263 -72.28276 5.51986 2.70049 -71.95812 1188.56544
8035.0000 -77.91024 -72.99848 4.91176 2.63898 -72.60372 1109.18180
8040.0000 -77.71577 -72.69651 5.01926 2.58704 -73.14882 1108.59466
8045.0000 -76.29385 -71.82304 4.47081 2.61536 -72.85160 1053.29252
8050.0000 -76.06440 -70.60102 5.46338 2.74256 -71.51658 1176.05645
8055.0000 -76.39357 -71.50199 4.89158 2.74977 -71.44092 1157.12077
8060.0000 -76.78075 -71.29984 5.48091 2.76292 -71.30293 1312.30101
8065.0000 -77.53114 -73.82867 3.70247 2.71861 -71.76800 1212.83484
8070.0000 -78.03528 -74.86370 3.17158 2.47650 -74.30890 961.69016
8075.0000 -79.56195 -73.70871 5.85324 2.55783 -73.45538 1070.34113
8080.0000 -77.07804 -71.45047 5.62757 2.60266 -72.98486 1085.52612
8085.0000 -76.45077 -72.53488 3.91589 2.58932 -73.12482 1064.67058
8090.0000 -76.53022 -71.73353 4.79670 2.66520 -72.32850 1170.00168
8095.0000 -76.88386 -71.22524 5.65862 2.74077 -71.53540 1216.07657
8100.0000 -77.88593 -72.53621 5.34972 2.69653 -71.99972 1175.87567
8105.0000 -76.61320 -71.70832 4.90489 2.71794 -71.77503 1184.24667
8110.0000 -76.92974 -73.10263 3.82711 2.64126 -72.57971 1148.57454
8115.0000 -76.21791 -71.05805 5.15987 2.74659 -71.47425 1242.13266
8120.0000 -78.28081 -72.57708 5.70373 2.77869 -71.13740 1255.46372
8125.0000 -78.52397 -74.22798 4.29598 2.54758 -73.56294 1071.31305
8130.0000 -77.34061 -72.56553 4.77508 2.55661 -73.46812 1050.53524
8135.0000 -78.81408 -74.36511 4.44897 2.57735 -73.25046 1067.90037
8140.0000 -79.77745 -75.44718 4.33027 2.36610 -75.46761 917.26373
8145.0000 -78.76455 -74.54054 4.22401 2.37895 -75.33276 954.87254
8150.0000 -77.92665 -72.30673 5.61992 2.60275 -72.98389 1079.35219
8155.0000 -77.68297 -72.84427 4.83870 2.60647 -72.94484 1040.65139
8160.0000 -78.46489 -73.88031 4.58458 2.56496 -73.38049 1043.69794
8165.0000 -78.56981 -73.21146 5.35836 2.51066 -73.95042 994.56325
8170.0000 -77.02191 -72.71417 4.30774 2.60070 -73.00545 1131.99952
8175.0000 -76.81298 -71.91470 4.89829 2.68065 -72.16632 1139.70315
8180.0000 -75.83900 -70.32078 5.51822 2.76425 -71.28899 1230.45458
8185.0000 -76.89059 -72.73295 4.15764 2.64543 -72.53600 1166.07204
8190.0000 -78.36817 -74.08030 4.28787 2.59474 -73.06798 1113.26049
8195.0000 -77.78815 -73.61271 4.17544 2.48017 -74.27036 992.00891
8200.0000 -78.47575 -74.09330 4.38245 2.58096 -73.21266 1076.95795
8205.0000 -79.02056 -73.03828 5.98228 2.53164 -73.73019 1048.38389
8210.0000 -76.58797 -72.26651 4.32146 2.66977 -72.28054 1191.79661
8215.0000 -76.73634 -71.30839 5.42795 2.72461 -71.70494 1220.04123
8220.0000 -78.12161 -73.37839 4.74322 2.60032 -73.00938 1167.72228
8225.0000 -77.58670 -73.17534 4.41136 2.54341 -73.60670 1040.43369
8230.0000 -77.79006 -73.25508 4.53498 2.59051 -73.11236 1092.34367
8235.0000 -77.69821 -73.46642 4.23179 2.55341 -73.50179 1044.01258
8240.0000 -76.40760 -72.24233 4.16527 2.61822 -72.82160 1108.60590
8245.0000 -77.31714 -71.72894 5.58821 2.75153 -71.42245 1218.13891
8250.0000 -77.60821 -73.07721 4.53100 2.70511 -71.90961 1195.70781
MELTING PROCESS: loop number 34 T-loop= 1163.0000000000000
main_MD> interactions number 34 at Temperature= 1163.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91228 0.55960 1.70754
force_rgl> df(natom) -2.01563 1.28743 0.37783
8255.0000 -76.54647 -72.48226 4.06422 2.68368 -72.13458 1173.63248
8260.0000 -79.21418 -73.77575 5.43843 2.55462 -73.48906 1072.27287
8265.0000 -78.18596 -72.77803 5.40793 2.60983 -72.90966 1114.02475
8270.0000 -78.28732 -73.28590 5.00141 2.63844 -72.60932 1152.43880
8275.0000 -77.93959 -72.39602 5.54358 2.62326 -72.76869 1056.05529
8280.0000 -78.67999 -73.55514 5.12485 2.69354 -72.03103 1209.76918
8285.0000 -76.85182 -72.64251 4.20931 2.49618 -74.10242 971.19946
8290.0000 -76.72237 -72.56281 4.15957 2.68816 -72.08753 1167.68755
8295.0000 -77.55654 -72.74844 4.80811 2.60593 -72.95052 1158.49167
8300.0000 -78.62785 -72.87934 5.74851 2.73231 -71.62415 1224.95765
8305.0000 -78.62742 -73.36290 5.26452 2.49050 -74.16201 988.76262
8310.0000 -77.04275 -72.98457 4.05818 2.58954 -73.12257 1056.99644
8315.0000 -76.73636 -72.12136 4.61499 2.69588 -72.00655 1176.09578
8320.0000 -78.61854 -73.23064 5.38790 2.56760 -73.35280 1038.47696
8325.0000 -77.88792 -73.22131 4.66661 2.57158 -73.31100 1038.62264
8330.0000 -77.37976 -73.16140 4.21837 2.57164 -73.31039 1055.14627
8335.0000 -78.13559 -72.33663 5.79896 2.67232 -72.25379 1142.79978
8340.0000 -76.65225 -72.17241 4.47984 2.72374 -71.71411 1255.75025
8345.0000 -78.91770 -72.98424 5.93346 2.63675 -72.62708 1166.32911
8350.0000 -76.87996 -70.36953 6.51044 2.73222 -71.62512 1274.81878
8355.0000 -78.05644 -73.01962 5.03682 2.65860 -72.39774 1158.12270
8360.0000 -77.81713 -72.71583 5.10129 2.68298 -72.14189 1239.21434
8365.0000 -77.87272 -72.39054 5.48218 2.67076 -72.27016 1168.08010
8370.0000 -77.72237 -74.17853 3.54384 2.53427 -73.70263 1037.13299
8375.0000 -78.33428 -72.67364 5.66064 2.57573 -73.26750 1078.14874
8380.0000 -79.26747 -72.90383 6.36365 2.64493 -72.54120 1186.02716
8385.0000 -79.09735 -75.26151 3.83584 2.46794 -74.39871 976.55131
8390.0000 -78.93775 -73.87495 5.06280 2.43544 -74.73987 1014.64780
8395.0000 -78.00688 -73.41737 4.58951 2.59330 -73.08307 1149.55687
8400.0000 -78.22157 -73.05433 5.16723 2.60538 -72.95632 1088.68300
8405.0000 -76.85508 -71.57040 5.28469 2.68556 -72.11483 1173.83508
8410.0000 -76.68651 -70.45091 6.23560 2.83515 -70.54485 1254.67779
8415.0000 -76.65534 -71.10365 5.55169 2.73417 -71.60466 1167.73528
8420.0000 -77.69013 -72.05126 5.63887 2.69916 -71.97209 1256.22344
8425.0000 -77.41355 -72.39458 5.01897 2.75654 -71.36992 1235.14539
8430.0000 -76.11005 -70.82480 5.28525 2.68661 -72.10380 1187.96953
8435.0000 -76.51919 -72.11467 4.40452 2.78993 -71.01948 1258.23634
8440.0000 -76.65270 -71.46509 5.18761 2.72665 -71.68360 1237.98473
8445.0000 -77.52483 -72.28501 5.23982 2.67211 -72.25600 1131.99446
8450.0000 -78.09409 -72.30448 5.78961 2.70472 -71.91375 1197.86488
8455.0000 -76.58739 -71.17251 5.41488 2.74538 -71.48701 1214.06869
8460.0000 -76.05529 -70.14858 5.90671 2.84439 -70.44793 1344.19263
8465.0000 -76.71285 -71.07169 5.64116 2.74821 -71.45728 1239.07486
8470.0000 -77.20484 -71.65943 5.54541 2.69780 -71.98632 1201.60068
8475.0000 -77.69929 -71.60060 6.09870 2.67697 -72.20495 1122.30203
8480.0000 -77.28481 -72.71066 4.57415 2.75134 -71.42444 1158.32749
8485.0000 -76.66473 -72.02004 4.64470 2.66400 -72.34105 1092.93306
8490.0000 -77.01123 -72.60706 4.40418 2.71712 -71.78356 1137.42546
8495.0000 -77.35956 -73.01194 4.34762 2.58658 -73.15367 1088.12178
8500.0000 -77.30838 -72.51645 4.79193 2.63048 -72.69285 1106.29424
MELTING PROCESS: loop number 35 T-loop= 1188.0000000000000
main_MD> interactions number 35 at Temperature= 1188.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.11358 0.15107 1.33925
force_rgl> df(natom) -0.33585 1.54341 0.40507
8505.0000 -78.93200 -73.80417 5.12782 2.60556 -72.95443 1139.20291
8510.0000 -78.76861 -74.23302 4.53559 2.49429 -74.12225 1013.97534
8515.0000 -79.40663 -74.59797 4.80866 2.48767 -74.19164 1048.66806
8520.0000 -78.46381 -72.63031 5.83351 2.55202 -73.51632 1084.66383
8525.0000 -77.24636 -71.57594 5.67042 2.70040 -71.95912 1199.91678
8530.0000 -76.47222 -70.12079 6.35144 2.83482 -70.54835 1254.04287
8535.0000 -77.86015 -72.71457 5.14558 2.71453 -71.81080 1190.68544
8540.0000 -77.64780 -73.13939 4.50841 2.64510 -72.53949 1216.70549
8545.0000 -76.95043 -72.49853 4.45190 2.64253 -72.56638 1157.26008
8550.0000 -76.74994 -71.31163 5.43831 2.61268 -72.87971 1102.25572
8555.0000 -76.68587 -71.05057 5.63530 2.80385 -70.87341 1276.21544
8560.0000 -76.66439 -70.65381 6.01058 2.83720 -70.52338 1389.80816
8565.0000 -75.46212 -70.60665 4.85547 2.78766 -71.04326 1266.43426
8570.0000 -76.88037 -72.12672 4.75365 2.79880 -70.92641 1309.84073
8575.0000 -75.83749 -70.86880 4.96870 2.74945 -71.44426 1195.62853
8580.0000 -77.10418 -71.55310 5.55107 2.82890 -70.61043 1304.29139
8585.0000 -78.48904 -73.54411 4.94493 2.60376 -72.97328 1079.57297
8590.0000 -78.00859 -73.31386 4.69473 2.45144 -74.57188 981.85366
8595.0000 -76.68807 -71.70109 4.98699 2.65162 -72.47101 1159.60992
8600.0000 -77.37193 -73.19494 4.17699 2.73532 -71.59254 1213.10945
8605.0000 -77.40115 -73.44678 3.95437 2.59647 -73.04988 1087.97835
8610.0000 -76.07243 -69.93339 6.13904 2.72680 -71.68204 1200.32118
8615.0000 -77.40160 -71.47867 5.92294 2.73411 -71.60531 1199.90412
8620.0000 -77.15068 -70.74422 6.40646 2.78943 -71.02468 1267.51378
8625.0000 -75.96157 -70.79232 5.16925 2.79988 -70.91502 1233.51988
8630.0000 -77.21806 -71.68403 5.53404 2.75292 -71.40791 1212.94321
8635.0000 -76.54909 -70.76924 5.77985 2.74783 -71.46126 1204.93603
8640.0000 -76.18099 -70.90095 5.28003 2.79153 -71.00270 1271.58013
8645.0000 -77.62097 -73.11767 4.50329 2.74781 -71.46146 1185.84919
8650.0000 -78.27392 -71.82501 6.44891 2.67863 -72.18751 1127.13049
8655.0000 -75.36998 -69.16813 6.20185 2.81035 -70.80509 1301.49781
8660.0000 -75.66691 -71.45592 4.21099 2.90202 -69.84306 1405.24219
8665.0000 -78.97788 -74.13681 4.84107 2.56880 -73.34018 1091.24464
8670.0000 -77.37553 -71.85541 5.52012 2.56462 -73.38410 1074.50280
8675.0000 -76.94080 -72.30621 4.63459 2.67358 -72.24053 1145.74237
8680.0000 -78.60950 -72.05355 6.55595 2.70927 -71.86601 1200.95448
8685.0000 -77.43096 -71.12544 6.30553 2.75494 -71.38672 1345.90924
8690.0000 -76.55987 -70.10995 6.44992 2.83786 -70.51645 1290.95913
8695.0000 -77.59488 -71.22647 6.36841 2.83288 -70.56867 1330.30908
8700.0000 -75.60499 -70.92587 4.67912 2.78824 -71.03719 1237.50311
8705.0000 -77.00619 -72.13296 4.87323 2.67469 -72.22886 1210.59653
8710.0000 -76.46086 -71.52088 4.93998 2.68171 -72.15518 1170.91637
8715.0000 -76.09229 -70.32955 5.76274 2.82759 -70.62418 1343.94324
8720.0000 -75.47427 -70.29437 5.17991 2.82197 -70.68317 1275.26630
8725.0000 -76.72115 -72.16480 4.55635 2.73790 -71.56555 1160.60635
8730.0000 -76.58405 -72.05210 4.53195 2.70051 -71.95796 1172.24803
8735.0000 -77.42439 -71.50610 5.91828 2.73053 -71.64289 1221.95312
8740.0000 -76.17163 -70.72960 5.44203 2.74795 -71.46008 1206.38615
8745.0000 -75.85786 -70.33414 5.52371 2.83034 -70.59534 1292.27783
8750.0000 -77.17551 -71.12260 6.05290 2.73912 -71.55269 1240.44074
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 6 [min], 32.7934678 [s].
main_MD> Deallocating global variables
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