tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_2451/meltingSims/run_57/melt.log

2034 lines
201 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: melting
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoMelt_57.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 = 57 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 57 5700
main_MD> Size of nv and nvoiz: 57 5700
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 = 57
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 2.8363926796507941E-003 -0.11965109778079933 -0.10188419918157172 initial drift of cluster / NP1 for coalescence
init> 0.37228314975463506 0.34803499309287367 0.34444172910001514 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.8440539439750602E-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) 2.55052 -0.66065 1.00854
force_rgl> df(natom) 0.50270 -1.40336 0.60860
preparo> THERMALIZATION PROCESS AT 294.26037659802114
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -142.58275610707105 2.6150480611779789 -145.19780416824904 3.6951213727134610E-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 36
MELTING PROCESS: loop number 1 T-loop= 320.00000000000000
main_MD> interactions number 1 at Temperature= 320.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.04432 0.40655 0.03035
force_rgl> df(natom) 2.35700 1.91856 2.43762
5.0000 -144.56372 -141.56380 2.99992 1.76025 -142.07903 341.73515
10.0000 -144.55100 -142.25179 2.29921 1.75274 -142.19024 329.21460
15.0000 -144.84815 -142.94953 1.89862 1.72745 -142.56484 307.80168
20.0000 -145.03861 -142.29359 2.74502 1.71483 -142.75170 294.85794
25.0000 -144.42688 -142.05315 2.37374 1.73835 -142.40334 319.19734
30.0000 -144.81280 -142.28508 2.52772 1.74113 -142.36219 319.28204
35.0000 -144.65848 -142.03763 2.62085 1.74472 -142.30908 324.67039
40.0000 -144.75272 -142.56545 2.18727 1.72752 -142.56381 310.88431
45.0000 -144.77248 -142.52761 2.24487 1.70665 -142.87290 291.29222
50.0000 -144.47499 -142.38279 2.09220 1.74670 -142.27972 329.88030
55.0000 -144.92350 -142.42065 2.50285 1.76040 -142.07685 337.40931
60.0000 -144.47927 -142.56346 1.91582 1.72779 -142.55983 305.83154
65.0000 -144.69521 -142.45367 2.24154 1.72250 -142.63805 303.08991
70.0000 -144.35170 -142.34901 2.00269 1.73001 -142.52682 310.03395
75.0000 -144.59645 -142.38707 2.20939 1.74551 -142.29728 318.98877
80.0000 -144.70010 -142.36544 2.33466 1.72488 -142.60282 303.00560
85.0000 -144.45628 -142.20997 2.24631 1.73216 -142.49500 314.20768
90.0000 -144.79770 -141.92995 2.86776 1.76455 -142.01530 342.93223
95.0000 -144.78901 -142.14259 2.64642 1.76783 -141.96674 349.30173
100.0000 -144.34163 -141.34333 2.99831 1.77303 -141.88977 343.46753
105.0000 -144.62765 -141.95096 2.67669 1.78807 -141.66702 365.68357
110.0000 -145.05418 -142.54629 2.50788 1.74830 -142.25600 327.59506
115.0000 -144.56362 -142.12838 2.43524 1.72975 -142.53072 301.79231
120.0000 -144.09067 -141.62723 2.46344 1.75821 -142.10919 325.89185
125.0000 -143.74679 -142.00231 1.74448 1.78542 -141.70625 350.78306
130.0000 -144.45591 -142.20051 2.25540 1.74555 -142.29673 318.59634
135.0000 -143.94806 -141.49800 2.45006 1.78530 -141.70793 352.65211
140.0000 -144.33143 -141.87630 2.45513 1.79434 -141.57408 361.66397
145.0000 -144.97510 -142.59157 2.38353 1.75072 -142.22009 317.83390
150.0000 -144.65316 -142.18175 2.47140 1.72998 -142.52734 310.89973
155.0000 -144.58527 -142.51448 2.07079 1.72474 -142.60492 306.28700
160.0000 -145.09829 -143.18841 1.90988 1.72821 -142.55357 316.47704
165.0000 -145.04330 -142.84356 2.19973 1.69639 -143.02477 283.15692
170.0000 -144.60449 -141.33281 3.27168 1.77428 -141.87116 354.60960
175.0000 -144.48198 -142.21219 2.26979 1.78489 -141.71410 361.50669
180.0000 -144.42251 -142.21889 2.20362 1.75107 -142.21501 319.95404
185.0000 -144.70435 -142.27300 2.43135 1.72930 -142.53747 302.57346
190.0000 -144.68825 -142.35412 2.33412 1.75213 -142.19931 327.60462
195.0000 -144.44459 -141.50054 2.94405 1.76679 -141.98211 337.70565
200.0000 -144.43929 -141.98129 2.45801 1.78229 -141.75256 349.58209
205.0000 -144.63820 -142.07057 2.56763 1.77505 -141.85987 338.96461
210.0000 -144.10142 -141.51717 2.58424 1.77223 -141.90156 342.34649
215.0000 -144.93967 -142.09958 2.84009 1.77865 -141.80642 347.04303
220.0000 -144.55420 -142.05681 2.49739 1.74398 -142.32004 329.77237
225.0000 -144.60626 -141.58328 3.02298 1.76232 -142.04835 344.21441
230.0000 -144.65477 -142.18278 2.47199 1.76049 -142.07540 345.63775
235.0000 -144.56808 -142.18211 2.38596 1.74637 -142.28453 328.25819
240.0000 -144.60601 -142.01038 2.59563 1.76163 -142.05860 343.32160
245.0000 -144.54691 -142.12796 2.41895 1.75926 -142.09362 341.19693
250.0000 -144.60453 -142.25404 2.35050 1.75709 -142.12582 339.13524
MELTING PROCESS: loop number 2 T-loop= 345.00000000000000
main_MD> interactions number 2 at Temperature= 345.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46745 2.23556 3.68336
force_rgl> df(natom) -1.05110 0.45960 -0.23673
255.0000 -144.31081 -142.04577 2.26504 1.75905 -142.09680 339.33810
260.0000 -144.21948 -141.63531 2.58418 1.77178 -141.90830 357.21216
265.0000 -144.44986 -141.92204 2.52782 1.75283 -142.18891 334.70117
270.0000 -144.64445 -141.84489 2.79956 1.78304 -141.74151 365.05238
275.0000 -144.87535 -141.95212 2.92323 1.76633 -141.98896 353.01600
280.0000 -144.39878 -141.83396 2.56482 1.78720 -141.67982 373.68117
285.0000 -144.62446 -142.17405 2.45041 1.76950 -141.94194 351.34029
290.0000 -144.50860 -142.20754 2.30105 1.75339 -142.18057 334.65681
295.0000 -144.47376 -142.14594 2.32781 1.73973 -142.38291 323.65607
300.0000 -144.33862 -141.90136 2.43726 1.76807 -141.96314 348.90499
305.0000 -144.25589 -141.59401 2.66188 1.77913 -141.79940 358.74783
310.0000 -144.43929 -141.95829 2.48100 1.78440 -141.72132 369.33897
315.0000 -144.81796 -142.26431 2.55365 1.75402 -142.17125 332.19097
320.0000 -144.91657 -142.47594 2.44063 1.74688 -142.27701 329.39067
325.0000 -144.73722 -142.57941 2.15781 1.73542 -142.44673 319.71955
330.0000 -144.96749 -142.83402 2.13347 1.72389 -142.61747 309.80214
335.0000 -144.60433 -142.32233 2.28200 1.73719 -142.42058 319.58669
340.0000 -144.54498 -142.11237 2.43262 1.74506 -142.30395 325.17761
345.0000 -144.10381 -141.62355 2.48026 1.75860 -142.10351 341.07185
350.0000 -145.14774 -142.27304 2.87470 1.76107 -142.06684 345.91108
355.0000 -144.47079 -141.71684 2.75396 1.75555 -142.14864 339.00224
360.0000 -144.36521 -141.33337 3.03184 1.78111 -141.77000 361.73169
365.0000 -144.32328 -142.00019 2.32309 1.77794 -141.81699 346.22149
370.0000 -144.47985 -141.73901 2.74084 1.79775 -141.52354 368.00117
375.0000 -143.90441 -141.38619 2.51822 1.80063 -141.48099 365.72213
380.0000 -144.71446 -141.82456 2.88989 1.77513 -141.85861 354.78671
385.0000 -144.27302 -141.12592 3.14710 1.81435 -141.27772 390.00709
390.0000 -144.18574 -141.56965 2.61610 1.82181 -141.16732 397.40132
395.0000 -144.43828 -142.25960 2.17868 1.78487 -141.71435 363.84495
400.0000 -144.44109 -142.03559 2.40550 1.76270 -142.04279 338.20940
405.0000 -144.18072 -141.83066 2.35006 1.77540 -141.85468 357.00348
410.0000 -144.64607 -141.98720 2.65887 1.77281 -141.89298 353.09370
415.0000 -144.50345 -142.02529 2.47816 1.78258 -141.74821 357.65206
420.0000 -143.87622 -141.26603 2.61019 1.78776 -141.67157 355.35504
425.0000 -144.61120 -142.08829 2.52292 1.78640 -141.69163 352.61516
430.0000 -144.41091 -141.85602 2.55489 1.79858 -141.51136 376.89785
435.0000 -144.46685 -141.91541 2.55144 1.78258 -141.74831 353.51370
440.0000 -144.65165 -142.45808 2.19358 1.75933 -142.09257 327.82059
445.0000 -144.28825 -141.57253 2.71573 1.78952 -141.64551 357.47699
450.0000 -143.77769 -141.27660 2.50109 1.79234 -141.60379 361.86586
455.0000 -144.11735 -141.34920 2.76815 1.81097 -141.32787 379.00692
460.0000 -144.50512 -141.98454 2.52058 1.78522 -141.70916 353.57365
465.0000 -143.94665 -141.69770 2.24894 1.75953 -142.08973 331.74217
470.0000 -144.64845 -142.05997 2.58848 1.78363 -141.73275 358.09350
475.0000 -144.31758 -141.75580 2.56178 1.76408 -142.02231 334.15219
480.0000 -144.22996 -141.36821 2.86175 1.77749 -141.82366 349.23607
485.0000 -144.29578 -141.97097 2.32481 1.79672 -141.53891 366.18777
490.0000 -144.34507 -141.78233 2.56273 1.78633 -141.69275 349.75172
495.0000 -143.45993 -140.27804 3.18188 1.83318 -140.99883 397.75907
500.0000 -144.37105 -141.77753 2.59352 1.83956 -140.90430 405.95669
MELTING PROCESS: loop number 3 T-loop= 370.00000000000000
main_MD> interactions number 3 at Temperature= 370.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55681 4.10010 -0.45246
force_rgl> df(natom) -0.69285 -0.91965 0.71010
505.0000 -144.50674 -142.30446 2.20227 1.77168 -141.90971 342.97938
510.0000 -144.84049 -142.15570 2.68480 1.73419 -142.46500 307.18738
515.0000 -143.56260 -140.45867 3.10393 1.80997 -141.34262 387.22007
520.0000 -143.94004 -141.35789 2.58215 1.81543 -141.26176 391.15027
525.0000 -144.42413 -141.52421 2.89992 1.78129 -141.76742 355.28665
530.0000 -144.50652 -141.71455 2.79197 1.78185 -141.75909 362.78576
535.0000 -144.07882 -141.54580 2.53302 1.79392 -141.58025 368.70446
540.0000 -144.97521 -142.36568 2.60952 1.77046 -141.92777 350.26689
545.0000 -144.60789 -142.00526 2.60263 1.76398 -142.02375 346.66918
550.0000 -144.21479 -141.40664 2.80815 1.80047 -141.48324 379.79885
555.0000 -143.92477 -141.44581 2.47897 1.79767 -141.52485 363.46422
560.0000 -144.62114 -142.35227 2.26887 1.77805 -141.81536 346.19272
565.0000 -144.65609 -142.10295 2.55314 1.76102 -142.06754 331.21705
570.0000 -144.61653 -141.81862 2.79791 1.77621 -141.84263 346.30241
575.0000 -143.63223 -140.61167 3.02056 1.83867 -140.91749 399.82962
580.0000 -144.22889 -141.29728 2.93161 1.81209 -141.31121 383.10561
585.0000 -144.73269 -141.60553 3.12717 1.79901 -141.50499 369.19767
590.0000 -144.22106 -141.52479 2.69628 1.79766 -141.52500 369.63540
595.0000 -143.86953 -141.46456 2.40497 1.81204 -141.31201 378.15229
600.0000 -144.22054 -141.73554 2.48500 1.80532 -141.41149 373.60580
605.0000 -144.83671 -142.15671 2.68000 1.77437 -141.86988 348.03241
610.0000 -144.40197 -141.69403 2.70794 1.76077 -142.07126 331.62151
615.0000 -143.74621 -140.93988 2.80633 1.81897 -141.20930 380.66116
620.0000 -144.14608 -141.82702 2.31907 1.81248 -141.30537 387.92235
625.0000 -144.37760 -141.73497 2.64263 1.78764 -141.67328 353.08991
630.0000 -144.20273 -141.80429 2.39844 1.79451 -141.57163 365.04041
635.0000 -144.37164 -141.85804 2.51360 1.75447 -142.16468 327.72194
640.0000 -144.03231 -141.70188 2.33042 1.78413 -141.72525 348.55049
645.0000 -144.96077 -142.04711 2.91366 1.77281 -141.89295 340.32056
650.0000 -144.37907 -141.79128 2.58779 1.77148 -141.91267 347.38951
655.0000 -144.35022 -141.70209 2.64813 1.79075 -141.62732 362.90690
660.0000 -144.15492 -141.23106 2.92385 1.80206 -141.45976 378.43776
665.0000 -144.24971 -141.14704 3.10267 1.82968 -141.05071 398.90821
670.0000 -143.70366 -140.61233 3.09134 1.82820 -141.07267 397.49317
675.0000 -144.44782 -142.04013 2.40769 1.80661 -141.39231 371.36345
680.0000 -144.27365 -141.62175 2.65190 1.76943 -141.94303 342.93214
685.0000 -144.05606 -141.32744 2.72862 1.77760 -141.82201 351.66751
690.0000 -144.42312 -141.60805 2.81507 1.81573 -141.25731 380.76728
695.0000 -144.73972 -141.91631 2.82341 1.80304 -141.44524 373.04670
700.0000 -144.56112 -141.87834 2.68278 1.77042 -141.92834 340.11689
705.0000 -144.28579 -141.98472 2.30106 1.76716 -141.97669 345.53687
710.0000 -144.21081 -141.74987 2.46094 1.78589 -141.69930 367.39293
715.0000 -144.51978 -142.24214 2.27764 1.77675 -141.83469 356.55553
720.0000 -144.26364 -141.44061 2.82303 1.78752 -141.67508 366.21972
725.0000 -144.54615 -141.41349 3.13266 1.80047 -141.48337 380.65485
730.0000 -144.42698 -141.46244 2.96454 1.81246 -141.30572 393.21067
735.0000 -144.31907 -141.81490 2.50417 1.79028 -141.63421 371.90060
740.0000 -144.79092 -142.06274 2.72819 1.79046 -141.63154 371.21557
745.0000 -144.47537 -141.91612 2.55925 1.76913 -141.94746 345.53685
750.0000 -144.03911 -141.15826 2.88085 1.77451 -141.86787 351.70647
MELTING PROCESS: loop number 4 T-loop= 395.00000000000000
main_MD> interactions number 4 at Temperature= 395.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.06609 3.17037 4.37752
force_rgl> df(natom) 1.50006 0.17643 -0.60321
755.0000 -143.94694 -140.90552 3.04143 1.81875 -141.21253 381.65726
760.0000 -143.89755 -141.02752 2.87003 1.83321 -140.99836 390.63760
765.0000 -144.32001 -140.71250 3.60751 1.83246 -141.00956 389.10561
770.0000 -144.20713 -141.29700 2.91013 1.85337 -140.69984 425.13246
775.0000 -144.04968 -140.86622 3.18346 1.84660 -140.80009 422.48292
780.0000 -143.93631 -140.95755 2.97876 1.84900 -140.76448 425.18715
785.0000 -144.26883 -141.34807 2.92076 1.83163 -141.02173 408.90696
790.0000 -143.96156 -141.38049 2.58106 1.81022 -141.33891 374.25767
795.0000 -143.93423 -140.85196 3.08228 1.81580 -141.25626 383.48036
800.0000 -143.83436 -140.10700 3.72736 1.87694 -140.35064 436.90718
805.0000 -143.82592 -141.46877 2.35715 1.85474 -140.67949 420.47478
810.0000 -144.36436 -141.39746 2.96690 1.79420 -141.57624 375.08708
815.0000 -143.64744 -141.10068 2.54676 1.82207 -141.16332 400.11525
820.0000 -144.55329 -141.57454 2.97875 1.82086 -141.18125 397.25672
825.0000 -144.33088 -141.33024 3.00064 1.78373 -141.73130 363.19819
830.0000 -144.13378 -141.29099 2.84279 1.81791 -141.22505 392.96336
835.0000 -143.86883 -141.02366 2.84517 1.82343 -141.14325 402.55797
840.0000 -143.73648 -140.83770 2.89878 1.82991 -141.04731 392.16842
845.0000 -143.73918 -140.74486 2.99432 1.82936 -141.05536 395.23017
850.0000 -143.84370 -140.92058 2.92312 1.82217 -141.16186 392.18613
855.0000 -144.00617 -140.96902 3.03715 1.82093 -141.18034 383.61172
860.0000 -143.72358 -140.09833 3.62526 1.83890 -140.91419 399.71235
865.0000 -143.36024 -140.55348 2.80677 1.87911 -140.31853 445.68737
870.0000 -144.04232 -141.02411 3.01821 1.85359 -140.69660 404.75314
875.0000 -143.63009 -140.50681 3.12328 1.84762 -140.78490 403.58702
880.0000 -144.38429 -141.35354 3.03075 1.83015 -141.04372 395.26896
885.0000 -143.99924 -141.05052 2.94872 1.81557 -141.25970 377.97264
890.0000 -144.04534 -141.28007 2.76527 1.81979 -141.19714 388.43340
895.0000 -144.40401 -141.83972 2.56429 1.79851 -141.51239 360.65500
900.0000 -144.52395 -140.94264 3.58131 1.83693 -140.94326 394.40204
905.0000 -143.72669 -140.69613 3.03056 1.83075 -141.03489 396.73892
910.0000 -144.15737 -141.02681 3.13056 1.84601 -140.80887 411.13686
915.0000 -143.82310 -140.84474 2.97836 1.83293 -141.00261 393.51368
920.0000 -144.07043 -141.03582 3.03462 1.81939 -141.20310 390.21213
925.0000 -144.32321 -141.66833 2.65488 1.82710 -141.08896 390.80077
930.0000 -144.07011 -140.73753 3.33258 1.82009 -141.19265 380.30120
935.0000 -143.69915 -140.68603 3.01311 1.84084 -140.88546 403.38477
940.0000 -142.89177 -139.52186 3.36990 1.88426 -140.24229 445.84538
945.0000 -143.85343 -140.55917 3.29425 1.92298 -139.66875 481.10427
950.0000 -143.55974 -141.04418 2.51556 1.82866 -141.06573 396.38746
955.0000 -144.50904 -141.18508 3.32396 1.80489 -141.41786 376.10651
960.0000 -143.79876 -140.87823 2.92053 1.84677 -140.79756 416.72560
965.0000 -144.58643 -141.51816 3.06827 1.80849 -141.36455 375.56802
970.0000 -144.16571 -140.54980 3.61591 1.83875 -140.91633 412.00371
975.0000 -144.15700 -141.28795 2.86906 1.83673 -140.94624 409.16363
980.0000 -144.24123 -141.13178 3.10945 1.83020 -141.04298 410.27945
985.0000 -144.45449 -141.50976 2.94472 1.80537 -141.41067 386.39405
990.0000 -144.44592 -141.37640 3.06951 1.80387 -141.43292 382.77372
995.0000 -143.77386 -141.20698 2.56688 1.82051 -141.18643 394.95793
1000.0000 -143.99983 -140.55621 3.44362 1.83853 -140.91967 416.90166
MELTING PROCESS: loop number 5 T-loop= 420.00000000000000
main_MD> interactions number 5 at Temperature= 420.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.66792 5.40510 -3.77599
force_rgl> df(natom) -0.20392 0.74886 0.29843
1005.0000 -143.73733 -141.00150 2.73583 1.84813 -140.77739 419.05519
1010.0000 -143.74596 -141.42649 2.31947 1.81416 -141.28050 386.44035
1015.0000 -143.84551 -140.97733 2.86818 1.84024 -140.89431 407.87309
1020.0000 -144.20678 -140.82437 3.38241 1.83927 -140.90864 408.23828
1025.0000 -144.33954 -141.24084 3.09870 1.84344 -140.84689 407.24330
1030.0000 -143.62139 -140.41138 3.21000 1.82334 -141.14461 382.22823
1035.0000 -143.21334 -140.08731 3.12603 1.90384 -139.95232 458.50731
1040.0000 -143.98836 -140.49403 3.49433 1.89314 -140.11078 450.13195
1045.0000 -143.24097 -140.76583 2.47514 1.82618 -141.10246 398.24847
1050.0000 -143.85499 -140.95510 2.89988 1.86744 -140.49147 433.27142
1055.0000 -143.56946 -141.05703 2.51242 1.82156 -141.17102 394.04578
1060.0000 -144.58250 -141.10428 3.47822 1.83057 -141.03756 400.74251
1065.0000 -144.34521 -141.26058 3.08462 1.83716 -140.93990 410.61292
1070.0000 -143.99766 -140.73929 3.25837 1.84609 -140.80765 401.22314
1075.0000 -143.86562 -140.92206 2.94356 1.84181 -140.87098 405.76419
1080.0000 -143.15476 -140.47289 2.68187 1.86158 -140.57827 423.99700
1085.0000 -143.69866 -140.29107 3.40758 1.85974 -140.60540 417.80777
1090.0000 -142.96570 -140.18265 2.78305 1.88092 -140.29169 425.87699
1095.0000 -143.31558 -140.49547 2.82010 1.87582 -140.36725 425.52810
1100.0000 -143.84137 -140.79462 3.04675 1.85417 -140.68791 413.70951
1105.0000 -143.81387 -140.44743 3.36644 1.86458 -140.53380 422.23722
1110.0000 -143.88697 -141.25152 2.63545 1.84494 -140.82464 404.47224
1115.0000 -143.80120 -140.83940 2.96180 1.84501 -140.82358 406.40227
1120.0000 -144.04342 -140.82009 3.22333 1.85542 -140.66952 417.15483
1125.0000 -143.01640 -139.95473 3.06167 1.86607 -140.51175 430.60645
1130.0000 -142.97865 -140.29798 2.68066 1.88836 -140.18161 449.98514
1135.0000 -143.19623 -140.05761 3.13861 1.88914 -140.17007 441.81699
1140.0000 -142.89304 -139.98559 2.90746 1.88519 -140.22849 441.82413
1145.0000 -144.04355 -140.75618 3.28737 1.88363 -140.25159 459.60594
1150.0000 -144.12855 -141.12507 3.00348 1.85839 -140.62550 430.12645
1155.0000 -143.87328 -140.73339 3.13989 1.82627 -141.10125 402.29850
1160.0000 -143.94149 -140.47350 3.46799 1.83683 -140.94474 407.99033
1165.0000 -143.78356 -141.33742 2.44613 1.82145 -141.17263 388.98472
1170.0000 -143.77000 -140.73034 3.03966 1.81876 -141.21242 383.76868
1175.0000 -143.90491 -140.57954 3.32537 1.83734 -140.93727 407.24975
1180.0000 -143.87563 -140.26327 3.61237 1.87805 -140.33433 441.44009
1185.0000 -143.56565 -140.51829 3.04736 1.87789 -140.33658 437.55734
1190.0000 -144.55582 -141.30606 3.24976 1.85577 -140.66429 419.91311
1195.0000 -143.63832 -140.14490 3.49342 1.85453 -140.68258 421.64437
1200.0000 -143.48853 -140.76705 2.72148 1.88719 -140.19886 441.57930
1205.0000 -143.98758 -141.10413 2.88344 1.84019 -140.89506 402.89092
1210.0000 -144.14126 -140.82066 3.32060 1.82164 -141.16974 387.36557
1215.0000 -143.65421 -140.82617 2.82803 1.85110 -140.73336 415.82750
1220.0000 -143.77790 -140.70573 3.07217 1.85718 -140.64331 418.42396
1225.0000 -143.95189 -140.69152 3.26037 1.84497 -140.82422 400.51321
1230.0000 -143.85013 -141.00658 2.84355 1.84683 -140.79664 424.30569
1235.0000 -143.82234 -141.04190 2.78044 1.83928 -140.90854 408.99411
1240.0000 -144.49190 -140.68815 3.80375 1.83939 -140.90689 412.89925
1245.0000 -143.63250 -140.61246 3.02004 1.84791 -140.78060 415.46896
1250.0000 -143.82510 -140.70686 3.11824 1.84094 -140.88391 406.58837
MELTING PROCESS: loop number 6 T-loop= 445.00000000000000
main_MD> interactions number 6 at Temperature= 445.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.00136 -3.51393 1.47858
force_rgl> df(natom) -0.15487 0.62628 0.62566
1255.0000 -143.05215 -140.19225 2.85990 1.86991 -140.45484 419.78122
1260.0000 -144.19326 -140.33939 3.85387 1.87768 -140.33979 438.35789
1265.0000 -144.48389 -140.72642 3.75747 1.88472 -140.23551 452.78836
1270.0000 -143.50639 -140.13982 3.36657 1.89356 -140.10458 453.91321
1275.0000 -143.80098 -140.68914 3.11184 1.89556 -140.07500 455.81038
1280.0000 -144.16170 -140.59421 3.56748 1.86778 -140.48636 429.07066
1285.0000 -143.94667 -140.75748 3.18918 1.85303 -140.70478 417.89322
1290.0000 -144.04526 -141.04608 2.99917 1.84877 -140.76794 405.17886
1295.0000 -143.85770 -141.01093 2.84677 1.82606 -141.10436 385.89609
1300.0000 -144.00494 -140.84786 3.15708 1.83098 -141.03149 390.83881
1305.0000 -143.63566 -140.52487 3.11079 1.87543 -140.37305 441.12278
1310.0000 -143.98874 -140.80842 3.18032 1.87761 -140.34084 446.93820
1315.0000 -143.77046 -140.59424 3.17622 1.86735 -140.49269 441.91808
1320.0000 -143.30468 -139.88160 3.42307 1.88259 -140.26697 442.14202
1325.0000 -143.81190 -140.78123 3.03068 1.88010 -140.30384 438.20017
1330.0000 -143.36434 -140.43192 2.93242 1.85478 -140.67892 415.16281
1335.0000 -143.64194 -140.15010 3.49183 1.88185 -140.27796 434.72774
1340.0000 -143.96842 -140.71858 3.24985 1.86833 -140.47828 428.39861
1345.0000 -143.50262 -140.39819 3.10443 1.84328 -140.84923 409.11341
1350.0000 -143.01652 -139.44943 3.56709 1.91633 -139.76737 472.39653
1355.0000 -143.43901 -139.58743 3.85158 1.92213 -139.68133 477.56378
1360.0000 -143.04033 -139.90996 3.13037 1.90387 -139.95180 463.34636
1365.0000 -143.59497 -140.60349 2.99148 1.90307 -139.96364 474.45084
1370.0000 -143.99810 -140.83708 3.16102 1.83962 -140.90344 417.64653
1375.0000 -144.53677 -140.83566 3.70111 1.85134 -140.72984 432.98363
1380.0000 -144.24324 -141.27228 2.97096 1.83802 -140.92709 404.98018
1385.0000 -143.28259 -140.66641 2.61618 1.86970 -140.45800 434.12935
1390.0000 -142.77880 -139.58545 3.19335 1.89842 -140.03258 450.65660
1395.0000 -143.59278 -140.30286 3.28992 1.92044 -139.70645 473.27642
1400.0000 -143.11417 -140.25414 2.86003 1.86139 -140.58107 428.15741
1405.0000 -143.37510 -140.19124 3.18386 1.88845 -140.18020 443.54755
1410.0000 -143.76838 -139.95337 3.81501 1.88201 -140.27560 443.13196
1415.0000 -143.24827 -139.28885 3.95941 1.93474 -139.49458 481.56190
1420.0000 -142.32000 -139.01314 3.30687 1.96369 -139.06585 515.62530
1425.0000 -142.98476 -139.47983 3.50492 1.93250 -139.52787 477.83989
1430.0000 -144.01727 -140.59396 3.42331 1.88590 -140.21806 442.48222
1435.0000 -143.18711 -139.79375 3.39336 1.90013 -140.00723 449.51777
1440.0000 -143.12853 -139.40002 3.72852 1.93357 -139.51199 490.33705
1445.0000 -143.32812 -140.17832 3.14980 1.94525 -139.33896 490.80204
1450.0000 -144.34196 -141.35514 2.98683 1.85216 -140.71771 413.04524
1455.0000 -143.63900 -141.13182 2.50719 1.82701 -141.09016 402.71385
1460.0000 -144.28889 -141.34856 2.94033 1.82008 -141.19286 396.06836
1465.0000 -144.26772 -141.08266 3.18507 1.83476 -140.97546 411.15214
1470.0000 -144.29699 -140.78606 3.51093 1.87415 -140.39199 447.71178
1475.0000 -143.51165 -140.91166 2.59999 1.86056 -140.59336 427.07910
1480.0000 -144.21268 -140.98152 3.23117 1.82689 -141.09204 398.15967
1485.0000 -143.37977 -140.67708 2.70270 1.83664 -140.94763 399.56691
1490.0000 -144.00445 -140.12673 3.87772 1.87107 -140.43766 431.11661
1495.0000 -142.96357 -139.98996 2.97361 1.91249 -139.82419 473.51028
1500.0000 -143.09262 -139.26580 3.82682 1.89796 -140.03945 452.02371
MELTING PROCESS: loop number 7 T-loop= 470.00000000000000
main_MD> interactions number 7 at Temperature= 470.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.70767 -1.90016 5.67518
force_rgl> df(natom) 0.12953 -2.35279 2.01016
1505.0000 -142.61493 -139.54510 3.06983 1.95440 -139.20351 501.74434
1510.0000 -143.00425 -138.92492 4.07933 1.93586 -139.47801 482.78743
1515.0000 -143.39015 -139.16828 4.22188 1.94521 -139.33961 502.05921
1520.0000 -144.37820 -140.47382 3.90438 1.93831 -139.44180 489.38467
1525.0000 -142.84134 -139.62713 3.21421 1.90443 -139.94356 459.42655
1530.0000 -143.82439 -140.27294 3.55146 1.90061 -140.00011 464.66211
1535.0000 -143.07508 -139.51825 3.55683 1.91322 -139.81339 471.69690
1540.0000 -143.25719 -139.65238 3.60481 1.92988 -139.56658 485.50286
1545.0000 -143.37744 -139.56920 3.80825 1.94543 -139.33636 507.16900
1550.0000 -143.35946 -140.00471 3.35474 1.91813 -139.74065 473.64563
1555.0000 -142.34694 -138.78456 3.56239 1.94004 -139.41611 497.87039
1560.0000 -142.29063 -138.64486 3.64577 2.00824 -138.40605 554.18743
1565.0000 -142.83128 -139.21242 3.61886 1.98327 -138.77593 532.30394
1570.0000 -143.11184 -139.33119 3.78065 1.92777 -139.59786 479.09273
1575.0000 -143.34098 -139.39949 3.94149 1.92330 -139.66404 481.01536
1580.0000 -142.61513 -139.46515 3.14998 1.96225 -139.08713 518.90995
1585.0000 -143.03251 -139.72426 3.30826 1.92886 -139.58180 481.37220
1590.0000 -143.32561 -140.16490 3.16072 1.91632 -139.76742 464.53400
1595.0000 -143.03504 -139.58961 3.44543 1.89800 -140.03886 451.62579
1600.0000 -143.34810 -139.76457 3.58353 1.92571 -139.62837 468.13613
1605.0000 -142.67204 -139.09757 3.57448 1.96214 -139.08889 498.53242
1610.0000 -143.35607 -139.60413 3.75194 1.92991 -139.56614 477.72145
1615.0000 -142.57818 -139.26333 3.31485 1.93397 -139.50610 471.87872
1620.0000 -142.38461 -138.53832 3.84629 1.99006 -138.67537 494.58269
1625.0000 -142.66526 -139.00283 3.66244 1.98426 -138.76119 505.49634
1630.0000 -143.59532 -140.15517 3.44015 1.93265 -139.52566 461.47241
1635.0000 -142.93019 -140.12186 2.80833 1.91256 -139.82321 459.13967
1640.0000 -142.94062 -138.91037 4.03025 1.94493 -139.34365 469.16775
1645.0000 -142.28909 -138.91210 3.37699 1.98121 -138.80639 511.08417
1650.0000 -142.61842 -138.69967 3.91875 1.98963 -138.68171 508.45662
1655.0000 -142.93925 -139.29452 3.64473 1.97633 -138.87872 500.30363
1660.0000 -143.40069 -139.21587 4.18482 1.94164 -139.39247 471.18716
1665.0000 -142.86992 -138.98093 3.88899 1.98243 -138.78830 511.74657
1670.0000 -143.06009 -139.49822 3.56187 1.94992 -139.26978 478.27842
1675.0000 -143.54511 -140.08463 3.46048 1.92204 -139.68271 472.06998
1680.0000 -143.38853 -140.21028 3.17825 1.89771 -140.04315 439.84190
1685.0000 -142.93637 -139.53066 3.40571 1.88958 -140.16351 420.66221
1690.0000 -143.71689 -139.85038 3.86651 1.92648 -139.61694 459.81265
1695.0000 -143.03548 -139.36374 3.67174 1.92875 -139.58333 488.33129
1700.0000 -143.07397 -138.69868 4.37529 1.95340 -139.21829 500.74327
1705.0000 -143.22093 -140.03237 3.18856 1.94955 -139.27522 491.62223
1710.0000 -143.22064 -139.69899 3.52164 1.89950 -140.01652 453.54084
1715.0000 -142.50494 -139.35534 3.14960 1.93800 -139.44634 493.93899
1720.0000 -143.08494 -139.41212 3.67281 1.95165 -139.24421 498.02817
1725.0000 -142.72246 -139.10210 3.62035 1.96102 -139.10543 513.93174
1730.0000 -142.74935 -139.95967 2.78968 1.94639 -139.32213 503.79894
1735.0000 -143.80694 -140.27887 3.52807 1.88966 -140.16236 458.38829
1740.0000 -143.39474 -140.36777 3.02696 1.90362 -139.95553 462.28606
1745.0000 -143.08631 -139.50758 3.57873 1.91899 -139.72795 478.16552
1750.0000 -143.65535 -139.94012 3.71524 1.88887 -140.17398 451.17106
MELTING PROCESS: loop number 8 T-loop= 495.00000000000000
main_MD> interactions number 8 at Temperature= 495.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.76457 -3.51325 0.20204
force_rgl> df(natom) -1.64771 -2.55572 -0.67280
1755.0000 -142.60063 -139.17559 3.42504 1.91670 -139.76184 467.14899
1760.0000 -142.72127 -139.23526 3.48601 1.94371 -139.36172 485.68487
1765.0000 -142.52666 -138.37123 4.15543 1.99262 -138.63741 530.99882
1770.0000 -142.95171 -138.73218 4.21953 1.99793 -138.55873 537.30267
1775.0000 -142.54682 -138.56993 3.97689 1.98338 -138.77422 489.04763
1780.0000 -142.35290 -138.62276 3.73014 1.97215 -138.94060 494.80905
1785.0000 -142.18533 -139.15989 3.02543 1.96968 -138.97713 471.33691
1790.0000 -142.53829 -139.30894 3.22935 1.92594 -139.62492 448.51469
1795.0000 -142.16965 -138.53502 3.63463 1.99276 -138.63531 503.52598
1800.0000 -141.76505 -138.03371 3.73134 2.02759 -138.11941 546.33503
1805.0000 -142.56778 -139.18842 3.37936 1.99485 -138.60431 505.53770
1810.0000 -142.44758 -138.45717 3.99042 1.99893 -138.54390 514.80150
1815.0000 -142.00055 -138.17162 3.82892 2.04096 -137.92145 545.25234
1820.0000 -142.97330 -138.88400 4.08930 1.97786 -138.85603 515.50416
1825.0000 -142.23701 -138.84485 3.39216 1.97490 -138.89981 517.36166
1830.0000 -142.18854 -138.98207 3.20647 1.99051 -138.66867 521.85697
1835.0000 -142.47265 -138.59140 3.88124 1.98363 -138.77056 514.16714
1840.0000 -143.16106 -139.28260 3.87847 1.96255 -139.08278 492.04139
1845.0000 -142.88164 -139.86814 3.01350 1.93033 -139.55991 469.33081
1850.0000 -143.44374 -139.94688 3.49686 1.89091 -140.14377 433.94476
1855.0000 -143.24183 -138.95504 4.28679 1.93449 -139.49834 474.14948
1860.0000 -142.27004 -138.43982 3.83022 2.00209 -138.49706 554.13800
1865.0000 -143.28415 -139.65946 3.62469 1.96798 -139.00229 512.21168
1870.0000 -143.18366 -139.28649 3.89717 1.95230 -139.23455 494.35306
1875.0000 -142.42770 -139.07877 3.34892 1.95164 -139.24431 505.18701
1880.0000 -143.61519 -139.87054 3.74465 1.93195 -139.53603 481.78356
1885.0000 -141.57450 -138.16640 3.40810 1.96170 -139.09535 503.42563
1890.0000 -143.48351 -139.83818 3.64534 1.94488 -139.34453 488.27864
1895.0000 -142.94635 -139.90609 3.04025 1.89571 -140.07268 442.32084
1900.0000 -142.52595 -139.07859 3.44736 1.92376 -139.65726 448.14545
1905.0000 -143.53819 -140.17497 3.36322 1.92193 -139.68433 447.03031
1910.0000 -143.04481 -140.04281 3.00200 1.87829 -140.33068 419.02944
1915.0000 -142.41171 -139.01820 3.39351 1.91361 -139.80758 445.17716
1920.0000 -142.97904 -139.29927 3.67977 1.98126 -138.80567 493.40215
1925.0000 -142.49026 -139.17971 3.31056 1.95757 -139.15656 467.34827
1930.0000 -142.05706 -137.89188 4.16518 2.00113 -138.51137 526.36706
1935.0000 -142.85617 -139.72305 3.13312 2.01738 -138.27069 528.15116
1940.0000 -141.93414 -137.89568 4.03847 1.96156 -139.09746 484.77235
1945.0000 -142.64553 -138.63209 4.01344 2.01817 -138.25900 542.27870
1950.0000 -141.75952 -138.27467 3.48485 2.02638 -138.13742 549.11623
1955.0000 -142.27866 -138.10275 4.17592 2.01890 -138.24812 495.01885
1960.0000 -142.08590 -137.35776 4.72814 2.04868 -137.80702 545.01335
1965.0000 -141.58513 -137.75363 3.83151 2.09196 -137.16602 616.42610
1970.0000 -142.77080 -138.30994 4.46085 2.00512 -138.45225 531.07722
1975.0000 -142.83859 -139.53740 3.30118 1.95534 -139.18947 507.40034
1980.0000 -142.77044 -139.21088 3.55956 1.93577 -139.47940 481.58621
1985.0000 -141.73920 -138.12669 3.61251 1.97045 -138.96576 530.45031
1990.0000 -142.90961 -139.25770 3.65192 1.99948 -138.53571 525.19547
1995.0000 -142.85449 -138.92154 3.93295 1.96707 -139.01580 510.87515
2000.0000 -142.73292 -139.16530 3.56761 1.97716 -138.86636 523.10447
MELTING PROCESS: loop number 9 T-loop= 520.00000000000000
main_MD> interactions number 9 at Temperature= 520.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.63267 -3.23670 2.54685
force_rgl> df(natom) -1.82850 2.50809 -1.56250
2005.0000 -142.70945 -138.80408 3.90537 1.97386 -138.91523 519.67664
2010.0000 -142.21748 -138.19100 4.02648 2.00124 -138.50970 550.58529
2015.0000 -142.86152 -138.34147 4.52005 1.99823 -138.55433 528.70026
2020.0000 -143.06289 -138.93050 4.13239 1.99234 -138.64148 533.88812
2025.0000 -142.29616 -137.08587 5.21030 2.03301 -138.03917 568.64816
2030.0000 -141.42825 -138.04081 3.38745 2.04100 -137.92080 572.90365
2035.0000 -142.65313 -138.96244 3.69069 1.99401 -138.61684 536.27306
2040.0000 -143.11735 -139.43477 3.68258 1.95330 -139.21975 498.90703
2045.0000 -143.48405 -139.69731 3.78674 1.94927 -139.27947 499.66179
2050.0000 -142.74066 -138.92804 3.81262 1.95688 -139.16675 515.52654
2055.0000 -142.74119 -139.21610 3.52509 1.97324 -138.92448 519.52847
2060.0000 -142.62018 -139.43879 3.18138 1.96645 -139.02494 516.25141
2065.0000 -143.06159 -138.82755 4.23404 1.93334 -139.51539 493.83405
2070.0000 -142.95623 -139.40401 3.55221 1.92605 -139.62334 483.62127
2075.0000 -142.90103 -138.78122 4.11982 1.92836 -139.58907 482.20575
2080.0000 -142.84749 -139.50621 3.34128 1.94201 -139.38691 494.68108
2085.0000 -143.31012 -138.80265 4.50747 1.96074 -139.10950 510.57724
2090.0000 -143.03296 -139.03184 4.00112 1.95372 -139.21349 506.39792
2095.0000 -142.66315 -138.23448 4.42866 1.99165 -138.65176 535.95237
2100.0000 -142.38426 -137.88558 4.49868 2.04712 -137.83025 596.55990
2105.0000 -142.55552 -137.96711 4.58841 2.01315 -138.33335 553.78688
2110.0000 -142.19705 -138.38134 3.81571 2.02949 -138.09132 572.25906
2115.0000 -142.46167 -138.75969 3.70199 1.97681 -138.87155 517.76566
2120.0000 -143.13577 -139.26983 3.86594 1.95381 -139.21218 498.67803
2125.0000 -142.87348 -138.47613 4.39735 2.01429 -138.31640 555.93201
2130.0000 -143.05332 -138.99128 4.06204 1.98871 -138.69534 536.71296
2135.0000 -142.91562 -139.45607 3.45956 1.98384 -138.76737 544.99995
2140.0000 -143.53757 -140.41965 3.11793 1.89218 -140.12497 465.06811
2145.0000 -142.51494 -138.56638 3.94856 1.96192 -139.09212 510.06499
2150.0000 -142.72715 -138.98616 3.74099 1.97930 -138.83466 532.61980
2155.0000 -142.94883 -139.08832 3.86051 1.96882 -138.98989 506.48918
2160.0000 -142.55505 -138.58210 3.97295 1.99191 -138.64793 529.93896
2165.0000 -142.86037 -139.19615 3.66423 1.97379 -138.91627 524.05710
2170.0000 -142.37682 -138.36176 4.01506 1.96967 -138.97725 522.91468
2175.0000 -142.91031 -139.37181 3.53850 1.95170 -139.24351 504.88965
2180.0000 -142.87612 -138.32854 4.54758 1.95995 -139.12125 512.98169
2185.0000 -142.64373 -138.76782 3.87591 2.00634 -138.43418 549.51698
2190.0000 -143.11661 -139.16960 3.94701 2.00554 -138.44609 557.60554
2195.0000 -143.44608 -139.78877 3.65731 1.93183 -139.53780 489.62783
2200.0000 -143.07657 -138.76430 4.31226 1.96656 -139.02332 507.33507
2205.0000 -142.90014 -138.63628 4.26385 1.98756 -138.71235 526.23985
2210.0000 -142.35696 -138.98376 3.37321 2.00007 -138.52699 552.78752
2215.0000 -142.53960 -139.18751 3.35209 1.94986 -139.27075 502.13652
2220.0000 -142.48684 -138.21998 4.26687 1.99271 -138.63605 544.93079
2225.0000 -143.20610 -139.54434 3.66176 1.96617 -139.02915 516.68046
2230.0000 -142.98643 -140.15230 2.83413 1.91932 -139.72299 471.51675
2235.0000 -142.92889 -139.23528 3.69361 1.95036 -139.26333 503.36714
2240.0000 -142.70807 -138.41965 4.28842 1.98081 -138.81234 531.05638
2245.0000 -143.14909 -139.58587 3.56323 1.98788 -138.70764 531.57971
2250.0000 -143.56007 -140.15800 3.40207 1.91612 -139.77035 481.25808
MELTING PROCESS: loop number 10 T-loop= 545.00000000000000
main_MD> interactions number 10 at Temperature= 545.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -8.17154 3.18894 -0.53427
force_rgl> df(natom) -7.11115 0.70579 1.65143
2255.0000 -143.01596 -139.62565 3.39031 1.89595 -140.06922 464.64959
2260.0000 -143.32380 -139.60891 3.71489 1.92521 -139.63581 498.57179
2265.0000 -143.18712 -138.55360 4.63352 1.97172 -138.94694 532.76884
2270.0000 -143.19717 -139.93818 3.25899 1.91626 -139.76830 484.98531
2275.0000 -143.40784 -140.23528 3.17257 1.92052 -139.70524 487.91546
2280.0000 -142.87918 -138.65529 4.22389 1.93410 -139.50407 503.99294
2285.0000 -142.94478 -139.71240 3.23238 1.97266 -138.93302 532.42037
2290.0000 -142.48916 -138.36303 4.12612 1.95770 -139.15464 504.84792
2295.0000 -142.18200 -138.33785 3.84414 2.01827 -138.25743 561.71424
2300.0000 -143.20463 -139.35974 3.84489 1.95505 -139.19376 509.85057
2305.0000 -143.24682 -139.12888 4.11794 1.95947 -139.12842 507.42960
2310.0000 -142.52190 -137.95875 4.56315 2.00415 -138.46662 553.11461
2315.0000 -141.90652 -138.01784 3.88868 2.03661 -137.98584 583.89769
2320.0000 -142.25225 -138.69141 3.56084 2.01646 -138.28423 552.34064
2325.0000 -141.89412 -137.14916 4.74495 2.04543 -137.85525 591.27866
2330.0000 -141.07765 -136.96232 4.11533 2.11165 -136.87437 594.76638
2335.0000 -141.41968 -137.26636 4.15332 2.10408 -136.98657 552.62966
2340.0000 -140.61451 -136.62131 3.99320 2.09465 -137.12627 541.88877
2345.0000 -140.10664 -135.67539 4.43125 2.17786 -135.89375 602.17990
2350.0000 -140.37383 -136.15615 4.21768 2.13363 -136.54893 554.96836
2355.0000 -140.43570 -136.31662 4.11908 2.12883 -136.61998 558.57209
2360.0000 -140.99570 -136.80546 4.19024 2.16396 -136.09961 603.16021
2365.0000 -141.27863 -137.54532 3.73332 2.06177 -137.61317 523.34401
2370.0000 -140.78819 -136.77429 4.01389 2.08829 -137.22045 538.24109
2375.0000 -141.36717 -137.85277 3.51440 2.11767 -136.78533 572.07136
2380.0000 -142.04920 -137.92017 4.12903 2.03709 -137.97867 524.43156
2385.0000 -141.32703 -137.66794 3.65909 2.08487 -137.27100 532.21124
2390.0000 -141.66616 -137.71807 3.94809 2.06347 -137.58799 511.73592
2395.0000 -142.54856 -138.26818 4.28038 2.03385 -138.02672 513.01006
2400.0000 -141.65038 -137.94794 3.70243 2.02706 -138.12730 505.31072
2405.0000 -141.08890 -137.14277 3.94613 2.05984 -137.64182 532.89017
2410.0000 -140.89843 -136.50631 4.39212 2.11464 -136.83011 575.45840
2415.0000 -140.36227 -136.25088 4.11139 2.12091 -136.73723 581.09075
2420.0000 -141.35007 -136.30377 5.04630 2.17919 -135.87406 629.31403
2425.0000 -140.58692 -136.01187 4.57505 2.14244 -136.41841 567.48740
2430.0000 -140.65927 -136.45426 4.20502 2.11732 -136.79053 574.42312
2435.0000 -140.72732 -136.71503 4.01229 2.14362 -136.40086 596.49936
2440.0000 -141.30155 -137.20409 4.09746 2.12598 -136.66223 589.98072
2445.0000 -142.15591 -138.54757 3.60835 2.05222 -137.75472 523.65244
2450.0000 -141.37709 -137.22464 4.15245 2.03343 -138.03295 516.31144
2455.0000 -141.26243 -137.60887 3.65356 2.04162 -137.91158 514.94939
2460.0000 -140.76866 -137.06269 3.70597 2.10105 -137.03138 552.70072
2465.0000 -141.59340 -138.28358 3.30982 2.04452 -137.86863 514.50205
2470.0000 -142.27241 -138.50435 3.76805 2.01343 -138.32913 493.48780
2475.0000 -141.50705 -137.56094 3.94612 2.03168 -138.05883 500.17851
2480.0000 -141.96739 -138.12972 3.83767 2.00586 -138.44129 494.49882
2485.0000 -141.74198 -138.02571 3.71627 2.05805 -137.66823 511.29662
2490.0000 -141.58318 -138.47768 3.10551 2.04922 -137.79908 523.98567
2495.0000 -141.19257 -136.93541 4.25716 2.05232 -137.75321 535.27959
2500.0000 -141.16426 -137.38784 3.77642 2.09049 -137.18782 563.65313
MELTING PROCESS: loop number 11 T-loop= 570.00000000000000
main_MD> interactions number 11 at Temperature= 570.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.60777 3.03743 0.60939
force_rgl> df(natom) -0.36174 2.03986 0.54700
2505.0000 -140.07985 -136.10481 3.97504 2.14412 -136.39348 570.48933
2510.0000 -140.27029 -135.79894 4.47135 2.16235 -136.12349 596.23203
2515.0000 -140.87728 -135.64239 5.23489 2.22962 -135.12715 642.60903
2520.0000 -140.84181 -136.43954 4.40228 2.17165 -135.98580 612.23393
2525.0000 -140.34946 -136.45280 3.89666 2.11846 -136.77359 556.74016
2530.0000 -140.46394 -136.44181 4.02213 2.13955 -136.46118 587.63389
2535.0000 -141.88600 -137.39743 4.48857 2.13546 -136.52182 609.60070
2540.0000 -141.95656 -138.23888 3.71768 2.03542 -138.00349 531.81384
2545.0000 -141.73808 -136.78306 4.95502 2.07614 -137.40033 566.56182
2550.0000 -141.26663 -136.95124 4.31539 2.10195 -137.01812 597.39298
2555.0000 -141.31086 -137.59020 3.72066 2.06556 -137.55708 549.37133
2560.0000 -141.70834 -136.98786 4.72048 2.10286 -137.00468 597.97861
2565.0000 -142.10767 -137.43477 4.67291 2.09146 -137.17354 608.81991
2570.0000 -142.35124 -138.21966 4.13159 2.03231 -138.04959 567.56117
2575.0000 -142.41228 -138.60731 3.80498 2.00982 -138.38267 548.49997
2580.0000 -142.66778 -138.56980 4.09798 1.98884 -138.69344 521.34800
2585.0000 -141.97813 -137.30781 4.67032 2.04308 -137.88998 583.76780
2590.0000 -142.21523 -137.56378 4.65145 2.08610 -137.25286 630.77856
2595.0000 -141.83127 -137.46683 4.36443 2.07112 -137.47475 601.36037
2600.0000 -142.25861 -138.00513 4.25348 2.03978 -137.93890 573.04158
2605.0000 -142.71977 -139.29146 3.42831 2.03588 -137.99669 570.82532
2610.0000 -142.03614 -138.07906 3.95708 2.02265 -138.19260 552.25694
2615.0000 -142.51829 -138.06167 4.45662 2.03616 -137.99250 570.10513
2620.0000 -141.27036 -136.77274 4.49762 2.06006 -137.63851 540.26993
2625.0000 -141.43009 -136.65662 4.77347 2.14739 -136.34504 621.05371
2630.0000 -140.76977 -136.69448 4.07529 2.15005 -136.30576 609.59446
2635.0000 -140.65480 -136.20579 4.44901 2.11181 -136.87208 576.03576
2640.0000 -140.60947 -137.00389 3.60559 2.11787 -136.78236 569.89216
2645.0000 -141.69166 -137.98859 3.70308 2.04140 -137.91487 523.53944
2650.0000 -140.99197 -136.93417 4.05780 2.06509 -137.56406 552.16206
2655.0000 -142.51233 -137.88626 4.62607 2.07816 -137.37050 562.98212
2660.0000 -140.74642 -136.73983 4.00659 2.07445 -137.42541 575.07055
2665.0000 -140.29390 -136.03537 4.25853 2.14689 -136.35247 598.68950
2670.0000 -140.34770 -136.14615 4.20155 2.16598 -136.06981 600.10707
2675.0000 -139.62434 -135.78237 3.84197 2.15425 -136.24354 578.00983
2680.0000 -140.92102 -136.69919 4.22184 2.14808 -136.33489 580.20224
2685.0000 -140.32281 -135.41214 4.91067 2.11601 -136.80991 573.17000
2690.0000 -140.57935 -136.22307 4.35628 2.15115 -136.28945 599.35346
2695.0000 -140.60812 -136.46315 4.14498 2.14246 -136.41812 607.10787
2700.0000 -140.85151 -136.27804 4.57347 2.07872 -137.36219 533.87260
2705.0000 -141.13884 -135.98189 5.15695 2.16722 -136.05132 618.60429
2710.0000 -140.92177 -136.60273 4.31904 2.12385 -136.69368 596.96842
2715.0000 -141.98845 -137.89181 4.09664 2.06863 -137.51167 533.02610
2720.0000 -142.28102 -137.87815 4.40287 2.00270 -138.48802 498.19119
2725.0000 -141.52905 -137.57788 3.95117 2.02612 -138.14125 511.52319
2730.0000 -140.22734 -136.04953 4.17781 2.12163 -136.72665 559.05306
2735.0000 -140.84800 -135.93523 4.91277 2.14959 -136.31254 601.23670
2740.0000 -140.67490 -135.96234 4.71256 2.16538 -136.07863 636.43247
2745.0000 -141.27058 -136.75681 4.51377 2.13672 -136.50314 567.90320
2750.0000 -140.75795 -136.65850 4.09945 2.11558 -136.81616 579.00522
MELTING PROCESS: loop number 12 T-loop= 595.00000000000000
main_MD> interactions number 12 at Temperature= 595.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.36895 -3.20911 -0.77193
force_rgl> df(natom) 5.90557 4.53030 -1.14426
2755.0000 -141.08972 -136.96745 4.12227 2.14136 -136.43441 587.63079
2760.0000 -141.93096 -137.73548 4.19548 2.08996 -137.19566 564.38930
2765.0000 -141.70883 -136.92247 4.78636 2.05401 -137.72813 534.32026
2770.0000 -141.54904 -137.39756 4.15148 2.11313 -136.85250 570.63339
2775.0000 -140.17798 -136.51266 3.66532 2.13020 -136.59967 569.47511
2780.0000 -140.64125 -136.59198 4.04926 2.10985 -136.90113 546.02337
2785.0000 -140.59943 -136.61497 3.98447 2.14211 -136.42330 577.02014
2790.0000 -141.12669 -136.74607 4.38062 2.10946 -136.90687 539.99224
2795.0000 -140.85826 -136.28725 4.57102 2.14633 -136.36073 571.64151
2800.0000 -140.58824 -135.83762 4.75062 2.14408 -136.39408 586.99272
2805.0000 -141.34435 -136.78428 4.56008 2.16216 -136.12639 618.94530
2810.0000 -140.50698 -136.78269 3.72429 2.10993 -136.89998 576.60655
2815.0000 -140.21947 -134.34311 5.87636 2.15067 -136.29655 588.25688
2820.0000 -139.78520 -135.60769 4.17751 2.23835 -134.99784 664.34637
2825.0000 -141.51691 -137.56234 3.95456 2.15178 -136.28005 610.17648
2830.0000 -140.44160 -136.04623 4.39537 2.11063 -136.88952 567.95869
2835.0000 -141.12980 -136.82764 4.30216 2.13729 -136.49469 567.40648
2840.0000 -140.88479 -137.05082 3.83397 2.08496 -137.26973 549.55630
2845.0000 -141.85082 -137.73633 4.11449 2.11683 -136.79774 572.08143
2850.0000 -141.20890 -136.99709 4.21181 2.11805 -136.77964 584.93665
2855.0000 -141.89030 -137.50460 4.38570 2.11900 -136.76564 614.04746
2860.0000 -141.72832 -137.61927 4.10906 2.07477 -137.42064 547.95849
2865.0000 -140.99768 -136.46671 4.53098 2.11779 -136.78349 602.53763
2870.0000 -142.06103 -138.66713 3.39390 2.06461 -137.57120 572.26590
2875.0000 -142.43856 -138.30831 4.13025 2.01326 -138.33164 534.63462
2880.0000 -141.70046 -137.18896 4.51150 2.02986 -138.08580 551.71340
2885.0000 -140.92455 -137.05759 3.86696 2.07644 -137.39594 556.98759
2890.0000 -141.21205 -137.01583 4.19622 2.11357 -136.84603 569.39667
2895.0000 -141.85934 -137.97366 3.88569 2.08047 -137.33620 555.17878
2900.0000 -140.85648 -136.83841 4.01807 2.06478 -137.56856 552.71804
2905.0000 -140.84499 -136.86423 3.98077 2.10872 -136.91783 555.23487
2910.0000 -140.18629 -136.37627 3.81002 2.11897 -136.76596 549.30614
2915.0000 -140.74280 -136.34229 4.40051 2.15200 -136.27687 570.83795
2920.0000 -139.97747 -136.12364 3.85383 2.18357 -135.80916 614.35483
2925.0000 -140.25497 -135.78531 4.46966 2.17278 -135.96906 587.44922
2930.0000 -140.66576 -136.64754 4.01821 2.12325 -136.70256 582.05138
2935.0000 -140.53859 -135.51533 5.02326 2.14405 -136.39459 585.82698
2940.0000 -140.29283 -135.85274 4.44009 2.16929 -136.02066 589.10762
2945.0000 -140.24997 -136.56556 3.68441 2.14186 -136.42696 565.18365
2950.0000 -140.87943 -137.13769 3.74173 2.12431 -136.68690 572.56124
2955.0000 -140.48799 -136.11604 4.37195 2.11541 -136.81868 560.23430
2960.0000 -139.23484 -134.27861 4.95623 2.25334 -134.77586 657.28493
2965.0000 -139.24274 -134.57497 4.66777 2.26949 -134.53669 676.78246
2970.0000 -140.84737 -136.36842 4.47894 2.18455 -135.79464 605.93444
2975.0000 -141.69476 -137.39284 4.30192 2.08630 -137.24996 560.05234
2980.0000 -140.69594 -136.39440 4.30154 2.11596 -136.81057 591.18707
2985.0000 -140.04184 -135.83595 4.20589 2.15840 -136.18197 610.81966
2990.0000 -140.57336 -136.26526 4.30810 2.17820 -135.88878 611.43963
2995.0000 -140.72764 -136.70225 4.02540 2.17156 -135.98709 616.05866
3000.0000 -140.85105 -137.09096 3.76009 2.10688 -136.94505 569.15311
MELTING PROCESS: loop number 13 T-loop= 620.00000000000000
main_MD> interactions number 13 at Temperature= 620.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.28811 -6.25819 2.16129
force_rgl> df(natom) -1.66322 -0.54227 -2.25338
3005.0000 -140.24723 -136.09695 4.15029 2.12797 -136.63267 596.77839
3010.0000 -140.07071 -135.60365 4.46706 2.16743 -136.04833 607.23632
3015.0000 -140.73773 -136.24435 4.49338 2.16145 -136.13690 592.09256
3020.0000 -140.66972 -136.29035 4.37937 2.15644 -136.21108 617.01802
3025.0000 -140.43380 -136.13210 4.30170 2.16700 -136.05469 617.07539
3030.0000 -140.55990 -136.37960 4.18030 2.14862 -136.32686 600.25865
3035.0000 -140.88208 -135.86447 5.01761 2.16343 -136.10746 624.37959
3040.0000 -140.19120 -135.76502 4.42617 2.19153 -135.69127 622.12287
3045.0000 -141.04492 -136.28014 4.76478 2.18716 -135.75611 656.93458
3050.0000 -140.91973 -136.48113 4.43860 2.13545 -136.52190 604.80219
3055.0000 -141.05682 -136.59713 4.45969 2.15820 -136.18498 594.76827
3060.0000 -141.46731 -136.89947 4.56784 2.10572 -136.96221 570.03057
3065.0000 -140.29877 -135.89992 4.39885 2.17017 -136.00767 607.67536
3070.0000 -140.71494 -135.77255 4.94239 2.16781 -136.04272 590.15352
3075.0000 -139.67823 -135.60967 4.06855 2.20786 -135.44955 646.56107
3080.0000 -139.25099 -134.89500 4.35599 2.24242 -134.93765 662.60548
3085.0000 -139.89251 -135.96265 3.92986 2.20715 -135.45996 612.51042
3090.0000 -140.28773 -136.30027 3.98747 2.17144 -135.98888 608.58679
3095.0000 -140.25183 -135.05053 5.20130 2.17102 -135.99513 575.66462
3100.0000 -139.95905 -135.25888 4.70018 2.22657 -135.17229 659.12313
3105.0000 -141.32477 -136.93071 4.39406 2.14423 -136.39183 606.83376
3110.0000 -141.03229 -136.53665 4.49565 2.16044 -136.15179 603.74049
3115.0000 -140.05242 -136.55153 3.50089 2.13498 -136.52883 577.33517
3120.0000 -140.58864 -136.61649 3.97215 2.15916 -136.17080 596.40628
3125.0000 -139.92116 -135.00675 4.91440 2.12028 -136.74655 558.94657
3130.0000 -139.91527 -135.15687 4.75839 2.22235 -135.23490 638.09594
3135.0000 -139.82250 -134.81397 5.00853 2.23090 -135.10823 638.92484
3140.0000 -140.66552 -135.34354 5.32197 2.22598 -135.18113 635.73799
3145.0000 -140.66906 -135.40998 5.25908 2.24891 -134.84141 670.02455
3150.0000 -139.90879 -135.12529 4.78350 2.20817 -135.44485 599.60773
3155.0000 -140.60622 -135.42428 5.18194 2.20858 -135.43885 629.62329
3160.0000 -140.63468 -136.58932 4.04536 2.19642 -135.61892 637.72489
3165.0000 -141.30267 -137.31125 3.99142 2.13208 -136.57182 590.45905
3170.0000 -140.81025 -136.70342 4.10683 2.10504 -136.97231 572.67736
3175.0000 -141.01445 -136.56760 4.44685 2.11141 -136.87799 580.32807
3180.0000 -139.86659 -135.03987 4.82671 2.14103 -136.43928 593.78522
3185.0000 -140.97514 -135.51907 5.45607 2.23518 -135.04485 643.53135
3190.0000 -140.03778 -136.08647 3.95131 2.15851 -136.18036 592.72774
3195.0000 -139.86540 -135.63274 4.23265 2.21190 -135.38967 631.21189
3200.0000 -139.67790 -135.66596 4.01194 2.20090 -135.55252 640.72103
3205.0000 -141.11075 -135.87156 5.23919 2.17572 -135.92547 631.96756
3210.0000 -139.49529 -135.29336 4.20193 2.17654 -135.91340 646.15609
3215.0000 -139.50792 -134.55579 4.95213 2.24145 -134.95201 682.03720
3220.0000 -140.69199 -134.94216 5.74984 2.29194 -134.20421 719.62468
3225.0000 -139.34410 -135.22184 4.12226 2.19659 -135.61632 626.51195
3230.0000 -141.04362 -136.51407 4.52955 2.17972 -135.86630 625.71784
3235.0000 -141.76891 -136.80705 4.96186 2.10323 -136.99919 573.94046
3240.0000 -141.59003 -136.81064 4.77939 2.11728 -136.79110 586.10717
3245.0000 -140.89958 -136.97145 3.92813 2.10170 -137.02186 593.68705
3250.0000 -141.67760 -137.81439 3.86321 2.07231 -137.45704 593.82608
MELTING PROCESS: loop number 14 T-loop= 645.00000000000000
main_MD> interactions number 14 at Temperature= 645.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10760 1.41454 -0.23954
force_rgl> df(natom) -0.60892 -0.37685 2.90953
3255.0000 -142.13842 -137.56607 4.57236 2.02299 -138.18764 563.31768
3260.0000 -141.33258 -136.35146 4.98112 2.11812 -136.77863 633.55350
3265.0000 -139.15190 -134.21511 4.93679 2.23652 -135.02500 694.89517
3270.0000 -140.11761 -134.74052 5.37709 2.30106 -134.06912 728.40480
3275.0000 -139.43795 -134.36234 5.07560 2.26147 -134.65544 669.34017
3280.0000 -139.56951 -134.16562 5.40389 2.23245 -135.08520 632.30549
3285.0000 -138.53774 -134.77143 3.76631 2.30264 -134.04572 685.41979
3290.0000 -139.35265 -134.80384 4.54881 2.25848 -134.69980 643.80773
3295.0000 -139.94567 -134.99988 4.94580 2.25632 -134.73173 653.45293
3300.0000 -140.07919 -134.97718 5.10201 2.26535 -134.59801 700.67596
3305.0000 -139.42649 -134.04035 5.38614 2.25290 -134.78241 647.87745
3310.0000 -140.13461 -135.52815 4.60646 2.27248 -134.49237 675.71509
3315.0000 -138.45138 -133.89411 4.55727 2.23674 -135.02174 645.92291
3320.0000 -141.42383 -136.37143 5.05240 2.18903 -135.72833 617.10022
3325.0000 -139.02700 -134.62838 4.39862 2.18183 -135.83502 631.64527
3330.0000 -139.51713 -135.71454 3.80258 2.20783 -135.44989 633.73021
3335.0000 -139.56852 -135.64476 3.92376 2.20658 -135.46842 619.58892
3340.0000 -140.04305 -136.07680 3.96626 2.16716 -136.05221 622.10462
3345.0000 -140.07592 -135.51998 4.55594 2.18146 -135.84050 606.71000
3350.0000 -140.22453 -135.56240 4.66213 2.21450 -135.35111 655.99721
3355.0000 -140.33477 -135.11911 5.21566 2.21299 -135.37354 641.73287
3360.0000 -140.10292 -135.21413 4.88879 2.22546 -135.18884 670.24070
3365.0000 -139.87448 -135.01379 4.86069 2.23793 -135.00416 666.19243
3370.0000 -138.45036 -133.99412 4.45625 2.24983 -134.82787 645.87282
3375.0000 -138.35299 -133.25342 5.09956 2.32078 -133.77699 668.45457
3380.0000 -140.15115 -134.70512 5.44604 2.31246 -133.90031 694.60651
3385.0000 -139.66286 -134.92829 4.73457 2.22072 -135.25895 617.97069
3390.0000 -138.99426 -134.93518 4.05908 2.21391 -135.35990 588.07984
3395.0000 -140.13872 -134.76125 5.37747 2.23484 -135.04983 651.40320
3400.0000 -140.24386 -135.82701 4.41686 2.17804 -135.89110 638.45320
3405.0000 -139.16270 -134.09751 5.06519 2.23539 -135.04176 667.91289
3410.0000 -138.34085 -132.97266 5.36819 2.30226 -134.05128 703.30792
3415.0000 -139.86177 -134.18832 5.67345 2.33418 -133.57852 769.30844
3420.0000 -140.64855 -135.80391 4.84464 2.23262 -135.08280 658.15369
3425.0000 -139.90208 -135.28413 4.61795 2.21941 -135.27837 660.60694
3430.0000 -139.30917 -134.93739 4.37177 2.23286 -135.07914 667.02440
3435.0000 -138.33819 -134.17227 4.16592 2.26283 -134.63537 668.55918
3440.0000 -139.27353 -134.83888 4.43465 2.28097 -134.36664 682.65631
3445.0000 -140.50391 -135.39990 5.10401 2.21449 -135.35122 642.11707
3450.0000 -140.09958 -134.77216 5.32742 2.22939 -135.13061 657.04025
3455.0000 -140.12570 -135.14772 4.97798 2.23251 -135.08443 643.70911
3460.0000 -139.59716 -134.52247 5.07469 2.22467 -135.20049 654.15070
3465.0000 -140.34627 -135.40774 4.93852 2.24762 -134.86065 661.06820
3470.0000 -139.44133 -134.68131 4.76001 2.24793 -134.85601 661.15328
3475.0000 -140.68910 -135.60362 5.08548 2.18752 -135.75070 623.01370
3480.0000 -140.37837 -134.43493 5.94344 2.21894 -135.28535 662.74238
3485.0000 -139.15036 -133.69905 5.45131 2.26475 -134.60692 667.93718
3490.0000 -138.94015 -133.95921 4.98094 2.38045 -132.89329 734.78199
3495.0000 -139.48694 -134.41499 5.07195 2.28706 -134.27643 687.16012
3500.0000 -139.37577 -134.38439 4.99137 2.26822 -134.55550 678.36930
MELTING PROCESS: loop number 15 T-loop= 670.00000000000000
main_MD> interactions number 15 at Temperature= 670.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.05064 0.90856 -2.72369
force_rgl> df(natom) 2.97194 -0.97974 3.01192
3505.0000 -138.44963 -132.89380 5.55583 2.30676 -133.98470 689.09586
3510.0000 -138.83127 -133.66297 5.16830 2.35702 -133.24033 726.75463
3515.0000 -139.24414 -134.36418 4.87996 2.32992 -133.64167 731.04366
3520.0000 -138.90103 -134.45345 4.44758 2.26646 -134.58160 670.73571
3525.0000 -139.30325 -134.80219 4.50105 2.25809 -134.70545 653.68174
3530.0000 -138.87768 -133.89756 4.98012 2.24154 -134.95071 652.96498
3535.0000 -138.88404 -134.57146 4.31258 2.31742 -133.82673 692.50469
3540.0000 -138.67934 -133.20965 5.46969 2.27768 -134.41538 671.60398
3545.0000 -139.20200 -134.84770 4.35430 2.28384 -134.32408 688.94076
3550.0000 -139.50741 -134.87058 4.63683 2.24704 -134.86923 657.65321
3555.0000 -139.14605 -135.17180 3.97424 2.27005 -134.52841 683.87752
3560.0000 -139.54993 -135.13159 4.41834 2.20278 -135.52475 624.26017
3565.0000 -140.17308 -134.87277 5.30031 2.22610 -135.17939 598.02415
3570.0000 -140.39904 -135.73570 4.66334 2.21114 -135.40090 640.71982
3575.0000 -140.07115 -134.82494 5.24621 2.23264 -135.08249 650.42774
3580.0000 -139.97400 -134.87527 5.09873 2.23392 -135.06345 661.02271
3585.0000 -139.87321 -135.15730 4.71591 2.21215 -135.38587 644.61118
3590.0000 -140.60306 -136.07855 4.52452 2.20138 -135.54538 620.50205
3595.0000 -141.75179 -136.89482 4.85697 2.11267 -136.85939 575.86588
3600.0000 -141.01128 -135.90583 5.10545 2.14144 -136.43324 589.77054
3605.0000 -140.02411 -135.53277 4.49134 2.14276 -136.41365 592.22926
3610.0000 -140.70372 -135.79214 4.91158 2.19493 -135.64103 616.04479
3615.0000 -139.75553 -135.11741 4.63811 2.19716 -135.60799 617.83976
3620.0000 -139.27656 -134.28850 4.98807 2.25927 -134.68799 684.93706
3625.0000 -139.97873 -135.71191 4.26682 2.24901 -134.84006 680.94961
3630.0000 -139.55700 -134.90093 4.65608 2.21398 -135.35887 661.45647
3635.0000 -139.35388 -133.63375 5.72013 2.30325 -134.03673 738.20340
3640.0000 -139.09667 -134.43380 4.66287 2.30952 -133.94373 721.16609
3645.0000 -139.23533 -134.50695 4.72838 2.26600 -134.58829 653.34721
3650.0000 -140.07549 -134.90006 5.17543 2.29870 -134.10402 695.87482
3655.0000 -140.04214 -135.04049 5.00165 2.23560 -135.03865 658.92744
3660.0000 -139.93783 -134.89632 5.04151 2.24598 -134.88485 670.98947
3665.0000 -140.24288 -135.48656 4.75632 2.23292 -135.07827 647.76794
3670.0000 -139.52934 -134.93493 4.59441 2.21836 -135.29392 637.17951
3675.0000 -139.86989 -134.47221 5.39768 2.29404 -134.17307 678.72143
3680.0000 -139.65903 -134.67818 4.98085 2.26718 -134.57092 665.74533
3685.0000 -139.85493 -134.19542 5.65952 2.30645 -133.98930 689.59263
3690.0000 -139.68221 -134.86229 4.81992 2.26357 -134.62434 658.10101
3695.0000 -138.18530 -132.82290 5.36240 2.35391 -133.28628 731.64487
3700.0000 -138.70792 -134.21817 4.48975 2.32482 -133.71713 725.10360
3705.0000 -140.45220 -135.63988 4.81232 2.25299 -134.78098 662.26677
3710.0000 -139.31499 -134.75505 4.55994 2.23168 -135.09675 652.01741
3715.0000 -140.03238 -134.82066 5.21172 2.24765 -134.86013 680.40484
3720.0000 -140.19693 -134.67598 5.52095 2.22544 -135.18913 656.13703
3725.0000 -140.53565 -136.26119 4.27446 2.17326 -135.96186 600.09751
3730.0000 -139.70134 -134.54408 5.15726 2.22497 -135.19599 651.11851
3735.0000 -139.14970 -133.59962 5.55008 2.30647 -133.98894 706.51834
3740.0000 -140.52519 -135.54000 4.98519 2.26779 -134.56178 658.80517
3745.0000 -140.12665 -135.12620 5.00044 2.21391 -135.35991 633.69049
3750.0000 -139.60105 -134.78267 4.81838 2.26110 -134.66099 648.52466
MELTING PROCESS: loop number 16 T-loop= 695.00000000000000
main_MD> interactions number 16 at Temperature= 695.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.86691 0.96294 4.52318
force_rgl> df(natom) 1.78710 1.25757 -2.59157
3755.0000 -138.87476 -133.70172 5.17304 2.31775 -133.82190 705.64767
3760.0000 -139.23777 -133.47404 5.76373 2.34376 -133.43659 690.90016
3765.0000 -138.15669 -133.33073 4.82596 2.35302 -133.29948 728.11385
3770.0000 -139.76296 -133.89207 5.87089 2.30970 -133.94114 712.80350
3775.0000 -138.07237 -132.41175 5.66062 2.35001 -133.34417 719.34418
3780.0000 -139.40425 -133.32206 6.08218 2.35643 -133.24895 743.32806
3785.0000 -139.10447 -133.20328 5.90119 2.33635 -133.54641 725.54101
3790.0000 -139.19570 -134.28816 4.90755 2.33798 -133.52227 710.82284
3795.0000 -139.83672 -134.75052 5.08620 2.25652 -134.72880 682.51527
3800.0000 -139.08227 -134.58705 4.49522 2.29342 -134.18228 720.59816
3805.0000 -139.11819 -133.71335 5.40484 2.27652 -134.43257 657.54187
3810.0000 -138.49811 -133.65281 4.84530 2.34799 -133.37395 732.19341
3815.0000 -138.90060 -132.55842 6.34218 2.37872 -132.91882 771.13897
3820.0000 -138.60334 -133.68305 4.92029 2.34209 -133.46137 721.61247
3825.0000 -138.56283 -134.06898 4.49385 2.28632 -134.28745 688.33328
3830.0000 -140.56183 -135.58718 4.97465 2.25168 -134.80049 646.68014
3835.0000 -140.10308 -133.95332 6.14976 2.22919 -135.13348 640.98006
3840.0000 -139.48157 -133.73702 5.74455 2.28341 -134.33053 667.12295
3845.0000 -140.35416 -134.91995 5.43421 2.34901 -133.35891 758.74320
3850.0000 -138.34547 -132.79246 5.55301 2.32311 -133.74252 719.80792
3855.0000 -137.90539 -133.12834 4.77705 2.38376 -132.84422 739.00204
3860.0000 -140.72241 -135.49594 5.22647 2.31943 -133.79705 702.86113
3865.0000 -140.45590 -136.54939 3.90650 2.12395 -136.69220 600.85591
3870.0000 -139.50146 -135.06635 4.43511 2.18566 -135.77825 626.81908
3875.0000 -140.19509 -134.91831 5.27678 2.29772 -134.11863 703.39383
3880.0000 -140.63575 -135.30443 5.33132 2.25236 -134.79044 685.00948
3885.0000 -140.00226 -135.30330 4.69895 2.22501 -135.19552 659.66623
3890.0000 -139.31252 -133.54186 5.77066 2.26389 -134.61957 679.28206
3895.0000 -139.14406 -134.51929 4.62477 2.30899 -133.95170 716.22399
3900.0000 -138.99556 -133.48763 5.50793 2.30256 -134.04686 704.30979
3905.0000 -140.00530 -134.60451 5.40079 2.29226 -134.19941 705.51095
3910.0000 -139.19805 -134.54401 4.65404 2.27325 -134.48094 680.25788
3915.0000 -139.30462 -133.94979 5.35483 2.31062 -133.92754 717.38527
3920.0000 -139.87747 -134.36636 5.51111 2.27796 -134.41130 689.99645
3925.0000 -139.06477 -133.30723 5.75754 2.29694 -134.13010 664.24409
3930.0000 -138.38183 -133.40230 4.97953 2.37478 -132.97725 745.07174
3935.0000 -137.87304 -133.01197 4.86108 2.33468 -133.57115 717.92387
3940.0000 -138.14609 -133.65872 4.48737 2.32111 -133.77208 683.49229
3945.0000 -138.51371 -133.19940 5.31431 2.31741 -133.82698 706.00943
3950.0000 -140.19104 -135.16988 5.02116 2.30070 -134.07441 696.62777
3955.0000 -139.25165 -134.62085 4.63081 2.24926 -134.83628 634.95132
3960.0000 -137.65189 -132.69920 4.95270 2.30679 -133.98425 694.92662
3965.0000 -137.74272 -132.62837 5.11435 2.35196 -133.31522 728.88718
3970.0000 -139.80438 -134.48697 5.31740 2.33355 -133.58791 725.68871
3975.0000 -140.98101 -136.35454 4.62647 2.20927 -135.42859 657.90297
3980.0000 -139.23748 -134.39644 4.84104 2.22327 -135.22126 662.26644
3985.0000 -139.21664 -133.83045 5.38619 2.30192 -134.05637 700.77020
3990.0000 -138.98585 -133.96279 5.02305 2.30886 -133.95358 702.72816
3995.0000 -139.71652 -135.16003 4.55650 2.23481 -135.05029 655.94469
4000.0000 -138.62209 -132.86333 5.75876 2.30730 -133.97660 714.26302
MELTING PROCESS: loop number 17 T-loop= 720.00000000000000
main_MD> interactions number 17 at Temperature= 720.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.71562 1.11299 -0.02015
force_rgl> df(natom) 0.34086 1.83725 -2.17471
4005.0000 -138.08447 -132.50550 5.57897 2.36226 -133.16266 739.90533
4010.0000 -138.45938 -132.31375 6.14563 2.44075 -132.00011 833.88916
4015.0000 -139.08802 -133.72649 5.36153 2.34766 -133.37894 724.55530
4020.0000 -138.56600 -133.26959 5.29641 2.38548 -132.81869 773.13290
4025.0000 -139.11666 -132.57276 6.54389 2.37299 -133.00369 777.02951
4030.0000 -137.78811 -132.44572 5.34239 2.39679 -132.65120 778.85542
4035.0000 -138.55495 -132.76468 5.79027 2.38795 -132.78213 751.81304
4040.0000 -138.92507 -133.76112 5.16395 2.37761 -132.93525 741.95064
4045.0000 -139.52680 -134.51701 5.00979 2.26481 -134.60592 651.23450
4050.0000 -138.91860 -133.54527 5.37332 2.32295 -133.74493 705.61648
4055.0000 -139.23693 -134.15529 5.08164 2.34278 -133.45123 737.31984
4060.0000 -138.50143 -133.69492 4.80650 2.32357 -133.73562 738.72703
4065.0000 -139.65925 -134.52952 5.12973 2.29272 -134.19257 694.15407
4070.0000 -139.63965 -134.05336 5.58630 2.26290 -134.63424 674.85352
4075.0000 -139.74803 -134.16909 5.57895 2.27286 -134.48670 676.37651
4080.0000 -138.20174 -132.82704 5.37470 2.35045 -133.33756 748.15905
4085.0000 -138.76025 -132.76969 5.99055 2.36173 -133.17049 734.26913
4090.0000 -139.51293 -133.56129 5.95164 2.38581 -132.81389 771.40650
4095.0000 -138.49956 -132.63883 5.86074 2.36455 -133.12873 752.69623
4100.0000 -138.37804 -134.11980 4.25824 2.36959 -133.05410 730.01453
4105.0000 -139.96706 -133.84051 6.12655 2.30406 -134.02469 697.17621
4110.0000 -138.78777 -133.44001 5.34775 2.30830 -133.96181 720.12253
4115.0000 -138.32715 -133.20294 5.12421 2.34752 -133.38103 730.84190
4120.0000 -138.06978 -133.57826 4.49152 2.36965 -133.05318 748.10133
4125.0000 -138.84194 -132.88483 5.95711 2.37073 -133.03717 753.94204
4130.0000 -139.50027 -132.57705 6.92322 2.40042 -132.59746 788.25175
4135.0000 -138.85017 -133.29899 5.55118 2.38754 -132.78823 777.02148
4140.0000 -138.55873 -132.72739 5.83134 2.37465 -132.97920 771.07229
4145.0000 -138.65549 -132.87993 5.77556 2.41818 -132.33442 795.47988
4150.0000 -139.45155 -134.38363 5.06792 2.27502 -134.45471 662.98339
4155.0000 -138.71754 -132.45466 6.26287 2.28462 -134.31252 686.73302
4160.0000 -137.37374 -131.05301 6.32072 2.44235 -131.97651 768.74912
4165.0000 -137.46516 -132.25588 5.20928 2.41817 -132.33452 764.23249
4170.0000 -138.34528 -132.98547 5.35981 2.40253 -132.56629 753.54110
4175.0000 -139.64354 -132.37271 7.27083 2.44454 -131.94408 818.34642
4180.0000 -138.80266 -133.29400 5.50866 2.33988 -133.49406 729.17439
4185.0000 -139.35571 -133.97121 5.38450 2.33097 -133.62609 711.46955
4190.0000 -139.55653 -133.74454 5.81199 2.31007 -133.93563 707.98845
4195.0000 -140.24523 -134.86072 5.38451 2.25832 -134.70212 673.21531
4200.0000 -138.96110 -134.37088 4.59022 2.23859 -134.99439 653.26325
4205.0000 -138.06122 -132.52035 5.54087 2.31403 -133.87693 689.89033
4210.0000 -138.10393 -132.15106 5.95287 2.45306 -131.81788 794.76297
4215.0000 -139.39048 -133.89986 5.49062 2.32699 -133.68500 724.54888
4220.0000 -139.30138 -133.10309 6.19829 2.32944 -133.64883 728.19813
4225.0000 -139.52134 -134.93184 4.58950 2.28904 -134.24714 708.37705
4230.0000 -138.45261 -133.86274 4.58987 2.29388 -134.17549 706.66791
4235.0000 -138.66866 -132.52772 6.14094 2.36534 -133.11704 726.48176
4240.0000 -138.74509 -133.73120 5.01389 2.32815 -133.66784 703.32805
4245.0000 -138.82295 -133.58928 5.23367 2.37038 -133.04234 765.83848
4250.0000 -138.41214 -133.73952 4.67262 2.34588 -133.40525 711.94160
MELTING PROCESS: loop number 18 T-loop= 745.00000000000000
main_MD> interactions number 18 at Temperature= 745.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17062 1.27742 0.78852
force_rgl> df(natom) 0.80194 -0.00134 0.04044
4255.0000 -139.38284 -133.48084 5.90200 2.28522 -134.30364 684.33906
4260.0000 -139.00342 -133.73358 5.26984 2.31768 -133.82295 686.88427
4265.0000 -138.25003 -133.20531 5.04473 2.33207 -133.60984 727.89699
4270.0000 -138.82146 -132.59355 6.22792 2.36369 -133.14141 773.43912
4275.0000 -138.46050 -132.03700 6.42350 2.38099 -132.88525 748.92109
4280.0000 -137.72838 -132.24809 5.48029 2.42471 -132.23777 785.22113
4285.0000 -138.38424 -133.09364 5.29060 2.44098 -131.99669 777.57306
4290.0000 -138.75586 -132.49757 6.25829 2.38766 -132.78650 749.56803
4295.0000 -138.70167 -133.67736 5.02431 2.38172 -132.87448 758.06050
4300.0000 -139.43428 -134.05179 5.38249 2.28536 -134.30157 698.67420
4305.0000 -138.60869 -133.85965 4.74904 2.31101 -133.92179 701.80889
4310.0000 -139.87239 -134.33643 5.53596 2.34819 -133.37100 746.02952
4315.0000 -138.20002 -133.19427 5.00575 2.33105 -133.62491 730.85421
4320.0000 -139.54866 -132.83170 6.71696 2.39135 -132.73177 767.24745
4325.0000 -139.69239 -134.56982 5.12256 2.29850 -134.10700 685.40449
4330.0000 -139.59608 -134.20642 5.38965 2.29379 -134.17676 682.80985
4335.0000 -138.31007 -133.63264 4.67743 2.29381 -134.17641 690.81689
4340.0000 -138.59048 -132.79366 5.79682 2.39627 -132.65887 779.03101
4345.0000 -137.53808 -132.01718 5.52090 2.43555 -132.07717 775.19391
4350.0000 -138.75098 -132.84750 5.90349 2.43825 -132.03717 790.68208
4355.0000 -138.99916 -132.97228 6.02688 2.40881 -132.47320 800.95645
4360.0000 -136.50069 -130.30425 6.19644 2.47608 -131.47695 834.51835
4365.0000 -137.16210 -130.68261 6.47949 2.59769 -129.67577 885.47475
4370.0000 -136.91305 -131.07057 5.84248 2.52004 -130.82577 839.98837
4375.0000 -137.30371 -132.18354 5.12017 2.51993 -130.82740 839.09641
4380.0000 -138.59789 -131.98474 6.61315 2.41272 -132.41526 809.44919
4385.0000 -137.87574 -132.65718 5.21856 2.39145 -132.73030 762.72441
4390.0000 -137.87910 -131.60219 6.27691 2.38445 -132.83407 752.62416
4395.0000 -138.54890 -132.39307 6.15584 2.44193 -131.98260 815.32899
4400.0000 -137.40599 -131.69968 5.70631 2.40033 -132.59884 781.52535
4405.0000 -137.86726 -133.24712 4.62014 2.37135 -133.02801 733.36986
4410.0000 -137.43752 -132.20393 5.23360 2.38684 -132.79859 771.58106
4415.0000 -137.55344 -131.95209 5.60134 2.42665 -132.20899 777.73315
4420.0000 -138.63688 -133.64605 4.99083 2.40911 -132.46877 782.21407
4425.0000 -139.11917 -133.39468 5.72449 2.32350 -133.73669 728.98885
4430.0000 -139.63499 -134.15443 5.48055 2.30280 -134.04326 668.20645
4435.0000 -138.95977 -133.52024 5.43953 2.30289 -134.04198 719.23481
4440.0000 -137.95835 -133.29226 4.66609 2.33038 -133.63487 755.25303
4445.0000 -138.92866 -133.77361 5.15505 2.34689 -133.39036 714.23977
4450.0000 -139.65872 -134.80587 4.85285 2.29435 -134.16848 693.70100
4455.0000 -138.78410 -132.84715 5.93695 2.32084 -133.77611 732.12682
4460.0000 -138.38174 -133.00354 5.37820 2.41628 -132.36251 785.31322
4465.0000 -139.01099 -134.06291 4.94808 2.33617 -133.54905 711.36105
4470.0000 -139.22153 -132.86530 6.35623 2.34637 -133.39794 712.27146
4475.0000 -139.20907 -133.93374 5.27533 2.36007 -133.19509 765.16604
4480.0000 -139.06689 -133.80565 5.26124 2.35600 -133.25538 733.52071
4485.0000 -138.69446 -133.40991 5.28454 2.28895 -134.24852 690.60011
4490.0000 -138.60111 -132.80426 5.79686 2.38850 -132.77397 751.86274
4495.0000 -138.29546 -132.92455 5.37091 2.40109 -132.58753 805.13649
4500.0000 -138.22264 -132.65677 5.56588 2.37419 -132.98596 752.31495
MELTING PROCESS: loop number 19 T-loop= 770.00000000000000
main_MD> interactions number 19 at Temperature= 770.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.38595 -1.17469 -5.00221
force_rgl> df(natom) -0.00176 0.42274 1.15433
4505.0000 -137.69174 -132.77238 4.91936 2.40684 -132.50236 790.60685
4510.0000 -138.08642 -133.12514 4.96128 2.36587 -133.10926 779.90817
4515.0000 -137.69860 -131.17471 6.52390 2.43706 -132.05473 795.78400
4520.0000 -137.60189 -131.64246 5.95943 2.45736 -131.75416 792.67764
4525.0000 -138.62222 -133.19306 5.42916 2.41175 -132.42963 791.20583
4530.0000 -138.04214 -131.85791 6.18423 2.43511 -132.08367 810.68499
4535.0000 -139.91466 -134.01879 5.89587 2.38062 -132.89077 769.11021
4540.0000 -138.30628 -133.42355 4.88273 2.32650 -133.69236 724.64824
4545.0000 -138.40559 -132.78656 5.61903 2.39853 -132.62540 797.48011
4550.0000 -139.31374 -132.40284 6.91090 2.41551 -132.37390 787.33786
4555.0000 -137.72597 -132.06084 5.66513 2.41217 -132.42339 812.63300
4560.0000 -138.99417 -133.39518 5.59899 2.41922 -132.31908 795.31379
4565.0000 -138.12523 -133.42156 4.70367 2.37822 -132.92631 765.04963
4570.0000 -138.64948 -133.84782 4.80166 2.35014 -133.34222 724.05034
4575.0000 -138.99826 -132.88647 6.11179 2.37110 -133.03180 747.79112
4580.0000 -138.84229 -132.59360 6.24870 2.39199 -132.72232 788.29852
4585.0000 -137.55778 -133.18547 4.37231 2.43498 -132.08556 791.37689
4590.0000 -138.66563 -133.68230 4.98333 2.33256 -133.60252 707.27921
4595.0000 -138.28414 -132.66502 5.61912 2.36547 -133.11517 739.97074
4600.0000 -138.74609 -132.47124 6.27485 2.41719 -132.34915 764.27878
4605.0000 -138.40659 -132.78120 5.62539 2.42603 -132.21817 787.25858
4610.0000 -137.72656 -132.49078 5.23578 2.40982 -132.45829 779.10636
4615.0000 -137.89937 -131.98315 5.91622 2.44595 -131.92317 786.52552
4620.0000 -137.77520 -131.95440 5.82080 2.44000 -132.01119 778.77245
4625.0000 -138.63785 -132.86061 5.77724 2.41544 -132.37500 765.42971
4630.0000 -137.32731 -131.83230 5.49501 2.43180 -132.13263 772.59649
4635.0000 -137.92699 -133.19879 4.72821 2.38065 -132.89026 732.29341
4640.0000 -138.43595 -133.05480 5.38115 2.39864 -132.62379 774.17748
4645.0000 -137.75017 -131.15648 6.59369 2.40527 -132.52568 766.60149
4650.0000 -138.40537 -132.21782 6.18755 2.45687 -131.76142 791.25848
4655.0000 -136.92001 -131.63410 5.28591 2.47610 -131.47652 820.23858
4660.0000 -138.37340 -132.34595 6.02745 2.45526 -131.78528 816.36384
4665.0000 -137.19567 -131.66560 5.53007 2.39316 -132.70501 736.59697
4670.0000 -136.40960 -130.92543 5.48417 2.51252 -130.93720 838.86221
4675.0000 -137.86920 -131.27317 6.59603 2.47511 -131.49119 818.01606
4680.0000 -137.82590 -131.58936 6.23654 2.49296 -131.22691 831.60299
4685.0000 -137.73110 -131.54057 6.19053 2.50225 -131.08920 852.26264
4690.0000 -138.22332 -132.29196 5.93137 2.39930 -132.61405 771.25184
4695.0000 -138.94159 -133.01226 5.92933 2.38359 -132.84674 789.53856
4700.0000 -136.60377 -130.96665 5.63712 2.38470 -132.83027 747.83243
4705.0000 -137.66926 -132.35460 5.31466 2.44014 -132.00915 797.81525
4710.0000 -136.95292 -131.95377 4.99916 2.44013 -132.00928 782.39019
4715.0000 -137.76059 -132.31525 5.44534 2.48282 -131.37701 838.19843
4720.0000 -137.23647 -130.92231 6.31416 2.44046 -132.00438 808.79471
4725.0000 -138.12146 -133.29912 4.82233 2.46894 -131.58268 800.02043
4730.0000 -137.14730 -132.38667 4.76063 2.40557 -132.52126 774.85328
4735.0000 -137.91729 -132.30669 5.61060 2.41438 -132.39073 776.60815
4740.0000 -137.25253 -131.71264 5.53989 2.44168 -131.98633 802.59706
4745.0000 -137.34371 -131.64563 5.69809 2.45108 -131.84719 806.12212
4750.0000 -138.00955 -131.93138 6.07816 2.41136 -132.43545 767.50214
MELTING PROCESS: loop number 20 T-loop= 795.00000000000000
main_MD> interactions number 20 at Temperature= 795.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.64833 1.61282 -5.87236
force_rgl> df(natom) 1.16239 -0.34999 -2.69406
4755.0000 -136.59258 -131.25944 5.33314 2.46260 -131.67647 780.80998
4760.0000 -137.78748 -130.86446 6.92302 2.50079 -131.11095 805.53741
4765.0000 -136.74687 -131.32083 5.42604 2.47060 -131.55805 840.79192
4770.0000 -138.47112 -133.13617 5.33494 2.41784 -132.33950 811.41396
4775.0000 -138.82696 -133.71204 5.11493 2.35899 -133.21109 736.06013
4780.0000 -138.32436 -132.48486 5.83950 2.40351 -132.55173 782.43695
4785.0000 -138.52136 -132.20205 6.31931 2.37415 -132.98658 723.27547
4790.0000 -138.85227 -132.60473 6.24753 2.40977 -132.45903 804.61867
4795.0000 -138.50473 -133.22518 5.27955 2.44125 -131.99279 815.85513
4800.0000 -138.87102 -133.50660 5.36442 2.38571 -132.81532 750.67744
4805.0000 -138.89117 -133.44126 5.44991 2.36838 -133.07197 728.02850
4810.0000 -138.18969 -133.37463 4.81506 2.31109 -133.92059 705.97952
4815.0000 -139.46224 -134.75575 4.70649 2.32016 -133.78627 702.38587
4820.0000 -139.89834 -133.64160 6.25674 2.31190 -133.90852 714.79313
4825.0000 -138.71931 -132.80184 5.91747 2.37854 -132.92147 786.38829
4830.0000 -138.49537 -133.23779 5.25758 2.38663 -132.80172 753.66055
4835.0000 -138.11602 -132.12344 5.99259 2.45704 -131.75884 807.42457
4840.0000 -137.41301 -132.02662 5.38639 2.42424 -132.24466 791.81117
4845.0000 -136.50347 -130.54605 5.95742 2.44559 -131.92850 784.23397
4850.0000 -138.16007 -131.38198 6.77809 2.50797 -131.00459 835.75933
4855.0000 -136.95340 -132.27306 4.68034 2.46542 -131.63481 811.91927
4860.0000 -138.98905 -132.12679 6.86225 2.47610 -131.47663 822.96501
4865.0000 -138.53993 -131.92393 6.61600 2.42340 -132.25717 825.56298
4870.0000 -137.83996 -132.95019 4.88977 2.43040 -132.15339 817.42288
4875.0000 -137.68309 -132.92406 4.75904 2.40535 -132.52444 776.12304
4880.0000 -136.90808 -130.79164 6.11643 2.44372 -131.95619 792.71793
4885.0000 -139.79850 -134.01710 5.78140 2.38638 -132.80538 763.71579
4890.0000 -138.26853 -133.07654 5.19199 2.34321 -133.44487 710.10519
4895.0000 -138.87006 -133.79138 5.07868 2.39297 -132.70781 763.99947
4900.0000 -139.35476 -133.09860 6.25615 2.35653 -133.24754 769.95643
4905.0000 -138.04837 -132.73537 5.31300 2.32989 -133.64206 717.72178
4910.0000 -137.69675 -132.67901 5.01774 2.42400 -132.24826 795.79886
4915.0000 -138.18990 -132.59679 5.59311 2.36213 -133.16462 746.91352
4920.0000 -137.41134 -131.01793 6.39341 2.44939 -131.87218 822.43043
4925.0000 -137.57696 -131.00459 6.57237 2.49199 -131.24122 853.05708
4930.0000 -137.91227 -130.32231 7.58996 2.49662 -131.17262 886.97219
4935.0000 -137.25295 -131.15593 6.09702 2.49886 -131.13951 855.70223
4940.0000 -136.09453 -130.04824 6.04628 2.53121 -130.66038 867.04472
4945.0000 -136.40376 -130.04463 6.35913 2.52043 -130.81998 845.43707
4950.0000 -137.84610 -131.10171 6.74439 2.52588 -130.73926 890.44198
4955.0000 -137.30743 -131.16898 6.13846 2.42112 -132.29092 775.43432
4960.0000 -137.21507 -131.72633 5.48874 2.50191 -131.09438 818.26214
4965.0000 -136.64625 -130.33747 6.30877 2.46452 -131.64815 812.72520
4970.0000 -136.57586 -130.60325 5.97261 2.51736 -130.86549 840.66453
4975.0000 -137.73552 -131.12378 6.61174 2.51272 -130.93417 848.39817
4980.0000 -136.98830 -130.28840 6.69990 2.54935 -130.39167 876.22921
4985.0000 -137.39175 -131.54773 5.84402 2.53003 -130.67777 894.39347
4990.0000 -137.91734 -131.97647 5.94087 2.44628 -131.91827 815.57360
4995.0000 -137.70353 -132.24823 5.45530 2.46349 -131.66333 847.76345
5000.0000 -138.73278 -132.79233 5.94044 2.39368 -132.69730 760.37876
MELTING PROCESS: loop number 21 T-loop= 820.00000000000000
main_MD> interactions number 21 at Temperature= 820.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.18864 0.89704 -0.30643
force_rgl> df(natom) 0.30407 -1.14353 1.67787
5005.0000 -137.96460 -130.79763 7.16697 2.44614 -131.92027 835.51441
5010.0000 -137.97393 -132.26980 5.70413 2.46473 -131.64494 841.10128
5015.0000 -137.41723 -131.42928 5.98795 2.48592 -131.33110 817.20489
5020.0000 -139.08149 -132.51502 6.56647 2.44798 -131.89308 814.30759
5025.0000 -139.12403 -133.91697 5.20706 2.33919 -133.50429 730.09469
5030.0000 -138.55503 -132.96910 5.58593 2.34838 -133.36817 740.31895
5035.0000 -137.18690 -131.90711 5.27980 2.40627 -132.51077 790.11276
5040.0000 -137.91298 -132.24803 5.66495 2.45759 -131.75070 778.53288
5045.0000 -138.20098 -132.48443 5.71655 2.40836 -132.47981 750.04140
5050.0000 -137.82035 -131.80276 6.01759 2.38764 -132.78669 772.37585
5055.0000 -138.38024 -132.09425 6.28598 2.44265 -131.97199 795.25419
5060.0000 -138.37768 -131.91714 6.46054 2.44156 -131.98811 809.46216
5065.0000 -139.01966 -131.99201 7.02765 2.45884 -131.73217 839.56833
5070.0000 -136.16260 -130.13137 6.03123 2.53202 -130.64831 857.03522
5075.0000 -136.28579 -130.97979 5.30599 2.50586 -131.03585 843.12777
5080.0000 -138.44598 -131.91246 6.53352 2.50697 -131.01936 847.30688
5085.0000 -138.34641 -132.01324 6.33318 2.42739 -132.19802 801.57934
5090.0000 -137.38913 -130.84121 6.54792 2.47920 -131.43061 859.21315
5095.0000 -139.04452 -132.26800 6.77652 2.42024 -132.30394 796.93636
5100.0000 -138.46206 -131.34133 7.12072 2.43606 -132.06957 794.83623
5105.0000 -138.00600 -132.30833 5.69768 2.48443 -131.35322 833.94059
5110.0000 -139.04423 -133.50911 5.53512 2.40262 -132.56495 766.24986
5115.0000 -137.08153 -132.23308 4.84845 2.38539 -132.82015 735.23308
5120.0000 -137.11891 -131.04789 6.07102 2.42112 -132.29096 780.42997
5125.0000 -137.63067 -131.83057 5.80011 2.48573 -131.33401 846.89370
5130.0000 -136.37218 -130.82496 5.54722 2.46759 -131.60268 809.42753
5135.0000 -136.96546 -131.03918 5.92628 2.50928 -130.98512 843.31283
5140.0000 -138.27046 -132.30683 5.96362 2.44624 -131.91882 814.10093
5145.0000 -137.57986 -132.26884 5.31102 2.40629 -132.51054 788.02615
5150.0000 -137.60732 -131.24121 6.36611 2.48964 -131.27604 855.59121
5155.0000 -137.88153 -131.03354 6.84799 2.48476 -131.34836 838.07199
5160.0000 -136.23441 -130.06170 6.17271 2.59685 -129.68816 913.92085
5165.0000 -137.30455 -130.82379 6.48077 2.56539 -130.15408 895.57943
5170.0000 -137.71337 -130.93298 6.78040 2.50476 -131.05213 866.72007
5175.0000 -137.84622 -131.53890 6.30732 2.49434 -131.20641 855.60591
5180.0000 -139.62017 -134.35718 5.26299 2.37436 -132.98337 742.39447
5185.0000 -137.63405 -133.00317 4.63088 2.29027 -134.22886 703.32308
5190.0000 -139.07701 -132.29688 6.78014 2.42450 -132.24082 788.50065
5195.0000 -138.00199 -132.44566 5.55633 2.40849 -132.47793 764.65700
5200.0000 -138.29418 -133.77896 4.51522 2.35783 -133.22825 718.02574
5205.0000 -137.79637 -132.23581 5.56056 2.38240 -132.86443 746.15117
5210.0000 -137.78195 -131.79044 5.99151 2.43981 -132.01403 801.56603
5215.0000 -137.96286 -132.92843 5.03443 2.43844 -132.03435 799.89312
5220.0000 -139.59659 -134.04190 5.55468 2.36256 -133.15824 767.45997
5225.0000 -137.11072 -132.08459 5.02613 2.41759 -132.34314 793.02482
5230.0000 -136.11474 -130.66798 5.44676 2.52095 -130.81233 875.01866
5235.0000 -137.06061 -130.40251 6.65810 2.50270 -131.08263 825.84242
5240.0000 -137.78373 -132.46541 5.31832 2.49179 -131.24420 826.34825
5245.0000 -138.42243 -132.52455 5.89788 2.43802 -132.04063 815.50549
5250.0000 -139.46713 -132.47730 6.98983 2.38073 -132.88908 765.31951
MELTING PROCESS: loop number 22 T-loop= 845.00000000000000
main_MD> interactions number 22 at Temperature= 845.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57847 -0.01751 -3.86130
force_rgl> df(natom) 0.16776 0.75242 -2.42307
5255.0000 -138.00716 -132.50787 5.49929 2.46170 -131.68986 802.05435
5260.0000 -137.81872 -130.70833 7.11039 2.49056 -131.26248 853.48812
5265.0000 -137.77674 -131.12367 6.65307 2.50423 -131.05994 858.09266
5270.0000 -137.26938 -130.87556 6.39383 2.48825 -131.29657 835.17174
5275.0000 -136.68839 -131.03838 5.65000 2.48966 -131.27576 812.09428
5280.0000 -137.14280 -130.92734 6.21546 2.53279 -130.63695 861.69635
5285.0000 -137.46648 -130.57288 6.89360 2.52993 -130.67929 871.94095
5290.0000 -135.92015 -129.46929 6.45086 2.64174 -129.02329 958.61441
5295.0000 -136.72796 -129.11378 7.61418 2.65138 -128.88051 964.07527
5300.0000 -135.93988 -130.10104 5.83884 2.63339 -129.14692 922.30405
5305.0000 -135.73936 -128.37569 7.36367 2.59399 -129.73050 899.60031
5310.0000 -137.39741 -130.87791 6.51950 2.60628 -129.54851 897.62535
5315.0000 -134.74187 -127.85859 6.88328 2.61956 -129.35183 936.69773
5320.0000 -136.92231 -130.72524 6.19707 2.62218 -129.31292 953.34070
5325.0000 -137.61662 -130.10340 7.51322 2.50212 -131.09123 842.06150
5330.0000 -136.23577 -130.25395 5.98181 2.53939 -130.53926 849.65536
5335.0000 -136.81495 -130.54975 6.26519 2.52592 -130.73863 853.66590
5340.0000 -136.46053 -130.76804 5.69249 2.52122 -130.80831 847.98621
5345.0000 -138.53976 -131.00981 7.52995 2.51301 -130.92988 846.12262
5350.0000 -137.78796 -131.36788 6.42008 2.51003 -130.97399 868.69808
5355.0000 -136.90630 -130.96368 5.94261 2.49293 -131.22733 887.77220
5360.0000 -138.19576 -131.90119 6.29457 2.49680 -131.17006 868.87647
5365.0000 -138.08690 -131.97214 6.11476 2.47544 -131.48629 839.76038
5370.0000 -137.48096 -130.28463 7.19633 2.48520 -131.34175 857.37363
5375.0000 -138.35430 -132.62786 5.72644 2.42082 -132.29529 793.54619
5380.0000 -137.66808 -131.09343 6.57465 2.43614 -132.06846 787.46766
5385.0000 -137.85703 -131.80506 6.05198 2.47496 -131.49348 828.48794
5390.0000 -138.03752 -131.89847 6.13904 2.44601 -131.92230 790.51500
5395.0000 -137.96722 -132.21816 5.74906 2.50101 -131.10761 854.47706
5400.0000 -137.10763 -132.21517 4.89247 2.39409 -132.69121 772.14783
5405.0000 -137.42496 -131.26226 6.16270 2.49299 -131.22640 826.40199
5410.0000 -137.84588 -131.61044 6.23544 2.51833 -130.85117 866.90525
5415.0000 -136.92325 -131.37043 5.55283 2.43216 -132.12736 772.76311
5420.0000 -139.30270 -132.14939 7.15331 2.45013 -131.86117 806.15895
5425.0000 -135.53898 -128.85612 6.68286 2.53907 -130.54397 856.16512
5430.0000 -135.43795 -129.60025 5.83770 2.62163 -129.32107 913.13702
5435.0000 -138.43092 -131.93795 6.49297 2.53357 -130.62543 843.78341
5440.0000 -137.30723 -130.86653 6.44070 2.45738 -131.75384 816.61091
5445.0000 -136.62726 -130.44659 6.18068 2.50989 -130.97616 833.34577
5450.0000 -137.59333 -131.20324 6.39009 2.53196 -130.64923 843.08438
5455.0000 -139.04279 -133.45796 5.58483 2.47745 -131.45665 831.32311
5460.0000 -138.23189 -132.94568 5.28621 2.38862 -132.77219 757.29524
5465.0000 -138.23722 -132.65548 5.58173 2.43860 -132.03200 786.14776
5470.0000 -138.08787 -131.57611 6.51177 2.46491 -131.64236 825.17369
5475.0000 -136.94023 -130.66914 6.27109 2.51810 -130.85451 861.37177
5480.0000 -138.31526 -131.10239 7.21287 2.56331 -130.18486 886.61548
5485.0000 -137.27075 -129.24648 8.02427 2.50090 -131.10932 848.94688
5490.0000 -135.62158 -128.58349 7.03809 2.59422 -129.72717 900.54067
5495.0000 -135.32152 -128.94076 6.38076 2.63266 -129.15773 938.05274
5500.0000 -136.77336 -129.56756 7.20579 2.63183 -129.17008 921.95871
MELTING PROCESS: loop number 23 T-loop= 870.00000000000000
main_MD> interactions number 23 at Temperature= 870.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.28189 -2.70412 0.58001
force_rgl> df(natom) -2.50759 3.81656 -5.13197
5505.0000 -136.46310 -129.69948 6.76361 2.58029 -129.93336 907.77145
5510.0000 -136.31400 -130.64461 5.66939 2.60630 -129.54819 931.31196
5515.0000 -137.25270 -131.44707 5.80564 2.47781 -131.45120 823.66818
5520.0000 -137.39230 -129.92171 7.47059 2.56434 -130.16971 860.86529
5525.0000 -136.44730 -130.01126 6.43604 2.57163 -130.06168 924.00516
5530.0000 -137.18072 -131.59278 5.58795 2.56101 -130.21905 878.67401
5535.0000 -137.93281 -132.20012 5.73269 2.47096 -131.55273 812.33987
5540.0000 -138.37506 -131.23753 7.13753 2.46646 -131.61935 816.77549
5545.0000 -136.67662 -130.58631 6.09031 2.50866 -130.99426 846.40585
5550.0000 -137.42166 -131.53810 5.88355 2.48346 -131.36753 853.25475
5555.0000 -136.34455 -130.35843 5.98612 2.50812 -131.00236 859.96283
5560.0000 -137.04934 -129.41721 7.63213 2.56037 -130.22842 879.40512
5565.0000 -136.12226 -129.97357 6.14869 2.56152 -130.21147 905.20302
5570.0000 -136.80300 -129.49127 7.31173 2.56257 -130.19582 907.33375
5575.0000 -134.29350 -128.05307 6.24043 2.66257 -128.71472 953.12806
5580.0000 -137.29681 -130.07301 7.22380 2.65625 -128.80838 998.14370
5585.0000 -137.59424 -131.62540 5.96884 2.51120 -130.95670 812.81633
5590.0000 -138.63934 -131.98164 6.65769 2.47379 -131.51085 804.59111
5595.0000 -136.74648 -129.52139 7.22509 2.48909 -131.28420 829.15761
5600.0000 -137.48604 -130.34372 7.14232 2.59329 -129.74092 896.05678
5605.0000 -135.99716 -129.55238 6.44479 2.57608 -129.99575 880.17976
5610.0000 -136.88255 -130.07642 6.80613 2.64002 -129.04879 924.91509
5615.0000 -137.47117 -129.75222 7.71895 2.59546 -129.70876 941.55571
5620.0000 -136.32387 -129.75936 6.56451 2.58042 -129.93150 912.41469
5625.0000 -136.00265 -128.56654 7.43610 2.64746 -128.93862 938.60476
5630.0000 -136.33680 -128.90006 7.43674 2.62609 -129.25509 933.40870
5635.0000 -137.25813 -131.14716 6.11097 2.56059 -130.22519 904.58259
5640.0000 -136.42996 -129.68773 6.74223 2.59581 -129.70355 922.27591
5645.0000 -137.48271 -131.84278 5.63993 2.51499 -130.90053 868.45053
5650.0000 -136.42380 -130.23196 6.19184 2.54189 -130.50216 878.58820
5655.0000 -136.33484 -130.69487 5.63997 2.56699 -130.13045 870.74707
5660.0000 -137.56513 -130.77203 6.79310 2.54557 -130.44769 860.54527
5665.0000 -137.63069 -132.03810 5.59258 2.50520 -131.04558 820.98534
5670.0000 -137.58237 -131.15967 6.42270 2.49458 -131.20283 856.85076
5675.0000 -137.86903 -131.70122 6.16780 2.47603 -131.47761 859.98949
5680.0000 -137.39231 -131.80329 5.58902 2.43672 -132.05986 839.60662
5685.0000 -137.36512 -131.67800 5.68712 2.45896 -131.73042 801.22072
5690.0000 -137.66398 -131.17825 6.48573 2.48517 -131.34217 811.20415
5695.0000 -136.70209 -130.36309 6.33899 2.52644 -130.73104 859.15833
5700.0000 -138.07493 -132.35699 5.71794 2.44512 -131.93548 788.97294
5705.0000 -136.42703 -130.19821 6.22882 2.48707 -131.31413 855.43066
5710.0000 -137.92261 -132.90334 5.01927 2.47996 -131.41936 847.30207
5715.0000 -138.18408 -131.03824 7.14584 2.50912 -130.98756 870.51543
5720.0000 -137.23876 -130.37223 6.86653 2.50765 -131.00924 880.52937
5725.0000 -137.09935 -129.72727 7.37208 2.57789 -129.96890 892.63737
5730.0000 -134.69471 -128.36940 6.32531 2.58924 -129.80083 903.03828
5735.0000 -135.30969 -128.46313 6.84656 2.68069 -128.44641 966.68375
5740.0000 -137.04102 -130.24041 6.80061 2.62802 -129.22655 905.78377
5745.0000 -136.13269 -130.28937 5.84332 2.51066 -130.96474 837.85349
5750.0000 -136.52179 -129.74343 6.77836 2.57149 -130.06378 900.32214
MELTING PROCESS: loop number 24 T-loop= 895.00000000000000
main_MD> interactions number 24 at Temperature= 895.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.10595 -0.86644 1.48118
force_rgl> df(natom) 0.93592 -0.99382 -2.99046
5755.0000 -136.34719 -129.58827 6.75893 2.60468 -129.57216 889.78715
5760.0000 -136.63057 -131.26283 5.36774 2.56596 -130.14563 911.99228
5765.0000 -138.40353 -131.16583 7.23769 2.48827 -131.29633 831.29793
5770.0000 -137.45951 -131.84503 5.61448 2.46127 -131.69630 854.38620
5775.0000 -137.28453 -131.52135 5.76318 2.48036 -131.41353 828.00808
5780.0000 -138.51160 -132.23414 6.27746 2.40926 -132.46651 757.09310
5785.0000 -137.30494 -131.61316 5.69177 2.40980 -132.45851 757.17579
5790.0000 -136.78083 -130.12376 6.65707 2.52378 -130.77040 818.71567
5795.0000 -135.62277 -130.31938 5.30338 2.56044 -130.22746 864.84419
5800.0000 -136.78901 -130.52299 6.26602 2.59766 -129.67611 875.89604
5805.0000 -138.06022 -132.59426 5.46597 2.52599 -130.73761 871.68749
5810.0000 -138.26176 -131.25739 7.00437 2.48456 -131.35130 832.75449
5815.0000 -137.04726 -131.24978 5.79748 2.54383 -130.47343 915.19269
5820.0000 -137.20852 -129.34262 7.86590 2.51114 -130.95760 879.33758
5825.0000 -135.31140 -129.67967 5.63174 2.60761 -129.52877 911.65632
5830.0000 -137.68268 -130.99297 6.68971 2.54700 -130.42645 877.19359
5835.0000 -136.30228 -128.47966 7.82262 2.55611 -130.29157 883.95117
5840.0000 -135.19919 -128.62500 6.57419 2.68279 -128.41532 977.35360
5845.0000 -137.30458 -131.42505 5.87954 2.63221 -129.16438 945.08423
5850.0000 -138.74714 -132.23627 6.51087 2.46570 -131.63057 813.94690
5855.0000 -136.50864 -129.46183 7.04681 2.47161 -131.54301 837.38182
5860.0000 -135.78655 -129.31885 6.46770 2.59148 -129.76766 907.47321
5865.0000 -136.08416 -129.40012 6.68404 2.53721 -130.57152 858.23306
5870.0000 -136.55044 -130.19231 6.35813 2.57263 -130.04693 891.16021
5875.0000 -136.13074 -128.64010 7.49064 2.62819 -129.22404 891.88936
5880.0000 -136.07298 -129.82652 6.24646 2.60298 -129.59739 910.90854
5885.0000 -136.75238 -129.44067 7.31172 2.58962 -129.79529 924.30247
5890.0000 -135.68854 -129.27581 6.41273 2.63218 -129.16490 958.85571
5895.0000 -137.15584 -132.07654 5.07929 2.50875 -130.99296 851.07929
5900.0000 -136.45115 -130.81553 5.63562 2.51388 -130.91702 858.33986
5905.0000 -137.29135 -130.37614 6.91520 2.54429 -130.46661 860.36789
5910.0000 -136.99933 -130.23074 6.76859 2.54990 -130.38351 859.35908
5915.0000 -136.22611 -129.56117 6.66495 2.58677 -129.83748 907.43040
5920.0000 -137.73470 -132.32098 5.41372 2.46788 -131.59836 826.48465
5925.0000 -138.69456 -132.08463 6.60993 2.42798 -132.18925 820.56997
5930.0000 -137.06359 -131.60695 5.45663 2.45822 -131.74144 839.36347
5935.0000 -137.43749 -130.88771 6.54978 2.48617 -131.32739 852.50635
5940.0000 -137.74955 -131.16781 6.58174 2.50058 -131.11403 878.27110
5945.0000 -136.23005 -129.61714 6.61290 2.52410 -130.76564 869.97456
5950.0000 -136.69816 -128.95666 7.74150 2.61757 -129.38126 945.57304
5955.0000 -135.73773 -129.50119 6.23654 2.60728 -129.53369 906.65902
5960.0000 -137.29135 -129.92162 7.36973 2.60885 -129.51047 931.30416
5965.0000 -137.49673 -131.32891 6.16782 2.53551 -130.59668 885.31497
5970.0000 -136.81994 -130.12625 6.69369 2.51398 -130.91555 859.39451
5975.0000 -136.87506 -130.66843 6.20662 2.54361 -130.47675 887.86855
5980.0000 -136.01455 -130.22268 5.79186 2.53693 -130.57565 874.88734
5985.0000 -135.19731 -128.64952 6.54779 2.64334 -128.99962 922.92568
5990.0000 -137.77721 -131.68317 6.09404 2.51211 -130.94321 812.56635
5995.0000 -136.25672 -130.92246 5.33426 2.49293 -131.22735 831.97458
6000.0000 -136.41228 -129.33855 7.07373 2.59476 -129.71904 922.36551
MELTING PROCESS: loop number 25 T-loop= 920.00000000000000
main_MD> interactions number 25 at Temperature= 920.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.91453 -0.44356 1.58408
force_rgl> df(natom) -3.06788 1.59885 0.70548
6005.0000 -136.62944 -129.29959 7.32985 2.57649 -129.98967 913.26926
6010.0000 -135.64932 -127.61613 8.03319 2.63202 -129.16730 943.12159
6015.0000 -137.01983 -130.88929 6.13055 2.59065 -129.77992 935.62058
6020.0000 -135.54815 -127.93572 7.61243 2.64015 -129.04682 949.93281
6025.0000 -138.09017 -130.85805 7.23213 2.63791 -129.07998 950.84203
6030.0000 -136.83941 -129.53082 7.30859 2.58974 -129.79342 918.07015
6035.0000 -136.64250 -129.30650 7.33600 2.61537 -129.41388 906.35708
6040.0000 -135.12122 -127.91464 7.20657 2.68842 -128.33197 964.25390
6045.0000 -135.31802 -128.07971 7.23831 2.67915 -128.46926 948.12609
6050.0000 -136.93714 -130.04067 6.89647 2.68164 -128.43237 944.37864
6055.0000 -136.80628 -130.38659 6.41969 2.55121 -130.36417 869.92045
6060.0000 -137.41677 -129.56278 7.85399 2.59157 -129.76639 935.60892
6065.0000 -136.68309 -130.33249 6.35060 2.56490 -130.16144 883.83229
6070.0000 -136.16519 -128.70838 7.45681 2.55982 -130.23657 870.50718
6075.0000 -136.36903 -129.69128 6.67775 2.70132 -128.14080 946.76931
6080.0000 -135.87477 -129.15857 6.71620 2.62998 -129.19749 945.05047
6085.0000 -137.06441 -129.75769 7.30672 2.60577 -129.55609 941.45292
6090.0000 -136.33375 -127.89558 8.43817 2.63021 -129.19400 922.70793
6095.0000 -135.64368 -128.16126 7.48242 2.72010 -127.86274 1013.36855
6100.0000 -137.14203 -128.87835 8.26367 2.69326 -128.26019 996.86169
6105.0000 -136.19215 -129.51901 6.67314 2.60161 -129.61759 894.44424
6110.0000 -135.54814 -128.13230 7.41583 2.66592 -128.66509 941.96045
6115.0000 -135.68703 -127.95111 7.73592 2.69750 -128.19746 986.18724
6120.0000 -135.84287 -128.27914 7.56373 2.72019 -127.86136 1001.94627
6125.0000 -136.41093 -129.50588 6.90505 2.71190 -127.98416 1007.09801
6130.0000 -136.27911 -129.70927 6.56984 2.61994 -129.34618 927.01876
6135.0000 -136.29488 -129.60303 6.69184 2.59700 -129.68594 893.80207
6140.0000 -137.15052 -129.87997 7.27055 2.58355 -129.88513 907.64565
6145.0000 -136.79345 -130.99624 5.79721 2.59469 -129.72013 883.80674
6150.0000 -137.03841 -130.45886 6.57955 2.51698 -130.87111 856.90650
6155.0000 -136.49274 -129.38681 7.10593 2.55984 -130.23636 899.71366
6160.0000 -136.09912 -129.54754 6.55158 2.60166 -129.61693 905.11084
6165.0000 -135.79583 -129.77243 6.02340 2.61153 -129.47078 891.59596
6170.0000 -136.64451 -130.40596 6.23855 2.52211 -130.79515 882.86934
6175.0000 -136.37970 -129.69157 6.68813 2.51666 -130.87588 860.26645
6180.0000 -137.46643 -131.19817 6.26826 2.55724 -130.27476 902.61881
6185.0000 -136.97229 -130.35728 6.61501 2.53558 -130.59559 907.34593
6190.0000 -136.74498 -128.53134 8.21364 2.63079 -129.18541 920.09387
6195.0000 -134.22410 -127.75797 6.46613 2.69390 -128.25069 967.89598
6200.0000 -135.32670 -130.03829 5.28841 2.62460 -129.27710 923.31470
6205.0000 -136.74912 -129.11999 7.62913 2.62836 -129.22153 923.57348
6210.0000 -135.75776 -129.04802 6.70974 2.64526 -128.97117 969.29225
6215.0000 -135.99437 -127.95465 8.03972 2.66444 -128.68707 969.35707
6220.0000 -137.26218 -131.55779 5.70439 2.61219 -129.46095 935.40860
6225.0000 -135.67314 -128.00893 7.66421 2.62035 -129.34003 942.52692
6230.0000 -137.25306 -130.77266 6.48041 2.61223 -129.46034 926.13577
6235.0000 -137.05913 -131.76010 5.29903 2.47661 -131.46902 805.24037
6240.0000 -137.36153 -130.91557 6.44597 2.49789 -131.15380 841.14048
6245.0000 -135.89697 -129.56423 6.33273 2.52755 -130.71462 866.13358
6250.0000 -135.12762 -127.26002 7.86760 2.71536 -127.93296 1020.31201
MELTING PROCESS: loop number 26 T-loop= 945.00000000000000
main_MD> interactions number 26 at Temperature= 945.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.76594 3.92704 2.66841
force_rgl> df(natom) -0.36420 0.84307 2.88571
6255.0000 -135.09978 -128.09997 6.99981 2.72145 -127.84268 1049.17398
6260.0000 -136.35452 -128.60292 7.75160 2.70323 -128.11262 1000.91701
6265.0000 -134.98104 -129.04183 5.93921 2.63907 -129.06285 929.56985
6270.0000 -136.70172 -129.57353 7.12819 2.67512 -128.52887 961.57413
6275.0000 -135.24034 -129.17306 6.06728 2.58894 -129.80526 888.36401
6280.0000 -134.30519 -128.13382 6.17137 2.72871 -127.73523 972.78957
6285.0000 -135.06733 -127.99831 7.06903 2.75064 -127.41033 1007.60150
6290.0000 -135.30167 -127.60476 7.69691 2.76683 -127.17053 1012.41080
6295.0000 -134.69221 -125.44403 9.24818 2.78372 -126.92042 1040.47230
6300.0000 -135.90966 -127.53988 8.36978 2.80510 -126.60370 1034.31267
6305.0000 -135.19480 -129.41114 5.78366 2.71276 -127.97146 990.50833
6310.0000 -136.01792 -129.77065 6.24727 2.63706 -129.09257 913.80689
6315.0000 -136.70375 -129.95143 6.75232 2.56863 -130.10609 899.26895
6320.0000 -136.67833 -129.71457 6.96377 2.59273 -129.74923 887.22243
6325.0000 -137.97369 -131.51217 6.46152 2.56161 -130.21005 884.88564
6330.0000 -136.36705 -128.69218 7.67487 2.60113 -129.62483 906.63473
6335.0000 -137.25847 -129.58295 7.67551 2.72162 -127.84016 1005.22516
6340.0000 -138.18273 -130.96675 7.21598 2.52443 -130.76082 882.69310
6345.0000 -135.12316 -126.81747 8.30569 2.61822 -129.37160 950.07629
6350.0000 -134.82421 -125.84528 8.97893 2.77431 -127.05975 1048.97587
6355.0000 -134.50258 -127.18479 7.31779 2.77801 -127.00506 1059.68756
6360.0000 -134.81173 -128.60549 6.20624 2.68400 -128.39737 947.48295
6365.0000 -136.38070 -130.12251 6.25819 2.57547 -130.00488 860.49562
6370.0000 -135.44086 -128.67230 6.76856 2.60135 -129.62151 922.11692
6375.0000 -135.91286 -128.61264 7.30023 2.63936 -129.05856 953.76869
6380.0000 -135.11209 -128.12554 6.98655 2.75102 -127.40472 1032.82476
6385.0000 -135.53928 -128.69305 6.84624 2.69160 -128.28480 987.55230
6390.0000 -135.99947 -129.19805 6.80142 2.67531 -128.52602 931.24457
6395.0000 -136.57213 -128.83615 7.73598 2.57975 -129.94136 901.88208
6400.0000 -137.84131 -131.25140 6.58991 2.62057 -129.33680 920.84367
6405.0000 -134.77660 -127.58384 7.19276 2.58443 -129.87208 905.40918
6410.0000 -136.85373 -131.21086 5.64287 2.61396 -129.43481 922.41162
6415.0000 -136.60648 -130.30872 6.29776 2.51976 -130.82995 882.45608
6420.0000 -135.25840 -128.22843 7.02996 2.64088 -129.03604 953.06716
6425.0000 -137.52149 -130.39969 7.12181 2.59736 -129.68058 931.52266
6430.0000 -136.21981 -129.99359 6.22622 2.57815 -129.96519 939.66942
6435.0000 -137.38283 -129.70363 7.67921 2.59822 -129.66786 927.23057
6440.0000 -136.71595 -129.43602 7.27993 2.56658 -130.13644 903.21448
6445.0000 -135.43562 -127.50061 7.93501 2.69172 -128.28300 957.97031
6450.0000 -136.56038 -128.34116 8.21922 2.69656 -128.21136 948.63209
6455.0000 -135.09390 -128.27978 6.81411 2.68299 -128.41228 989.79359
6460.0000 -135.29056 -129.01655 6.27401 2.71143 -127.99116 991.38106
6465.0000 -137.09434 -130.27409 6.82026 2.61828 -129.37075 949.63452
6470.0000 -134.88287 -127.66950 7.21338 2.58948 -129.79727 894.24759
6475.0000 -135.04588 -128.16321 6.88266 2.71435 -127.94792 998.19530
6480.0000 -134.61534 -126.33905 8.27629 2.78639 -126.88094 1022.62145
6485.0000 -135.69997 -128.94572 6.75425 2.72506 -127.78931 1007.95811
6490.0000 -136.32668 -129.98541 6.34126 2.60319 -129.59421 907.25380
6495.0000 -136.78370 -129.15102 7.63268 2.57239 -130.05050 890.88240
6500.0000 -136.10009 -128.83831 7.26178 2.61724 -129.38609 955.12842
MELTING PROCESS: loop number 27 T-loop= 970.00000000000000
main_MD> interactions number 27 at Temperature= 970.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.34121 -0.94474 0.06797
force_rgl> df(natom) 1.98875 2.14359 0.27446
6505.0000 -137.31969 -129.44912 7.87057 2.67074 -128.59380 975.95065
6510.0000 -134.59974 -128.49975 6.09999 2.63967 -129.05397 969.38698
6515.0000 -134.82610 -127.39579 7.43032 2.75662 -127.32186 1029.38922
6520.0000 -135.27645 -128.96370 6.31275 2.70884 -128.02951 992.91327
6525.0000 -135.41697 -128.28039 7.13658 2.64668 -128.95012 980.01165
6530.0000 -133.73668 -126.96426 6.77242 2.71672 -127.91272 1017.80845
6535.0000 -134.20979 -126.95769 7.25210 2.80759 -126.56689 1055.86602
6540.0000 -134.99504 -126.01396 8.98108 2.79705 -126.72293 1049.01924
6545.0000 -135.14956 -128.86745 6.28211 2.78581 -126.88941 1059.00920
6550.0000 -136.01711 -128.61873 7.39837 2.63612 -129.10655 984.20882
6555.0000 -134.78220 -127.40311 7.37910 2.74247 -127.53143 1034.68927
6560.0000 -136.94051 -129.62238 7.31813 2.66921 -128.61650 964.58600
6565.0000 -135.14947 -127.18772 7.96175 2.59479 -129.71869 910.46212
6570.0000 -135.56510 -128.53219 7.03292 2.73427 -127.65286 986.23184
6575.0000 -136.28310 -127.67868 8.60442 2.74231 -127.53372 1032.83059
6580.0000 -135.84899 -128.09886 7.75013 2.73012 -127.71435 1011.93036
6585.0000 -135.52116 -129.25152 6.26964 2.71294 -127.96878 1021.72067
6590.0000 -136.29355 -128.92006 7.37349 2.63441 -129.13189 950.93133
6595.0000 -135.91919 -127.98424 7.93495 2.67038 -128.59914 969.04245
6600.0000 -133.71150 -125.65887 8.05263 2.77246 -127.08717 1027.42406
6605.0000 -133.52455 -126.41620 7.10835 2.82931 -126.24518 1073.55332
6610.0000 -135.96525 -128.01261 7.95264 2.76774 -127.15716 1033.37952
6615.0000 -136.06122 -127.72521 8.33602 2.70380 -128.10416 1002.38403
6620.0000 -135.53740 -128.07600 7.46140 2.75227 -127.38619 1030.45550
6625.0000 -134.84666 -126.77824 8.06843 2.77292 -127.08036 1043.67392
6630.0000 -134.13012 -127.55381 6.57631 2.82825 -126.26087 1079.37677
6635.0000 -135.59018 -127.26277 8.32741 2.71214 -127.98065 1015.09448
6640.0000 -135.42453 -128.23983 7.18469 2.68928 -128.31919 1002.19620
6645.0000 -133.84538 -126.93086 6.91451 2.76719 -127.16524 1058.21161
6650.0000 -136.03605 -129.11608 6.91997 2.71909 -127.87766 998.04938
6655.0000 -134.18921 -127.75020 6.43901 2.67665 -128.50627 944.92562
6660.0000 -133.90994 -125.76874 8.14120 2.76706 -127.16714 1023.72580
6665.0000 -133.01420 -127.00163 6.01256 2.79871 -126.69847 1018.64171
6670.0000 -133.83696 -126.47864 7.35832 2.82339 -126.33294 1086.78559
6675.0000 -135.82901 -128.16808 7.66093 2.72272 -127.82394 1004.32464
6680.0000 -134.19110 -125.76737 8.42373 2.78779 -126.86008 1008.88383
6685.0000 -137.00160 -130.35642 6.64517 2.67357 -128.55179 952.03303
6690.0000 -135.31294 -128.19342 7.11952 2.65954 -128.75963 962.97915
6695.0000 -136.53778 -128.78045 7.75733 2.71626 -127.91958 1008.01418
6700.0000 -135.00542 -125.92732 9.07810 2.74326 -127.51961 1042.75640
6705.0000 -136.58256 -129.69849 6.88407 2.65901 -128.76749 965.37211
6710.0000 -134.55479 -128.57088 5.98391 2.61042 -129.48714 925.50252
6715.0000 -134.98168 -127.32080 7.66087 2.69378 -128.25246 954.52553
6720.0000 -136.03492 -128.99206 7.04286 2.72230 -127.83013 991.79645
6725.0000 -136.72939 -130.06887 6.66052 2.59529 -129.71124 913.33493
6730.0000 -136.86736 -128.73952 8.12784 2.58367 -129.88330 921.41737
6735.0000 -136.92973 -129.86398 7.06575 2.65890 -128.76916 965.62577
6740.0000 -135.43674 -128.19008 7.24666 2.63883 -129.06634 926.52939
6745.0000 -135.00795 -128.00188 7.00607 2.71314 -127.96581 996.77697
6750.0000 -134.85055 -128.17703 6.67352 2.75615 -127.32880 1033.46381
MELTING PROCESS: loop number 28 T-loop= 995.00000000000000
main_MD> interactions number 28 at Temperature= 995.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23528 -0.83851 -2.40297
force_rgl> df(natom) 0.55674 -0.46624 -3.18808
6755.0000 -135.51639 -128.17813 7.33826 2.66238 -128.71755 953.87196
6760.0000 -133.26902 -125.54987 7.71915 2.71564 -127.92879 997.84106
6765.0000 -134.64601 -128.15121 6.49479 2.79805 -126.70817 1088.75520
6770.0000 -136.34611 -129.19500 7.15112 2.72181 -127.83744 1021.02592
6775.0000 -134.93525 -127.23430 7.70095 2.73071 -127.70554 990.94562
6780.0000 -134.85236 -127.21989 7.63248 2.76643 -127.17648 1033.62975
6785.0000 -137.23575 -128.57605 8.65969 2.72523 -127.78671 1047.64219
6790.0000 -136.22412 -129.42797 6.79615 2.66422 -128.69031 956.06231
6795.0000 -135.42145 -128.71080 6.71064 2.68684 -128.35539 963.39333
6800.0000 -135.35815 -127.59056 7.76760 2.71724 -127.90505 1000.92286
6805.0000 -134.38561 -126.78920 7.59641 2.74815 -127.44732 1029.16913
6810.0000 -135.57592 -128.35201 7.22391 2.71089 -127.99909 1007.88132
6815.0000 -136.51344 -128.78181 7.73164 2.62222 -129.31236 954.60714
6820.0000 -137.41298 -131.78079 5.63219 2.56883 -130.10310 917.52391
6825.0000 -137.84871 -131.02496 6.82375 2.51281 -130.93285 886.67398
6830.0000 -135.50848 -129.34969 6.15879 2.56802 -130.11515 899.57775
6835.0000 -134.66122 -128.67513 5.98608 2.63375 -129.14168 942.92988
6840.0000 -134.47097 -126.51843 7.95254 2.78801 -126.85686 1059.97338
6845.0000 -136.98199 -129.70864 7.27334 2.76947 -127.13156 1022.56536
6850.0000 -134.95824 -128.90413 6.05411 2.65701 -128.79712 949.62252
6855.0000 -134.13917 -126.01278 8.12640 2.74958 -127.42612 986.69553
6860.0000 -134.53674 -127.81593 6.72081 2.73734 -127.60730 1011.80882
6865.0000 -135.45596 -126.97611 8.47985 2.74154 -127.54513 1034.94036
6870.0000 -133.86819 -127.46092 6.40727 2.74804 -127.44891 1027.95780
6875.0000 -135.97368 -127.49659 8.47710 2.74379 -127.51189 1026.90081
6880.0000 -135.38973 -127.80181 7.58793 2.69857 -128.18166 983.87312
6885.0000 -136.43434 -129.17773 7.25661 2.72057 -127.85572 1007.12648
6890.0000 -135.91459 -128.80457 7.11002 2.66114 -128.73595 936.31434
6895.0000 -134.29887 -127.56207 6.73680 2.71029 -128.00793 963.03367
6900.0000 -134.83451 -128.06872 6.76580 2.66193 -128.72432 944.31399
6905.0000 -134.17162 -127.61113 6.56050 2.69452 -128.24150 1011.94341
6910.0000 -134.07952 -126.03013 8.04939 2.76581 -127.18574 995.70517
6915.0000 -133.97072 -126.70182 7.26890 2.81695 -126.42828 1064.35434
6920.0000 -133.03077 -124.51636 8.51441 2.82330 -126.33415 1052.42818
6925.0000 -133.44042 -125.68324 7.75718 2.87763 -125.52959 1144.31538
6930.0000 -132.12825 -124.65884 7.46941 2.94857 -124.47882 1150.55884
6935.0000 -135.16313 -126.85986 8.30326 2.87361 -125.58913 1114.14159
6940.0000 -136.57834 -128.53633 8.04202 2.73481 -127.64486 1018.19655
6945.0000 -134.28800 -128.54684 5.74116 2.67623 -128.51247 928.91416
6950.0000 -134.76715 -128.04507 6.72208 2.73631 -127.62268 1022.47993
6955.0000 -136.79861 -129.85781 6.94080 2.60229 -129.60754 921.83010
6960.0000 -135.77918 -129.17038 6.60880 2.65078 -128.88947 990.76940
6965.0000 -137.59257 -130.16642 7.42615 2.60271 -129.60144 936.65193
6970.0000 -135.90999 -129.85111 6.05888 2.60015 -129.63925 915.50893
6975.0000 -137.28959 -130.69990 6.58969 2.57487 -130.01367 919.64391
6980.0000 -137.09566 -129.68955 7.40612 2.62048 -129.33821 916.78749
6985.0000 -136.30025 -130.56965 5.73060 2.58682 -129.83665 928.23001
6990.0000 -136.54650 -130.08551 6.46099 2.54415 -130.46871 839.77515
6995.0000 -136.64212 -130.22268 6.41945 2.54293 -130.48676 844.85879
7000.0000 -134.89544 -128.12622 6.76922 2.60292 -129.59831 933.41044
MELTING PROCESS: loop number 29 T-loop= 1020.0000000000000
main_MD> interactions number 29 at Temperature= 1020.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.72225 1.14957 -0.80074
force_rgl> df(natom) -0.66485 0.72160 -0.66471
7005.0000 -135.61925 -127.47317 8.14607 2.72755 -127.75230 995.64968
7010.0000 -136.00202 -128.39519 7.60683 2.69586 -128.22166 976.68751
7015.0000 -134.98364 -128.32264 6.66101 2.64833 -128.92563 948.58628
7020.0000 -135.66902 -128.15573 7.51329 2.68093 -128.44281 961.66278
7025.0000 -135.90002 -127.21833 8.68170 2.72469 -127.79470 999.88993
7030.0000 -134.95521 -127.13922 7.81599 2.79959 -126.68539 1038.10364
7035.0000 -135.05862 -127.20670 7.85191 2.73443 -127.65042 1031.61072
7040.0000 -136.15515 -128.60282 7.55233 2.72710 -127.75904 1036.38967
7045.0000 -136.06476 -128.98298 7.08178 2.69460 -128.24033 972.11507
7050.0000 -136.43832 -129.20859 7.22973 2.61525 -129.41565 924.11210
7055.0000 -135.30917 -128.44407 6.86510 2.66432 -128.68890 991.03699
7060.0000 -136.03133 -126.97502 9.05632 2.70857 -128.03352 1005.31473
7065.0000 -132.91619 -125.23947 7.67672 2.80041 -126.67327 1046.23024
7070.0000 -135.37917 -128.51447 6.86471 2.74616 -127.47675 1051.15830
7075.0000 -135.17379 -128.36179 6.81201 2.68338 -128.40658 985.60548
7080.0000 -135.41443 -129.27717 6.13727 2.71702 -127.90840 1042.53287
7085.0000 -136.14431 -127.57931 8.56500 2.64648 -128.95315 932.14715
7090.0000 -136.19287 -129.67935 6.51353 2.65544 -128.82036 975.74306
7095.0000 -137.11272 -129.97464 7.13808 2.58538 -129.85806 923.13526
7100.0000 -136.33622 -129.52731 6.80891 2.65167 -128.87624 941.57387
7105.0000 -135.95933 -127.21160 8.74772 2.60253 -129.60401 907.37517
7110.0000 -134.32947 -126.94145 7.38802 2.75240 -127.38428 1051.94873
7115.0000 -136.20487 -128.00922 8.19566 2.76576 -127.18647 1042.65588
7120.0000 -135.32226 -128.44865 6.87361 2.68744 -128.34643 973.24272
7125.0000 -133.05287 -126.28113 6.77174 2.70259 -128.12197 999.40730
7130.0000 -135.01575 -128.17441 6.84134 2.82957 -126.24134 1111.83610
7135.0000 -136.57152 -129.33852 7.23301 2.69295 -128.26478 994.44287
7140.0000 -135.66136 -129.38169 6.27967 2.59955 -129.64821 902.67645
7145.0000 -137.34561 -130.62172 6.72389 2.58350 -129.88582 901.10425
7150.0000 -137.16872 -131.87445 5.29428 2.54021 -130.52700 860.22384
7155.0000 -135.29122 -127.77520 7.51602 2.57844 -129.96087 913.32322
7160.0000 -134.44439 -127.24946 7.19493 2.79083 -126.81515 1047.21201
7165.0000 -135.28945 -127.63971 7.64974 2.70969 -128.01682 994.95428
7170.0000 -135.02953 -127.63670 7.39283 2.76984 -127.12605 1073.29230
7175.0000 -136.30984 -130.11414 6.19570 2.66030 -128.74847 934.63219
7180.0000 -135.23756 -126.77748 8.46008 2.64276 -129.00822 940.79049
7185.0000 -134.53967 -127.25233 7.28734 2.78665 -126.87706 1025.89148
7190.0000 -134.25335 -127.14749 7.10586 2.72146 -127.84262 1005.74577
7195.0000 -136.87019 -127.74183 9.12835 2.81817 -126.41025 1094.32231
7200.0000 -134.46266 -126.30048 8.16218 2.75834 -127.29631 1011.25625
7205.0000 -134.53634 -126.92343 7.61291 2.82017 -126.38059 1030.52954
7210.0000 -133.67275 -126.83242 6.84034 2.79847 -126.70196 1028.89184
7215.0000 -134.44971 -127.42971 7.02000 2.74563 -127.48460 1012.25049
7220.0000 -134.52315 -126.60350 7.91965 2.76332 -127.22257 1028.19208
7225.0000 -136.99750 -130.28718 6.71032 2.67900 -128.47137 970.38948
7230.0000 -135.43186 -127.43869 7.99317 2.67745 -128.49437 934.12530
7235.0000 -132.84107 -124.72036 8.12071 2.78608 -126.88548 1040.77226
7240.0000 -133.29568 -126.23458 7.06110 2.88082 -125.48234 1159.90837
7245.0000 -133.07613 -125.45148 7.62465 2.85406 -125.87866 1081.26200
7250.0000 -134.43951 -128.15732 6.28219 2.83477 -126.16426 1057.69044
MELTING PROCESS: loop number 30 T-loop= 1045.0000000000000
main_MD> interactions number 30 at Temperature= 1045.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86060 -2.48944 -6.19705
force_rgl> df(natom) 0.35756 -1.81350 1.05542
7255.0000 -135.04950 -127.92695 7.12255 2.72454 -127.79694 1010.15105
7260.0000 -133.84593 -127.59670 6.24923 2.68864 -128.32862 984.59616
7265.0000 -133.76726 -126.63140 7.13586 2.75338 -127.36973 1043.33919
7270.0000 -135.90226 -128.62689 7.27537 2.72146 -127.84259 1019.67633
7275.0000 -134.32615 -125.79006 8.53609 2.78479 -126.90452 1045.34892
7280.0000 -133.72234 -125.89098 7.83135 2.85018 -125.93612 1096.04246
7285.0000 -132.61790 -124.07570 8.54219 2.93326 -124.70560 1177.60288
7290.0000 -132.47873 -124.47878 7.99995 2.93437 -124.68917 1208.16033
7295.0000 -132.71772 -125.24597 7.47175 2.91037 -125.04466 1121.62647
7300.0000 -133.65545 -125.24889 8.40657 2.92265 -124.86271 1153.92890
7305.0000 -134.81230 -126.39935 8.41294 2.86585 -125.70396 1141.85676
7310.0000 -134.18904 -125.83512 8.35392 2.78550 -126.89400 1050.88680
7315.0000 -132.83808 -124.66114 8.17694 2.88678 -125.39402 1128.12702
7320.0000 -133.93937 -126.21245 7.72692 2.90102 -125.18314 1091.65889
7325.0000 -135.92928 -128.78544 7.14383 2.71064 -128.00283 976.96725
7330.0000 -135.02229 -126.66651 8.35578 2.72173 -127.83855 982.96913
7335.0000 -135.35863 -127.09106 8.26757 2.83710 -126.12987 1072.33956
7340.0000 -134.46307 -127.59572 6.86735 2.78793 -126.85808 1049.21605
7345.0000 -135.70782 -127.68553 8.02229 2.73688 -127.61411 1035.80557
7350.0000 -133.29149 -126.41072 6.88077 2.76963 -127.12916 1004.48949
7355.0000 -131.87721 -123.43932 8.43789 2.90161 -125.17441 1112.19976
7360.0000 -133.93722 -125.53064 8.40658 2.96385 -124.25248 1191.70746
7365.0000 -134.67142 -126.62467 8.04675 2.81317 -126.48422 1088.44793
7370.0000 -134.15324 -126.04466 8.10858 2.76682 -127.17078 1034.22783
7375.0000 -133.11766 -125.65179 7.46587 2.84413 -126.02564 1077.81081
7380.0000 -133.94289 -126.47666 7.46623 2.80590 -126.59199 1080.73089
7385.0000 -133.91311 -126.62917 7.28393 2.81430 -126.46758 1118.65683
7390.0000 -134.38303 -126.88787 7.49516 2.72573 -127.77934 989.07182
7395.0000 -133.64552 -126.34913 7.29639 2.80294 -126.63574 1032.05163
7400.0000 -134.79463 -127.60911 7.18551 2.76972 -127.12784 1034.86349
7405.0000 -135.04586 -127.40748 7.63838 2.70628 -128.06741 990.29975
7410.0000 -134.09513 -127.41731 6.67783 2.76598 -127.18315 1039.37316
7415.0000 -135.32845 -128.16135 7.16710 2.76770 -127.15769 1047.63000
7420.0000 -135.76393 -128.49779 7.26613 2.71606 -127.92257 1015.66964
7425.0000 -135.60977 -127.62427 7.98550 2.68380 -128.40036 993.67704
7430.0000 -134.46063 -127.17980 7.28082 2.75095 -127.40580 997.62330
7435.0000 -136.74980 -129.18999 7.55982 2.68050 -128.44918 980.44278
7440.0000 -136.33211 -129.33222 6.99989 2.65112 -128.88441 948.23439
7445.0000 -136.21687 -128.73366 7.48321 2.56730 -130.12582 918.96107
7450.0000 -135.31774 -129.26603 6.05172 2.67246 -128.56836 985.75845
7455.0000 -134.38023 -127.95037 6.42986 2.67638 -128.51029 976.16538
7460.0000 -135.52289 -128.68065 6.84224 2.70644 -128.06497 965.57500
7465.0000 -135.79633 -128.54578 7.25054 2.72740 -127.75460 1013.42230
7470.0000 -134.88106 -127.54329 7.33777 2.70340 -128.11000 1002.57685
7475.0000 -136.26662 -128.92626 7.34036 2.73613 -127.62528 1030.20302
7480.0000 -134.89160 -129.09040 5.80120 2.66769 -128.63901 989.36044
7485.0000 -133.94392 -126.26199 7.68194 2.77961 -126.98129 1041.37044
7490.0000 -134.05682 -125.84215 8.21467 2.79859 -126.70019 1019.14699
7495.0000 -135.05311 -125.42571 9.62740 2.84264 -126.04776 1091.51393
7500.0000 -135.62521 -128.71799 6.90723 2.74364 -127.51408 999.02523
MELTING PROCESS: loop number 31 T-loop= 1070.0000000000000
main_MD> interactions number 31 at Temperature= 1070.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.76670 0.22914 -0.09406
force_rgl> df(natom) 1.60391 -0.74094 -2.62694
7505.0000 -136.00695 -129.88520 6.12175 2.64205 -129.01868 919.89570
7510.0000 -135.02500 -127.43583 7.58918 2.65034 -128.89590 950.49741
7515.0000 -134.04115 -126.05545 7.98570 2.85385 -125.88172 1089.90147
7520.0000 -134.15305 -126.36311 7.78994 2.81544 -126.45068 1073.02970
7525.0000 -130.70445 -123.67062 7.03383 2.89506 -125.27144 1117.32667
7530.0000 -133.18511 -124.59757 8.58755 2.96016 -124.30724 1197.52267
7535.0000 -135.09329 -126.97862 8.11466 2.86190 -125.76245 1098.26406
7540.0000 -135.91936 -128.38825 7.53111 2.69142 -128.28744 975.64320
7545.0000 -133.74041 -125.42285 8.31755 2.79175 -126.80151 1038.73722
7550.0000 -133.61348 -125.87636 7.73712 2.87091 -125.62909 1140.55554
7555.0000 -135.05546 -125.30290 9.75256 2.87882 -125.51198 1122.07688
7560.0000 -134.17063 -126.49280 7.67783 2.88721 -125.38772 1157.11024
7565.0000 -134.63593 -127.59091 7.04502 2.74269 -127.52806 1000.01759
7570.0000 -135.48589 -126.54853 8.93735 2.80314 -126.63278 1046.50871
7575.0000 -134.09902 -126.13512 7.96390 2.79482 -126.75597 1044.80621
7580.0000 -134.33367 -126.79740 7.53627 2.75099 -127.40521 1012.78144
7585.0000 -134.83034 -126.91307 7.91726 2.79775 -126.71265 1035.81287
7590.0000 -134.27470 -127.40088 6.87382 2.74725 -127.46064 994.40601
7595.0000 -135.38892 -127.63643 7.75249 2.74364 -127.51409 1034.84583
7600.0000 -135.41019 -126.66101 8.74918 2.79273 -126.78701 1070.28563
7605.0000 -135.77923 -127.86438 7.91484 2.83095 -126.22097 1050.52105
7610.0000 -134.86515 -126.80221 8.06294 2.71098 -127.99783 981.54861
7615.0000 -135.68131 -126.91088 8.77043 2.73294 -127.67252 1004.50457
7620.0000 -134.95658 -127.07438 7.88220 2.83955 -126.09351 1066.76586
7625.0000 -134.47038 -128.06372 6.40666 2.76129 -127.25263 1036.99905
7630.0000 -135.26915 -127.50402 7.76514 2.76534 -127.19269 1039.05126
7635.0000 -134.12275 -125.11912 9.00363 2.83083 -126.22270 1088.85643
7640.0000 -133.16025 -124.80179 8.35846 2.94931 -124.46785 1209.30584
7645.0000 -132.99727 -125.81030 7.18697 2.88030 -125.49000 1151.11061
7650.0000 -132.78562 -125.54346 7.24216 2.89343 -125.29546 1149.72334
7655.0000 -135.23985 -126.81825 8.42160 2.77960 -126.98141 1057.82060
7660.0000 -134.94737 -127.18730 7.76008 2.82432 -126.31912 1076.81630
7665.0000 -135.05234 -128.80796 6.24437 2.64871 -128.92009 958.36886
7670.0000 -135.50530 -126.77399 8.73131 2.66993 -128.60572 955.69246
7675.0000 -135.39750 -127.41953 7.97796 2.75196 -127.39079 1015.86515
7680.0000 -134.56859 -125.77270 8.79589 2.80755 -126.56746 1087.06261
7685.0000 -134.34570 -126.06351 8.28219 2.85490 -125.86613 1115.03086
7690.0000 -135.91160 -129.05465 6.85694 2.76119 -127.25411 1042.92933
7695.0000 -133.67904 -125.24336 8.43568 2.75998 -127.27208 1025.51772
7700.0000 -135.86516 -128.95845 6.90671 2.77552 -127.04187 1055.35654
7705.0000 -135.50642 -127.44950 8.05691 2.66913 -128.61758 981.66344
7710.0000 -133.42721 -125.38454 8.04267 2.75630 -127.32656 1015.52507
7715.0000 -135.45758 -127.59766 7.85992 2.77891 -126.99164 1057.59507
7720.0000 -134.77503 -127.63699 7.13804 2.74544 -127.48746 994.76406
7725.0000 -135.46832 -128.96505 6.50327 2.66971 -128.60903 944.14360
7730.0000 -134.27684 -126.94438 7.33246 2.68166 -128.43209 948.53325
7735.0000 -133.87386 -126.38924 7.48462 2.87061 -125.63350 1090.14479
7740.0000 -133.79338 -125.70718 8.08619 2.80775 -126.56451 1050.94723
7745.0000 -133.50672 -126.47300 7.03372 2.78254 -126.93794 1048.57821
7750.0000 -134.74811 -127.63888 7.10923 2.80150 -126.65714 1073.57138
MELTING PROCESS: loop number 32 T-loop= 1095.0000000000000
main_MD> interactions number 32 at Temperature= 1095.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.16364 1.32277 1.68789
force_rgl> df(natom) -2.15881 -1.60808 -1.80750
7755.0000 -135.50289 -129.40539 6.09750 2.67610 -128.51433 945.27029
7760.0000 -135.14486 -126.01537 9.12950 2.73075 -127.70490 991.20084
7765.0000 -136.72297 -128.20569 8.51727 2.76663 -127.17353 1078.10923
7770.0000 -135.30440 -126.16996 9.13445 2.76230 -127.23762 1065.83793
7775.0000 -133.23129 -124.85455 8.37675 2.87485 -125.57072 1114.67230
7780.0000 -132.41262 -122.21614 10.19649 2.98219 -123.98084 1206.16800
7785.0000 -132.13640 -122.84328 9.29311 3.14963 -121.50100 1322.23361
7790.0000 -133.00269 -123.05215 9.95054 3.02926 -123.28378 1195.57503
7795.0000 -132.85700 -125.06428 7.79272 2.97586 -124.07461 1172.61300
7800.0000 -134.56142 -127.36182 7.19960 2.87720 -125.53583 1095.02750
7805.0000 -134.33029 -125.87568 8.45461 2.80402 -126.61979 1032.62776
7810.0000 -132.98865 -125.01357 7.97508 2.79953 -126.68624 1041.05815
7815.0000 -135.45713 -126.57895 8.87818 2.77731 -127.01538 1041.95925
7820.0000 -132.37244 -124.36304 8.00940 2.84893 -125.95455 1091.10612
7825.0000 -134.09480 -124.73884 9.35596 2.99705 -123.76074 1188.24133
7830.0000 -134.30903 -125.72156 8.58747 2.93107 -124.73805 1110.01713
7835.0000 -134.40455 -124.95011 9.45444 2.91593 -124.96225 1162.48582
7840.0000 -134.02753 -126.91125 7.11627 2.82681 -126.28218 1038.72772
7845.0000 -133.65458 -125.31715 8.33743 2.81373 -126.47598 1086.31141
7850.0000 -132.15386 -124.48553 7.66833 2.89025 -125.34265 1119.24614
7855.0000 -133.88402 -125.58655 8.29747 2.89601 -125.25726 1107.23693
7860.0000 -134.53089 -126.80743 7.72347 2.85080 -125.92687 1099.45475
7865.0000 -134.21035 -126.39968 7.81066 2.81996 -126.38373 1072.33111
7870.0000 -133.14306 -124.84765 8.29540 2.89330 -125.29749 1154.49898
7875.0000 -133.52764 -125.91149 7.61615 2.82684 -126.28177 1073.84142
7880.0000 -133.01734 -125.00831 8.00903 2.87705 -125.53816 1135.39975
7885.0000 -132.44448 -124.74643 7.69806 2.91796 -124.93225 1085.45332
7890.0000 -132.29003 -124.09830 8.19173 2.90398 -125.13919 1104.78751
7895.0000 -133.80055 -125.62537 8.17518 2.95299 -124.41342 1130.96776
7900.0000 -133.83823 -126.29564 7.54259 2.82859 -126.25592 1078.78092
7905.0000 -134.17339 -124.45204 9.72135 2.91221 -125.01731 1115.57787
7910.0000 -132.14986 -123.90304 8.24682 2.93914 -124.61853 1191.67055
7915.0000 -133.25491 -125.62483 7.63008 2.94071 -124.59521 1140.37101
7920.0000 -132.72252 -124.39432 8.32820 2.95834 -124.33411 1173.10130
7925.0000 -134.33004 -126.10112 8.22892 2.84048 -126.07979 1066.42858
7930.0000 -133.75033 -125.83363 7.91670 2.82035 -126.37791 1093.58701
7935.0000 -135.12159 -127.11384 8.00774 2.76146 -127.25008 1048.49652
7940.0000 -133.78075 -126.28106 7.49969 2.80288 -126.63666 1057.74483
7945.0000 -133.72115 -126.66350 7.05764 2.84385 -126.02981 1119.14810
7950.0000 -133.48350 -125.68699 7.79651 2.82692 -126.28055 1065.38061
7955.0000 -135.22262 -126.23308 8.98954 2.89062 -125.33711 1145.27152
7960.0000 -134.43700 -126.24797 8.18904 2.80973 -126.53516 1106.73583
7965.0000 -133.47896 -125.18995 8.28900 2.92175 -124.87604 1152.20888
7970.0000 -134.02683 -124.99709 9.02974 2.89298 -125.30222 1135.62890
7975.0000 -134.35162 -126.21873 8.13289 2.87197 -125.61336 1119.78944
7980.0000 -133.17962 -124.08462 9.09499 2.87367 -125.58819 1124.76422
7985.0000 -133.70788 -124.84540 8.86248 2.96384 -124.25273 1151.05050
7990.0000 -135.47094 -127.34555 8.12539 2.80194 -126.65057 1026.07977
7995.0000 -134.89499 -126.43222 8.46278 2.77383 -127.06691 1025.09374
8000.0000 -134.17690 -125.39240 8.78451 2.79888 -126.69588 1050.97478
MELTING PROCESS: loop number 33 T-loop= 1120.0000000000000
main_MD> interactions number 33 at Temperature= 1120.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54880 -1.93219 0.59675
force_rgl> df(natom) 0.15261 -2.14259 1.53190
8005.0000 -135.35678 -125.22777 10.12902 2.93617 -124.66252 1146.58338
8010.0000 -133.70337 -126.42931 7.27406 2.84167 -126.06206 1108.33132
8015.0000 -133.80238 -124.09870 9.70368 2.89705 -125.24197 1130.12026
8020.0000 -133.95801 -126.18746 7.77055 2.99510 -123.78970 1195.61408
8025.0000 -133.35257 -125.82382 7.52875 2.85584 -125.85231 1106.31679
8030.0000 -136.48577 -129.00898 7.47679 2.77279 -127.08225 1063.54561
8035.0000 -133.21136 -125.95074 7.26063 2.82574 -126.29802 1072.01580
8040.0000 -136.15122 -129.32362 6.82760 2.77550 -127.04225 1028.38504
8045.0000 -132.83117 -125.78179 7.04938 2.78023 -126.97211 1022.48604
8050.0000 -132.80773 -124.95964 7.84809 2.95473 -124.38759 1121.97701
8055.0000 -132.62942 -124.15769 8.47173 2.94913 -124.47059 1200.32937
8060.0000 -132.30272 -124.06944 8.23328 2.95100 -124.44293 1170.74557
8065.0000 -132.83146 -126.05967 6.77179 2.94166 -124.58121 1146.62514
8070.0000 -135.38558 -127.71345 7.67213 2.77789 -127.00671 1031.62292
8075.0000 -132.75056 -125.65825 7.09231 2.81637 -126.43678 1082.20039
8080.0000 -135.10235 -127.48628 7.61607 2.82026 -126.37921 1076.77145
8085.0000 -134.57190 -126.92627 7.64563 2.76291 -127.22868 1008.71805
8090.0000 -134.31070 -126.19065 8.12004 2.77456 -127.05612 1043.75378
8095.0000 -131.68362 -123.61549 8.06813 2.91036 -125.04473 1126.32023
8100.0000 -132.34018 -122.22182 10.11836 2.98096 -123.99911 1198.32196
8105.0000 -131.54835 -121.65691 9.89144 3.08912 -122.39723 1239.47658
8110.0000 -130.67453 -122.25293 8.42160 3.15096 -121.48128 1280.18095
8115.0000 -133.21134 -124.24991 8.96142 3.04869 -122.99603 1232.38206
8120.0000 -132.51404 -123.59906 8.91498 2.99536 -123.78591 1180.60036
8125.0000 -133.41601 -124.92763 8.48838 2.98673 -123.91371 1171.91851
8130.0000 -133.15336 -125.09328 8.06009 2.94119 -124.58811 1187.02982
8135.0000 -133.22784 -125.79961 7.42823 2.95369 -124.40297 1192.27714
8140.0000 -136.96724 -127.90575 9.06149 2.75323 -127.37199 1063.05840
8145.0000 -135.58464 -128.44542 7.13922 2.75956 -127.27831 1027.15822
8150.0000 -133.23813 -126.86240 6.37572 2.71891 -127.88029 992.03465
8155.0000 -133.70970 -124.90609 8.80361 2.79912 -126.69237 1060.64962
8160.0000 -132.58758 -125.88271 6.70488 2.87639 -125.54789 1104.10004
8165.0000 -133.93419 -125.34968 8.58451 2.87513 -125.56656 1135.01364
8170.0000 -134.76060 -127.69985 7.06075 2.81969 -126.38768 1060.72055
8175.0000 -134.82422 -126.89479 7.92943 2.78605 -126.88594 1060.74095
8180.0000 -133.44347 -124.56182 8.88165 2.86734 -125.68189 1096.28490
8185.0000 -134.00699 -125.02633 8.98067 2.91075 -125.03902 1115.47702
8190.0000 -134.32999 -127.52143 6.80856 2.77423 -127.06096 1058.91813
8195.0000 -133.71027 -127.16379 6.54648 2.75682 -127.31877 1017.36787
8200.0000 -135.88040 -128.55916 7.32124 2.68920 -128.32032 958.60846
8205.0000 -134.02811 -124.80241 9.22570 2.84332 -126.03771 1089.31703
8210.0000 -131.74783 -123.72760 8.02022 2.97949 -124.02082 1219.21285
8215.0000 -132.59935 -122.25532 10.34403 2.92551 -124.82033 1160.16594
8220.0000 -133.61566 -125.08018 8.53548 2.97116 -124.14420 1192.11411
8225.0000 -131.99646 -122.85423 9.14224 2.92999 -124.75399 1162.17270
8230.0000 -132.46730 -124.87068 7.59662 3.10026 -122.23223 1232.77865
8235.0000 -132.01221 -122.07506 9.93715 2.98051 -124.00581 1194.41787
8240.0000 -131.14917 -122.31672 8.83245 3.14401 -121.58414 1282.67577
8245.0000 -133.38969 -124.77245 8.61724 2.99424 -123.80238 1132.29272
8250.0000 -132.57592 -124.53660 8.03932 2.95295 -124.41402 1157.94077
MELTING PROCESS: loop number 34 T-loop= 1145.0000000000000
main_MD> interactions number 34 at Temperature= 1145.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63238 -3.96884 10.27571
force_rgl> df(natom) 2.31475 -0.80698 0.03438
8255.0000 -131.27813 -123.17929 8.09884 2.98026 -124.00950 1164.87115
8260.0000 -134.14868 -125.50094 8.64774 2.91629 -124.95694 1108.28212
8265.0000 -134.16810 -126.87306 7.29504 2.84221 -126.05414 1088.38130
8270.0000 -132.45510 -122.80827 9.64684 2.88334 -125.44499 1144.45859
8275.0000 -133.92255 -123.94915 9.97340 2.97950 -124.02069 1240.22269
8280.0000 -133.94323 -125.68502 8.25822 2.97219 -124.12908 1180.04865
8285.0000 -134.46866 -125.10312 9.36553 2.91223 -125.01702 1139.73648
8290.0000 -134.28418 -126.48240 7.80178 2.82574 -126.29810 1098.15169
8295.0000 -131.59299 -122.82014 8.77285 2.87142 -125.62151 1148.81443
8300.0000 -131.21573 -123.96116 7.25457 3.03646 -123.17705 1205.39835
8305.0000 -133.38854 -124.40254 8.98599 3.01239 -123.53368 1204.19968
8310.0000 -131.18751 -122.51717 8.67034 3.04210 -123.09358 1204.46485
8315.0000 -130.15936 -121.57256 8.58680 3.08021 -122.52914 1290.99890
8320.0000 -134.45449 -124.39607 10.05842 2.99567 -123.78125 1190.85610
8325.0000 -133.28379 -123.27031 10.01348 2.96766 -124.19617 1175.45248
8330.0000 -131.93743 -124.08701 7.85042 2.98756 -123.90132 1201.38565
8335.0000 -131.62370 -123.16546 8.45824 3.00795 -123.59939 1182.26863
8340.0000 -133.93246 -125.20017 8.73228 3.00400 -123.65793 1251.41767
8345.0000 -132.49349 -124.20160 8.29189 2.92101 -124.88708 1103.90868
8350.0000 -134.81972 -124.98211 9.83762 2.93387 -124.69663 1141.27760
8355.0000 -134.19207 -124.63396 9.55811 2.90710 -125.09311 1144.96444
8360.0000 -134.32673 -126.98839 7.33834 2.86934 -125.65232 1123.71150
8365.0000 -133.37839 -124.49842 8.87996 2.88684 -125.39318 1137.07476
8370.0000 -132.88784 -125.43420 7.45364 2.88986 -125.34847 1129.13479
8375.0000 -133.84294 -124.62083 9.22211 2.91637 -124.95575 1122.02419
8380.0000 -133.16639 -124.12340 9.04299 2.94503 -124.53129 1148.92347
8385.0000 -132.51293 -124.32734 8.18560 3.00167 -123.69243 1153.20660
8390.0000 -134.34481 -126.95979 7.38502 2.91318 -125.00302 1094.13008
8395.0000 -131.02475 -121.48504 9.53971 2.96333 -124.26031 1151.30160
8400.0000 -131.39015 -122.41604 8.97410 3.07763 -122.56740 1249.30157
8405.0000 -135.09612 -125.91303 9.18308 3.00275 -123.67640 1228.51557
8410.0000 -131.92946 -123.51745 8.41200 2.91377 -124.99431 1157.06470
8415.0000 -134.35310 -126.07623 8.27688 2.90310 -125.15236 1120.26519
8420.0000 -134.22512 -125.10338 9.12173 2.90657 -125.10097 1122.68500
8425.0000 -133.91184 -124.71809 9.19375 2.98585 -123.92663 1180.74956
8430.0000 -133.07418 -122.53175 10.54243 2.96502 -124.23518 1157.93534
8435.0000 -131.76121 -123.44322 8.31800 2.97301 -124.11681 1190.50194
8440.0000 -132.72282 -123.89382 8.82900 3.00383 -123.66041 1194.60647
8445.0000 -130.57165 -122.08473 8.48692 2.96442 -124.24411 1176.46458
8450.0000 -133.26350 -123.71795 9.54556 2.94105 -124.59025 1138.93788
8455.0000 -134.22281 -125.83787 8.38494 2.87136 -125.62238 1078.18873
8460.0000 -135.28580 -125.69116 9.59464 2.84274 -126.04635 1080.09268
8465.0000 -133.28126 -125.05173 8.22952 2.90636 -125.10395 1121.02638
8470.0000 -132.33104 -123.63340 8.69763 2.95850 -124.33179 1158.49655
8475.0000 -132.85860 -123.55632 9.30228 2.98580 -123.92745 1170.31099
8480.0000 -132.17481 -122.92346 9.25135 3.00301 -123.67247 1214.67083
8485.0000 -131.76596 -121.05436 10.71161 3.06719 -122.72190 1266.18841
8490.0000 -132.59029 -123.89950 8.69079 3.08822 -122.41044 1250.06676
8495.0000 -134.34169 -125.16467 9.17702 2.94770 -124.49172 1179.33824
8500.0000 -134.40551 -125.26664 9.13887 2.87551 -125.56087 1079.04587
MELTING PROCESS: loop number 35 T-loop= 1170.0000000000000
main_MD> interactions number 35 at Temperature= 1170.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.50485 -0.80136 -0.66222
force_rgl> df(natom) 3.64491 -1.24894 3.32409
8505.0000 -131.30516 -121.50211 9.80305 2.96770 -124.19555 1185.18784
8510.0000 -131.58142 -122.16695 9.41447 3.18011 -121.04954 1363.26302
8515.0000 -132.01186 -123.29343 8.71843 3.07326 -122.63208 1244.53068
8520.0000 -134.05050 -125.76728 8.28323 2.96672 -124.21005 1216.88059
8525.0000 -131.61039 -123.71017 7.90022 2.90194 -125.16953 1156.75788
8530.0000 -132.29529 -123.00667 9.28862 3.06950 -122.68770 1291.38785
8535.0000 -132.05636 -123.81284 8.24352 3.04144 -123.10332 1224.19848
8540.0000 -134.31052 -123.62296 10.68756 3.03842 -123.14811 1226.11222
8545.0000 -134.07706 -125.11032 8.96674 2.95279 -124.41641 1176.91623
8550.0000 -134.94183 -126.58921 8.35262 2.86769 -125.67668 1132.74207
8555.0000 -134.54139 -126.75134 7.79005 2.85966 -125.79572 1121.13206
8560.0000 -134.22314 -125.11894 9.10420 2.87412 -125.58148 1122.78884
8565.0000 -133.92341 -125.39324 8.53017 2.86497 -125.71698 1109.28991
8570.0000 -133.83012 -124.77532 9.05479 2.93137 -124.73364 1163.14260
8575.0000 -131.07406 -121.85773 9.21633 2.99079 -123.85353 1208.73391
8580.0000 -133.70271 -125.12543 8.57728 3.01961 -123.42661 1258.57591
8585.0000 -132.84143 -124.82504 8.01639 2.92593 -124.81412 1130.54634
8590.0000 -132.66792 -123.81705 8.85087 3.01870 -123.44019 1248.87242
8595.0000 -133.76695 -125.04119 8.72576 2.99965 -123.72228 1195.95063
8600.0000 -132.77350 -124.13347 8.64002 2.91608 -124.96009 1136.66290
8605.0000 -133.38102 -123.99915 9.38187 3.04830 -123.00177 1226.51853
8610.0000 -132.76137 -124.03599 8.72538 2.95260 -124.41911 1169.67768
8615.0000 -132.39013 -124.32389 8.06623 3.00730 -123.60904 1203.76055
8620.0000 -132.88736 -124.91410 7.97325 2.89976 -125.20182 1124.91919
8625.0000 -132.50897 -124.81077 7.69820 2.95593 -124.36988 1164.45017
8630.0000 -133.83496 -125.14889 8.68608 2.94159 -124.58227 1165.85408
8635.0000 -133.15615 -126.16442 6.99173 2.87555 -125.56031 1127.78304
8640.0000 -132.56571 -124.52660 8.03912 2.79726 -126.71987 1066.11552
8645.0000 -131.54375 -122.57976 8.96399 3.01938 -123.43003 1239.22492
8650.0000 -133.05980 -125.83832 7.22148 2.88389 -125.43678 1075.71516
8655.0000 -132.94559 -125.67468 7.27091 2.84401 -126.02752 1083.41847
8660.0000 -132.65612 -124.79700 7.85912 2.90872 -125.06913 1124.01727
8665.0000 -133.73292 -126.03222 7.70070 2.85437 -125.87399 1059.01413
8670.0000 -132.87313 -124.76001 8.11311 2.91080 -125.03822 1137.53604
8675.0000 -132.14880 -124.27998 7.86883 2.92397 -124.84322 1119.00977
8680.0000 -133.89685 -125.65355 8.24330 2.93653 -124.65716 1141.24700
8685.0000 -133.39271 -125.27482 8.11789 2.83022 -126.23166 1079.67671
8690.0000 -132.32616 -123.40368 8.92248 2.99205 -123.83490 1164.56315
8695.0000 -133.61383 -123.63384 9.97999 3.05530 -122.89802 1243.43625
8700.0000 -131.84996 -122.33818 9.51178 3.01844 -123.44406 1233.21983
8705.0000 -132.22648 -124.80814 7.41834 3.00481 -123.64593 1212.61701
8710.0000 -135.62063 -126.07811 9.54252 2.91279 -125.00876 1110.58404
8715.0000 -132.67096 -124.26514 8.40582 2.88004 -125.49390 1074.88705
8720.0000 -132.52150 -122.54429 9.97721 2.93528 -124.67566 1218.95504
8725.0000 -134.71362 -125.43255 9.28107 3.02317 -123.37397 1198.61778
8730.0000 -133.48962 -125.19102 8.29860 2.90157 -125.17501 1157.45501
8735.0000 -133.03769 -125.86355 7.17414 2.92231 -124.86782 1152.65074
8740.0000 -132.50618 -123.75355 8.75263 2.89683 -125.24509 1161.48960
8745.0000 -134.67128 -126.30433 8.36695 2.86507 -125.71556 1124.95688
8750.0000 -133.16402 -124.94578 8.21825 2.84476 -126.01637 1093.86609
MELTING PROCESS: loop number 36 T-loop= 1195.0000000000000
main_MD> interactions number 36 at Temperature= 1195.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.33143 -3.99672 -0.69249
force_rgl> df(natom) 2.61220 -1.79142 0.65097
8755.0000 -131.88763 -124.48441 7.40323 2.94792 -124.48847 1135.97752
8760.0000 -133.04670 -124.23797 8.80873 3.02053 -123.41301 1217.17154
8765.0000 -133.72459 -122.40754 11.31705 2.97352 -124.10929 1202.74556
8770.0000 -132.93976 -122.77994 10.15982 3.02734 -123.31223 1194.50915
8775.0000 -133.56905 -126.15021 7.41885 2.97439 -124.09647 1191.28121
8780.0000 -132.77048 -124.23167 8.53880 2.87839 -125.51828 1134.05553
8785.0000 -132.72962 -124.04352 8.68610 2.99653 -123.76857 1238.31478
8790.0000 -132.20027 -125.05463 7.14564 3.02067 -123.41090 1229.54724
8795.0000 -133.09806 -124.79875 8.29931 2.96913 -124.17429 1204.22801
8800.0000 -132.76876 -125.07715 7.69161 2.87900 -125.50932 1102.32676
8805.0000 -133.34702 -125.43455 7.91247 2.88924 -125.35759 1115.21797
8810.0000 -136.04904 -125.83851 10.21053 2.92924 -124.76518 1149.14390
8815.0000 -135.78898 -126.99171 8.79726 2.82621 -126.29117 1090.68480
8820.0000 -135.04262 -126.16801 8.87461 2.83416 -126.17343 1078.84056
8825.0000 -135.71077 -126.96188 8.74889 2.81868 -126.40260 1072.37472
8830.0000 -133.83725 -126.34916 7.48809 2.83368 -126.18046 1094.61225
8835.0000 -132.26763 -122.52063 9.74700 2.99743 -123.75521 1222.68376
8840.0000 -130.93416 -121.65428 9.27989 3.17406 -121.13909 1344.92450
8845.0000 -132.76467 -122.92734 9.83733 3.15261 -121.45685 1294.08937
8850.0000 -134.02505 -123.17176 10.85329 3.02232 -123.38655 1220.89167
8855.0000 -133.90670 -125.57256 8.33414 2.89950 -125.20560 1132.52167
8860.0000 -134.72189 -126.03899 8.68291 2.87683 -125.54140 1089.08479
8865.0000 -133.43779 -124.01294 9.42485 2.91103 -125.03482 1120.77211
8870.0000 -132.98507 -123.32501 9.66006 3.09513 -122.30818 1299.21100
8875.0000 -132.54120 -121.53333 11.00787 3.05409 -122.91594 1279.62029
8880.0000 -130.14735 -120.23246 9.91490 3.19734 -120.79426 1345.20891
8885.0000 -130.48212 -120.40897 10.07316 3.17639 -121.10461 1325.49942
8890.0000 -131.21693 -121.46868 9.74825 3.13947 -121.65141 1337.80247
8895.0000 -132.47420 -123.11511 9.35909 3.09964 -122.24142 1241.66472
8900.0000 -131.27902 -121.07848 10.20055 3.19836 -120.77921 1343.00862
8905.0000 -133.38077 -123.06003 10.32075 3.08941 -122.39285 1281.54153
8910.0000 -133.24082 -124.50942 8.73139 2.96703 -124.20544 1193.59629
8915.0000 -133.18629 -123.50516 9.68113 3.07239 -122.64491 1283.54822
8920.0000 -132.08142 -124.71301 7.36841 2.97582 -124.07527 1154.60155
8925.0000 -134.04275 -124.97263 9.07012 2.93412 -124.69288 1162.68687
8930.0000 -134.40441 -125.31920 9.08520 2.96340 -124.25921 1173.22317
8935.0000 -131.95968 -125.05916 6.90053 2.89520 -125.26924 1106.01929
8940.0000 -134.13417 -124.05093 10.08325 2.93925 -124.61684 1154.37123
8945.0000 -132.50224 -124.88772 7.61451 2.90918 -125.06223 1114.52883
8950.0000 -132.62382 -123.91157 8.71225 2.94115 -124.58869 1212.09670
8955.0000 -133.47403 -124.42088 9.05315 2.90782 -125.08233 1139.99952
8960.0000 -133.89697 -125.09731 8.79966 2.85436 -125.87414 1103.13412
8965.0000 -130.89904 -122.69563 8.20342 2.95549 -124.37633 1174.95872
8970.0000 -135.18677 -126.42106 8.76572 2.97458 -124.09362 1164.59819
8975.0000 -132.83857 -124.63306 8.20551 2.90160 -125.17458 1138.14596
8980.0000 -131.22096 -124.58376 6.63720 2.96262 -124.27075 1150.75960
8985.0000 -131.66846 -122.36205 9.30642 3.02137 -123.40064 1242.68838
8990.0000 -131.28531 -123.07441 8.21090 3.03869 -123.14413 1253.97403
8995.0000 -131.90295 -122.70818 9.19477 3.05749 -122.86559 1235.86176
9000.0000 -133.84540 -124.79117 9.05423 3.03163 -123.24870 1230.72805
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 11 [min], 44.6045997 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink