tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_2451/meltingSims/run_82/melt.log

1979 lines
195 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: melting
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoMelt_82.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 = 82 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1750
main_MD> Size of nv and nvoiz: 82 8200
main_MD> Size of nv and nvoiz: 82 8200
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 = 82
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> 9.4443659336075486E-002 -4.8591266014613534E-002 -0.12732562697764982 initial drift of cluster / NP1 for coalescence
init> 0.34321963616378787 0.35388739044479933 0.32636786861116129 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.9025121427822937E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.77683 -1.46082 3.37215
force_rgl> df(natom) -1.08406 -1.27527 -0.53477
preparo> THERMALIZATION PROCESS AT 314.57751291380032
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -206.46447696223785 3.8175290298121611 -210.28200599205002 3.9619099083086846E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for melting
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 35
MELTING PROCESS: loop number 1 T-loop= 339.00000000000000
main_MD> interactions number 1 at Temperature= 339.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.17509 1.78951 2.47076
force_rgl> df(natom) -0.83865 -1.78437 -1.03194
5.0000 -210.79871 -207.40786 3.39085 1.85015 -206.97924 344.71795
10.0000 -211.46613 -207.69342 3.77271 1.80856 -207.76434 310.01834
15.0000 -211.12268 -207.56966 3.55302 1.82439 -207.46545 322.49675
20.0000 -211.08346 -207.61980 3.46366 1.82426 -207.46788 326.16439
25.0000 -210.77074 -207.51488 3.25585 1.83664 -207.23438 336.49548
30.0000 -210.45553 -206.66113 3.79440 1.84389 -207.09742 341.58183
35.0000 -210.51372 -206.73998 3.77374 1.87712 -206.47029 366.20695
40.0000 -210.81128 -207.30298 3.50830 1.84723 -207.03449 345.97842
45.0000 -210.27658 -206.49798 3.77860 1.84324 -207.10966 339.48060
50.0000 -211.14377 -207.44424 3.69953 1.84520 -207.07279 343.39358
55.0000 -209.86577 -206.59778 3.26798 1.84515 -207.07364 344.57886
60.0000 -210.37244 -206.98770 3.38475 1.88941 -206.23838 376.08399
65.0000 -210.77699 -207.33066 3.44633 1.82636 -207.42830 327.14069
70.0000 -210.70453 -207.18909 3.51544 1.83071 -207.34627 329.09067
75.0000 -210.40383 -207.43108 2.97275 1.82244 -207.50230 322.72502
80.0000 -210.17564 -206.37669 3.79896 1.84747 -207.02988 344.21306
85.0000 -210.59795 -207.03416 3.56379 1.86961 -206.61200 362.92596
90.0000 -210.20938 -206.87919 3.33019 1.82745 -207.40767 328.86640
95.0000 -210.32614 -206.02296 4.30318 1.87724 -206.46796 369.29911
100.0000 -210.81921 -206.62688 4.19233 1.89187 -206.19189 382.23184
105.0000 -210.36221 -206.65078 3.71144 1.86321 -206.73279 353.75988
110.0000 -210.72277 -207.08236 3.64041 1.86418 -206.71455 357.61965
115.0000 -211.45576 -208.07570 3.38006 1.81848 -207.57715 320.19693
120.0000 -211.22488 -207.33824 3.88664 1.81833 -207.57991 320.94995
125.0000 -210.86296 -207.37992 3.48305 1.82213 -207.50808 322.27839
130.0000 -210.47082 -207.20129 3.26953 1.84780 -207.02367 344.84955
135.0000 -209.77563 -206.56655 3.20908 1.86034 -206.78693 352.80452
140.0000 -210.16432 -207.02593 3.13839 1.86672 -206.66648 353.70878
145.0000 -210.98534 -207.87351 3.11183 1.85160 -206.95195 348.37391
150.0000 -210.83320 -207.23821 3.59498 1.82732 -207.41013 327.50571
155.0000 -210.42044 -206.60396 3.81648 1.84144 -207.14363 340.79842
160.0000 -210.46228 -206.97113 3.49116 1.85991 -206.79511 356.15704
165.0000 -210.82329 -207.50863 3.31466 1.84415 -207.09257 338.97128
170.0000 -211.59889 -207.79107 3.80781 1.81839 -207.57875 320.29237
175.0000 -209.97804 -206.52956 3.44848 1.83758 -207.21648 335.25321
180.0000 -210.04634 -206.75750 3.28884 1.86722 -206.65710 356.95286
185.0000 -210.55024 -206.80845 3.74179 1.86335 -206.73018 357.32628
190.0000 -211.20430 -207.74680 3.45750 1.83846 -207.20002 339.17898
195.0000 -210.68863 -207.85942 2.82921 1.79948 -207.93569 303.57890
200.0000 -211.01189 -207.89760 3.11429 1.80767 -207.78115 311.36022
205.0000 -210.70092 -207.50331 3.19761 1.82647 -207.42622 327.28815
210.0000 -211.11083 -207.13447 3.97635 1.84085 -207.15491 340.13958
215.0000 -210.59111 -206.96374 3.62738 1.85522 -206.88356 351.40569
220.0000 -209.77737 -206.55374 3.22363 1.85137 -206.95631 349.51425
225.0000 -210.71866 -207.34098 3.37769 1.85173 -206.94948 346.83097
230.0000 -210.50080 -206.71109 3.78972 1.84569 -207.06350 346.59092
235.0000 -210.12305 -206.76739 3.35566 1.88032 -206.40979 370.62693
240.0000 -210.69072 -207.71385 2.97686 1.83614 -207.24376 336.78813
245.0000 -210.18127 -206.66490 3.51636 1.85928 -206.80692 360.34899
250.0000 -210.39948 -206.93771 3.46177 1.85914 -206.80963 356.66290
MELTING PROCESS: loop number 2 T-loop= 364.00000000000000
main_MD> interactions number 2 at Temperature= 364.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46482 -0.70092 -2.39548
force_rgl> df(natom) 0.49146 -0.67955 0.96849
255.0000 -210.13326 -206.68754 3.44572 1.88165 -206.38483 373.38715
260.0000 -210.40421 -206.28638 4.11783 1.87497 -206.51079 368.74259
265.0000 -210.27557 -206.64423 3.63134 1.88912 -206.24370 380.14185
270.0000 -209.95489 -206.08465 3.87024 1.87503 -206.50978 367.77914
275.0000 -209.79162 -205.61403 4.17759 1.90835 -205.88090 392.09489
280.0000 -210.22537 -207.00518 3.22019 1.89116 -206.20533 372.62971
285.0000 -210.24999 -205.99693 4.25306 1.87535 -206.50368 362.40250
290.0000 -210.26906 -206.65571 3.61335 1.87432 -206.52305 363.00984
295.0000 -210.70402 -207.03099 3.67303 1.85857 -206.82030 348.43066
300.0000 -210.66397 -206.72912 3.93485 1.85962 -206.80048 353.79073
305.0000 -209.92893 -205.67827 4.25066 1.87993 -206.41716 372.68665
310.0000 -210.90554 -206.90651 3.99903 1.89105 -206.20729 370.37506
315.0000 -210.77807 -207.53061 3.24746 1.84341 -207.10656 353.14884
320.0000 -210.17965 -206.40977 3.76988 1.83890 -207.19161 350.88955
325.0000 -211.34574 -207.78134 3.56440 1.81449 -207.65235 331.36918
330.0000 -211.21007 -207.11780 4.09226 1.84295 -207.11511 353.53447
335.0000 -210.21716 -206.83456 3.38259 1.86931 -206.61763 374.60327
340.0000 -210.54455 -206.67532 3.86922 1.84781 -207.02349 357.70015
345.0000 -210.45749 -206.59040 3.86709 1.88323 -206.35490 388.25626
350.0000 -210.65899 -206.21696 4.44204 1.88502 -206.32110 388.77991
355.0000 -211.33751 -207.96139 3.37612 1.83912 -207.18752 349.95602
360.0000 -211.12335 -207.06955 4.05380 1.83105 -207.33988 342.56019
365.0000 -210.59421 -206.45713 4.13707 1.87994 -206.41705 380.66540
370.0000 -210.89865 -206.74640 4.15224 1.88015 -206.41313 383.65960
375.0000 -210.67126 -206.55541 4.11585 1.84937 -206.99402 359.59672
380.0000 -210.78261 -206.50735 4.27526 1.87111 -206.58370 374.58673
385.0000 -211.15905 -207.80467 3.35438 1.83251 -207.31227 345.82736
390.0000 -210.19457 -206.24477 3.94979 1.85403 -206.90605 364.01187
395.0000 -210.36028 -206.30541 4.05487 1.86478 -206.70309 367.14632
400.0000 -210.52635 -207.22392 3.30243 1.87385 -206.53198 378.86179
405.0000 -210.82737 -207.07131 3.75605 1.83121 -207.33687 344.07708
410.0000 -210.79691 -207.34417 3.45274 1.84776 -207.02434 355.12358
415.0000 -211.56989 -207.20030 4.36959 1.84944 -206.99263 359.21712
420.0000 -210.67095 -207.25706 3.41389 1.82890 -207.38036 341.22551
425.0000 -210.54920 -207.44947 3.09973 1.83450 -207.27475 346.05772
430.0000 -211.71222 -208.36698 3.34524 1.82508 -207.45242 337.12097
435.0000 -210.39449 -206.84050 3.55399 1.81846 -207.57736 334.71347
440.0000 -210.71870 -207.02083 3.69788 1.85527 -206.88276 364.66021
445.0000 -210.58267 -207.25451 3.32816 1.83693 -207.22880 349.08010
450.0000 -211.12090 -207.31284 3.80806 1.82427 -207.46777 336.16817
455.0000 -210.73848 -206.53215 4.20633 1.85624 -206.86438 369.56917
460.0000 -211.24521 -206.93984 4.30538 1.85987 -206.79582 369.13156
465.0000 -210.49069 -206.82320 3.66749 1.85119 -206.95973 360.24007
470.0000 -210.50367 -206.56578 3.93789 1.88334 -206.35293 387.91378
475.0000 -210.82585 -207.07577 3.75008 1.83771 -207.21418 349.10330
480.0000 -211.29132 -207.60455 3.68677 1.82806 -207.39620 342.63722
485.0000 -211.11679 -207.19279 3.92401 1.83751 -207.21796 356.22296
490.0000 -211.36252 -207.70711 3.65541 1.83041 -207.35183 342.30644
495.0000 -210.90091 -206.60097 4.29993 1.83707 -207.22612 353.01858
500.0000 -210.98629 -206.78406 4.20223 1.86101 -206.77432 371.71056
MELTING PROCESS: loop number 3 T-loop= 389.00000000000000
main_MD> interactions number 3 at Temperature= 389.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.20431 -1.00487 0.91195
force_rgl> df(natom) -0.09095 0.98889 -0.07612
505.0000 -210.21598 -206.50685 3.70913 1.85566 -206.87529 362.98784
510.0000 -210.07630 -206.29620 3.78010 1.89737 -206.08807 393.70595
515.0000 -209.70863 -205.52356 4.18507 1.91037 -205.84274 410.41103
520.0000 -210.26125 -205.92902 4.33223 1.92581 -205.55122 416.79432
525.0000 -210.54062 -206.47738 4.06324 1.85543 -206.87960 364.53286
530.0000 -209.96431 -205.96968 3.99463 1.89984 -206.04152 403.73817
535.0000 -210.56480 -206.75604 3.80876 1.85611 -206.86678 367.63006
540.0000 -211.16022 -206.60515 4.55507 1.84452 -207.08556 356.61362
545.0000 -210.68534 -206.54822 4.13712 1.88384 -206.34342 389.66511
550.0000 -210.35518 -205.98207 4.37312 1.90858 -205.87644 405.53944
555.0000 -210.27770 -206.04349 4.23421 1.89937 -206.05022 397.04778
560.0000 -210.08216 -204.68882 5.39334 1.92673 -205.53390 412.78162
565.0000 -210.29080 -206.10935 4.18145 1.93453 -205.38675 426.25671
570.0000 -210.39521 -206.36009 4.03512 1.88531 -206.31570 390.13183
575.0000 -210.78897 -206.81329 3.97568 1.85876 -206.81687 368.39988
580.0000 -210.34715 -206.58962 3.75754 1.86845 -206.63385 372.58159
585.0000 -210.58147 -206.89719 3.68428 1.85764 -206.83793 365.39362
590.0000 -210.81455 -206.43444 4.38012 1.86580 -206.68389 372.35625
595.0000 -210.44406 -206.68976 3.75430 1.87980 -206.41976 381.24954
600.0000 -210.60794 -206.39781 4.21013 1.88599 -206.30289 384.80021
605.0000 -209.80206 -206.00497 3.79709 1.90346 -205.97313 402.74627
610.0000 -210.18636 -206.04897 4.13739 1.91124 -205.82625 408.00456
615.0000 -209.11878 -204.98982 4.12896 1.90544 -205.93572 403.21457
620.0000 -210.69720 -206.66609 4.03111 1.90886 -205.87120 406.03948
625.0000 -209.90617 -206.30897 3.59720 1.87939 -206.42745 382.06242
630.0000 -209.89864 -205.87657 4.02207 1.91475 -205.76001 409.58184
635.0000 -210.68447 -206.40201 4.28246 1.87022 -206.60041 376.39072
640.0000 -210.44571 -206.01776 4.42795 1.91191 -205.81360 403.48090
645.0000 -209.83157 -205.30814 4.52344 1.93229 -205.42894 424.16300
650.0000 -209.66762 -205.30882 4.35879 1.90483 -205.94734 399.92817
655.0000 -210.45062 -205.85893 4.59169 1.90840 -205.87984 405.28976
660.0000 -210.16267 -205.78804 4.37463 1.91915 -205.67701 413.31147
665.0000 -210.77899 -206.76469 4.01430 1.86409 -206.71626 369.44759
670.0000 -210.70610 -206.75043 3.95567 1.86825 -206.63767 380.69221
675.0000 -210.23195 -205.88018 4.35177 1.88864 -206.25276 394.20210
680.0000 -210.01260 -205.00375 5.00885 1.95034 -205.08818 435.58099
685.0000 -209.74898 -205.94176 3.80722 1.93322 -205.41133 425.90453
690.0000 -209.92303 -205.63353 4.28951 1.90707 -205.90497 405.82819
695.0000 -210.76198 -205.90959 4.85239 1.90120 -206.01585 392.91914
700.0000 -210.40992 -206.07937 4.33056 1.89410 -206.14982 399.49919
705.0000 -210.63548 -206.47690 4.15858 1.87522 -206.50618 381.92628
710.0000 -210.67660 -207.03021 3.64639 1.85390 -206.90851 364.40213
715.0000 -211.23188 -207.21385 4.01804 1.83594 -207.24748 348.49703
720.0000 -210.91392 -207.58064 3.33328 1.81536 -207.63600 332.30324
725.0000 -211.18324 -207.18212 4.00112 1.82963 -207.36655 340.32383
730.0000 -210.91360 -206.50898 4.40462 1.85820 -206.82742 365.78852
735.0000 -210.52131 -206.55344 3.96787 1.85079 -206.96719 359.85772
740.0000 -210.87018 -206.94173 3.92845 1.86369 -206.72377 369.60821
745.0000 -209.66520 -205.60440 4.06080 1.89645 -206.10542 394.91293
750.0000 -209.67619 -205.31215 4.36404 1.92921 -205.48714 414.76437
MELTING PROCESS: loop number 4 T-loop= 414.00000000000000
main_MD> interactions number 4 at Temperature= 414.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11651 1.08044 3.59250
force_rgl> df(natom) 0.75704 0.91609 0.37035
755.0000 -209.22227 -205.22001 4.00226 1.92509 -205.56489 416.15342
760.0000 -210.59405 -205.87770 4.71635 1.92548 -205.55748 424.38229
765.0000 -210.19070 -206.26256 3.92814 1.89247 -206.18046 392.21457
770.0000 -209.87398 -205.60323 4.27075 1.92900 -205.49102 425.47720
775.0000 -209.44814 -205.14581 4.30233 1.93003 -205.47156 425.27776
780.0000 -209.13202 -204.99078 4.14124 1.94479 -205.19297 435.41150
785.0000 -209.44911 -204.49195 4.95716 1.95896 -204.92560 447.01961
790.0000 -210.04942 -205.48656 4.56286 1.95753 -204.95255 441.45218
795.0000 -210.30476 -205.75862 4.54615 1.93639 -205.35155 427.84474
800.0000 -210.24260 -206.13385 4.10875 1.90166 -206.00715 401.27091
805.0000 -210.13440 -206.03738 4.09702 1.89163 -206.19639 394.60811
810.0000 -209.82979 -206.35928 3.47051 1.90054 -206.02820 399.28202
815.0000 -209.92670 -205.31692 4.60978 1.91181 -205.81550 413.45103
820.0000 -210.10649 -206.50031 3.60618 1.91106 -205.82965 410.41363
825.0000 -211.08324 -205.90254 5.18069 1.89146 -206.19964 393.95584
830.0000 -209.70064 -205.96573 3.73491 1.88496 -206.32230 390.67918
835.0000 -210.91228 -206.28388 4.62840 1.89879 -206.06133 397.75289
840.0000 -209.84360 -205.64062 4.20298 1.88072 -206.40237 381.76609
845.0000 -209.87633 -205.71075 4.16558 1.92707 -205.52755 421.18652
850.0000 -210.37514 -205.75264 4.62250 1.91231 -205.80607 409.28018
855.0000 -209.92406 -205.85532 4.06875 1.92887 -205.49349 419.37780
860.0000 -210.37231 -206.47219 3.90012 1.90724 -205.90179 406.79788
865.0000 -210.55149 -206.75936 3.79213 1.87012 -206.60238 377.63987
870.0000 -210.92707 -206.55040 4.37667 1.86855 -206.63192 373.29595
875.0000 -210.49439 -206.49552 3.99887 1.86870 -206.62924 375.27600
880.0000 -210.19377 -205.52349 4.67028 1.89293 -206.17180 395.79123
885.0000 -210.48982 -206.27641 4.21341 1.88226 -206.37325 386.39345
890.0000 -210.74578 -206.11053 4.63525 1.88809 -206.26318 390.12125
895.0000 -210.75612 -206.75710 3.99902 1.89015 -206.22434 395.36297
900.0000 -210.11693 -205.35332 4.76362 1.89027 -206.22199 392.41450
905.0000 -210.30215 -205.90034 4.40181 1.93329 -205.41016 422.38550
910.0000 -210.62002 -206.76783 3.85219 1.91227 -205.80687 409.00605
915.0000 -210.68719 -206.21323 4.47396 1.87797 -206.45413 383.21367
920.0000 -210.12816 -206.00643 4.12173 1.90535 -205.93748 406.31462
925.0000 -210.32487 -206.09078 4.23409 1.89795 -206.07711 393.56967
930.0000 -210.46164 -206.65185 3.80979 1.89536 -206.12595 396.11104
935.0000 -210.14487 -206.29659 3.84828 1.86367 -206.72405 369.79967
940.0000 -209.63919 -205.86588 3.77331 1.91181 -205.81558 411.54210
945.0000 -209.84675 -205.01385 4.83290 1.94255 -205.23532 432.68314
950.0000 -210.34745 -205.83612 4.51133 1.94722 -205.14708 442.42311
955.0000 -210.07592 -205.78947 4.28645 1.90349 -205.97249 403.14697
960.0000 -210.24378 -205.67364 4.57014 1.91568 -205.74244 411.39026
965.0000 -209.23782 -205.04234 4.19549 1.94315 -205.22399 439.78978
970.0000 -210.89337 -206.89884 3.99453 1.90089 -206.02161 400.41941
975.0000 -210.57914 -205.52511 5.05403 1.89002 -206.22671 394.77523
980.0000 -210.43478 -205.96318 4.47160 1.90442 -205.95498 404.47050
985.0000 -209.34755 -205.17117 4.17639 1.93241 -205.42662 428.95028
990.0000 -210.73000 -206.94448 3.78552 1.90282 -205.98520 401.29695
995.0000 -210.20164 -206.42656 3.77508 1.86040 -206.78593 365.43262
1000.0000 -209.93086 -205.43685 4.49401 1.90006 -206.03724 399.83107
MELTING PROCESS: loop number 5 T-loop= 439.00000000000000
main_MD> interactions number 5 at Temperature= 439.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.58701 0.89900 -1.40647
force_rgl> df(natom) 0.02714 0.83136 -2.89186
1005.0000 -208.96386 -204.88065 4.08321 1.93567 -205.36513 425.74609
1010.0000 -209.38479 -204.46736 4.91744 1.95810 -204.94172 444.68261
1015.0000 -209.80699 -205.17553 4.63145 1.93116 -205.45034 425.45808
1020.0000 -209.50875 -205.79198 3.71677 1.90625 -205.92045 404.22644
1025.0000 -210.19913 -206.21143 3.98770 1.90316 -205.97883 403.27560
1030.0000 -209.27428 -204.80294 4.47134 1.92942 -205.48317 422.17811
1035.0000 -210.05587 -205.20439 4.85148 1.95067 -205.08212 436.22415
1040.0000 -210.32864 -205.40536 4.92327 1.92138 -205.63489 417.23246
1045.0000 -208.79570 -203.20583 5.58987 1.97467 -204.62898 462.94998
1050.0000 -209.11599 -204.88778 4.22822 1.98579 -204.41918 464.53459
1055.0000 -210.22802 -205.65178 4.57624 1.93821 -205.31722 430.42966
1060.0000 -209.25864 -204.58949 4.66915 1.95427 -205.01403 443.90660
1065.0000 -209.06870 -204.70145 4.36725 1.97434 -204.63520 460.29606
1070.0000 -209.20094 -204.72157 4.47936 1.95032 -205.08866 424.14987
1075.0000 -209.49904 -204.79195 4.70709 1.98643 -204.40708 453.79093
1080.0000 -210.29873 -205.43532 4.86341 1.97579 -204.60791 461.50862
1085.0000 -209.76273 -204.78417 4.97856 1.94148 -205.25549 432.35961
1090.0000 -210.06407 -204.98354 5.08053 1.95118 -205.07237 434.90594
1095.0000 -209.83121 -205.61373 4.21747 1.95498 -205.00073 437.85494
1100.0000 -209.37267 -204.62008 4.75259 1.94263 -205.23376 425.51146
1105.0000 -209.40576 -205.46305 3.94271 1.96806 -204.75384 453.40616
1110.0000 -209.80315 -205.15158 4.65157 1.94318 -205.22345 431.18700
1115.0000 -210.72899 -206.05308 4.67591 1.91832 -205.69267 421.56965
1120.0000 -210.68043 -205.99870 4.68173 1.90788 -205.88970 404.89662
1125.0000 -210.01076 -205.76851 4.24225 1.94161 -205.25297 430.88531
1130.0000 -210.03886 -205.63951 4.39935 1.94462 -205.19627 428.92973
1135.0000 -209.94055 -205.93270 4.00785 1.91870 -205.68545 422.39114
1140.0000 -210.16105 -205.00682 5.15423 1.92173 -205.62828 415.84456
1145.0000 -210.03747 -204.98135 5.05612 1.97305 -204.65963 456.40117
1150.0000 -209.64095 -205.43767 4.20329 1.94353 -205.21679 433.29365
1155.0000 -208.97488 -203.83560 5.13928 1.98616 -204.41209 464.36796
1160.0000 -209.88434 -204.42391 5.46043 2.00694 -204.02000 472.69403
1165.0000 -209.67820 -204.98161 4.69659 1.97404 -204.64094 460.39635
1170.0000 -209.17554 -204.49756 4.67798 1.97210 -204.67760 448.99501
1175.0000 -208.85492 -204.30290 4.55203 1.96256 -204.85765 450.02608
1180.0000 -209.48355 -204.85157 4.63199 1.95195 -205.05784 439.73469
1185.0000 -208.69779 -204.05981 4.63798 1.97040 -204.70969 452.58843
1190.0000 -209.11873 -204.68857 4.43016 2.00596 -204.03856 481.60671
1195.0000 -209.95314 -205.21194 4.74120 1.95946 -204.91612 444.01477
1200.0000 -209.53377 -204.50417 5.02960 1.95260 -205.04558 440.73123
1205.0000 -210.04076 -205.36823 4.67253 1.96724 -204.76933 449.97485
1210.0000 -209.26254 -204.65074 4.61180 1.96292 -204.85085 453.17415
1215.0000 -209.05707 -204.58717 4.46990 1.94248 -205.23657 428.35703
1220.0000 -208.96874 -203.81339 5.15534 1.98872 -204.36379 456.17011
1225.0000 -209.58961 -205.06395 4.52566 1.99467 -204.25165 467.04994
1230.0000 -209.82956 -204.88006 4.94951 1.96115 -204.88422 439.08748
1235.0000 -209.47262 -204.63185 4.84078 1.96967 -204.72341 441.27418
1240.0000 -210.08339 -205.64649 4.43690 1.94332 -205.22077 419.84174
1245.0000 -209.81158 -205.49708 4.31450 1.93610 -205.35709 416.46233
1250.0000 -209.61106 -205.52689 4.08416 1.92875 -205.49584 407.06671
MELTING PROCESS: loop number 6 T-loop= 464.00000000000000
main_MD> interactions number 6 at Temperature= 464.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.37832 -1.43769 -0.61058
force_rgl> df(natom) -0.79273 -2.97717 -1.91002
1255.0000 -208.75061 -203.92090 4.82971 1.98818 -204.37409 456.79680
1260.0000 -209.31929 -204.01797 5.30133 2.00183 -204.11638 472.01283
1265.0000 -209.20556 -205.29083 3.91473 1.96602 -204.79237 443.26627
1270.0000 -208.93489 -203.97682 4.95807 1.96799 -204.75510 436.28099
1275.0000 -207.48083 -202.88742 4.59342 2.06442 -202.93510 502.85068
1280.0000 -208.53763 -203.39260 5.14504 2.04964 -203.21408 478.91853
1285.0000 -208.86596 -203.85145 5.01451 2.01959 -203.78128 459.71791
1290.0000 -208.31547 -203.35763 4.95784 2.04092 -203.37856 462.67116
1295.0000 -207.63433 -202.09008 5.54425 2.05984 -203.02147 502.39246
1300.0000 -208.84398 -204.15089 4.69309 2.03410 -203.50740 496.24615
1305.0000 -209.80349 -204.93442 4.86907 1.98555 -204.42369 472.93697
1310.0000 -209.05990 -204.52379 4.53610 1.96906 -204.73497 458.75621
1315.0000 -209.45375 -204.53598 4.91777 1.98610 -204.41328 466.04440
1320.0000 -208.83492 -203.63126 5.20365 2.01335 -203.89901 492.15420
1325.0000 -208.31196 -203.08249 5.22947 2.05839 -203.04882 522.44666
1330.0000 -208.81034 -203.20112 5.60922 2.04483 -203.30488 513.53276
1335.0000 -209.78096 -205.11281 4.66815 1.97632 -204.59782 457.79965
1340.0000 -209.54691 -204.90757 4.63934 1.93640 -205.35136 430.22865
1345.0000 -208.44038 -203.04854 5.39183 2.02710 -203.63946 499.83174
1350.0000 -209.17551 -203.31490 5.86061 2.04398 -203.32079 519.56078
1355.0000 -208.93817 -203.46405 5.47412 2.01535 -203.86127 493.28983
1360.0000 -208.79184 -203.56087 5.23097 2.05292 -203.15208 523.23751
1365.0000 -208.94372 -203.55290 5.39083 2.01712 -203.82777 494.63952
1370.0000 -208.47708 -203.78786 4.68922 2.00302 -204.09394 482.04766
1375.0000 -209.59978 -204.33763 5.26215 2.00666 -204.02526 485.01869
1380.0000 -209.82292 -204.71647 5.10645 1.95626 -204.97655 446.72055
1385.0000 -209.54821 -205.36630 4.18191 1.92494 -205.56775 427.66888
1390.0000 -209.66932 -205.62445 4.04487 1.93612 -205.35663 434.29840
1395.0000 -210.08124 -205.34505 4.73618 1.92890 -205.49288 427.90200
1400.0000 -210.16394 -205.58315 4.58080 1.95039 -205.08724 443.93794
1405.0000 -209.76353 -205.20828 4.55525 1.90678 -205.91049 410.74135
1410.0000 -209.25382 -204.73551 4.51832 1.95841 -204.93596 447.75136
1415.0000 -208.85594 -204.17110 4.68484 1.99527 -204.24032 464.91485
1420.0000 -208.86409 -203.85225 5.01185 2.02133 -203.74840 473.72674
1425.0000 -209.05131 -204.34313 4.70818 1.98452 -204.44306 451.22686
1430.0000 -209.39567 -204.11560 5.28007 1.99920 -204.16609 462.96938
1435.0000 -209.01427 -203.54122 5.47305 2.00373 -204.08059 475.81284
1440.0000 -208.88722 -203.81569 5.07153 2.03975 -203.40062 475.31397
1445.0000 -209.15964 -203.81798 5.34166 2.03488 -203.49264 485.80351
1450.0000 -209.32905 -204.49371 4.83534 1.96671 -204.77933 434.51205
1455.0000 -209.33018 -204.27689 5.05329 2.00780 -204.00380 470.23724
1460.0000 -209.51515 -204.61428 4.90087 1.99269 -204.28894 471.09889
1465.0000 -209.84344 -204.58811 5.25533 1.99237 -204.29502 468.19099
1470.0000 -209.56139 -204.79591 4.76547 1.96991 -204.71882 453.34068
1475.0000 -209.62632 -204.69647 4.92985 1.98900 -204.35860 467.60954
1480.0000 -208.94937 -203.93901 5.01036 1.99664 -204.21431 464.20491
1485.0000 -209.94635 -205.48130 4.46505 1.98870 -204.36417 450.36606
1490.0000 -209.50920 -204.72530 4.78390 1.94682 -205.15473 429.19557
1495.0000 -209.10790 -204.35469 4.75321 1.99772 -204.19403 458.05055
1500.0000 -209.11969 -204.08414 5.03555 2.01256 -203.91398 472.77174
MELTING PROCESS: loop number 7 T-loop= 489.00000000000000
main_MD> interactions number 7 at Temperature= 489.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.93323 0.43966 1.60233
force_rgl> df(natom) 1.34405 0.87214 0.40006
1505.0000 -208.46748 -203.45344 5.01404 2.03436 -203.50236 490.45379
1510.0000 -209.35795 -204.25630 5.10165 1.99792 -204.19025 452.84665
1515.0000 -208.33275 -202.75618 5.57657 2.03518 -203.48691 488.87033
1520.0000 -208.49127 -202.47131 6.01996 2.06951 -202.83894 519.97278
1525.0000 -209.17108 -204.09563 5.07545 2.03904 -203.41414 488.85967
1530.0000 -208.46941 -203.94708 4.52233 1.98815 -204.37472 459.76978
1535.0000 -208.77408 -203.65485 5.11924 2.01158 -203.93243 473.79470
1540.0000 -208.87724 -203.86192 5.01532 1.97981 -204.53213 451.55217
1545.0000 -208.91088 -203.73726 5.17363 2.04092 -203.37855 501.17224
1550.0000 -208.60007 -203.45860 5.14147 2.05761 -203.06358 499.82315
1555.0000 -208.76109 -203.71136 5.04973 2.03956 -203.40426 493.18636
1560.0000 -209.11142 -204.64659 4.46484 2.02087 -203.75709 473.52914
1565.0000 -208.92445 -204.13916 4.78529 2.00861 -203.98836 472.95413
1570.0000 -208.60771 -202.72007 5.88765 2.05336 -203.14378 505.13037
1575.0000 -208.56289 -203.36415 5.19873 2.04371 -203.32589 498.81783
1580.0000 -207.76080 -202.27215 5.48865 2.06517 -202.92100 500.71877
1585.0000 -209.15510 -203.12621 6.02888 2.07786 -202.68144 527.43412
1590.0000 -207.50156 -202.20778 5.29378 2.06397 -202.94348 489.30735
1595.0000 -208.07679 -202.89371 5.18308 2.07253 -202.78198 493.83444
1600.0000 -208.32103 -202.18020 6.14083 2.07316 -202.77008 490.91930
1605.0000 -209.03189 -203.30085 5.73105 2.07440 -202.74678 502.57169
1610.0000 -208.80633 -202.83662 5.96972 2.06752 -202.87652 485.76944
1615.0000 -208.66895 -203.22833 5.44062 2.03482 -203.49367 472.76937
1620.0000 -208.18520 -203.11537 5.06984 2.04382 -203.32383 469.21235
1625.0000 -207.78647 -203.00695 4.77951 2.05873 -203.04238 482.15491
1630.0000 -208.10278 -203.11707 4.98571 2.06712 -202.88419 485.62790
1635.0000 -209.40817 -204.81607 4.59210 2.03168 -203.55297 466.88501
1640.0000 -208.71899 -202.64117 6.07781 2.04854 -203.23486 485.91356
1645.0000 -208.09927 -202.22506 5.87421 2.08786 -202.49264 511.02772
1650.0000 -207.39194 -202.68001 4.71193 2.07726 -202.69268 506.45517
1655.0000 -207.33900 -201.41554 5.92346 2.09664 -202.32689 529.00571
1660.0000 -208.89565 -203.53605 5.35960 2.07751 -202.68796 498.88137
1665.0000 -208.85211 -203.81443 5.03768 2.02425 -203.69318 461.25912
1670.0000 -207.88686 -202.37512 5.51174 2.04309 -203.33774 472.40134
1675.0000 -208.03055 -203.10914 4.92140 2.05706 -203.07405 480.52884
1680.0000 -207.95645 -203.15634 4.80012 2.05235 -203.16296 467.68022
1685.0000 -208.52369 -202.52736 5.99633 2.08080 -202.62583 505.91184
1690.0000 -208.74185 -203.99750 4.74435 2.04852 -203.23520 496.58372
1695.0000 -208.44179 -203.14282 5.29897 2.01059 -203.95103 463.48219
1700.0000 -207.93641 -202.50500 5.43141 2.07151 -202.80123 512.46345
1705.0000 -209.12625 -203.88607 5.24019 2.03692 -203.45405 490.18053
1710.0000 -207.53010 -202.43350 5.09660 2.04780 -203.24883 481.54062
1715.0000 -208.11369 -202.25438 5.85930 2.09362 -202.38384 498.02978
1720.0000 -207.40839 -202.33044 5.07795 2.10741 -202.12368 503.81806
1725.0000 -207.66745 -201.81922 5.84823 2.13400 -201.62172 512.53649
1730.0000 -208.30384 -203.21947 5.08437 2.09084 -202.43644 492.79013
1735.0000 -206.64178 -201.90388 4.73790 2.08801 -202.48984 496.81437
1740.0000 -207.24790 -202.08302 5.16488 2.10132 -202.23860 502.03211
1745.0000 -207.38307 -202.46664 4.91643 2.07580 -202.72020 492.80210
1750.0000 -209.24293 -204.11670 5.12623 2.05067 -203.19459 475.71094
MELTING PROCESS: loop number 8 T-loop= 514.00000000000000
main_MD> interactions number 8 at Temperature= 514.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16717 -0.10974 -1.15617
force_rgl> df(natom) -0.52995 1.21962 -0.59681
1755.0000 -209.13900 -203.50457 5.63443 2.01259 -203.91341 457.96023
1760.0000 -208.39824 -202.47878 5.91946 2.07875 -202.66457 522.48983
1765.0000 -208.25239 -201.84026 6.41213 2.10121 -202.24059 521.87322
1770.0000 -207.31937 -201.83448 5.48490 2.10998 -202.07523 530.07348
1775.0000 -207.74697 -202.37518 5.37179 2.12416 -201.80756 544.16914
1780.0000 -207.83025 -202.70411 5.12614 2.09470 -202.36360 503.28293
1785.0000 -208.04895 -202.09070 5.95825 2.10275 -202.21153 518.42930
1790.0000 -207.33082 -201.13448 6.19634 2.12302 -201.82894 531.14497
1795.0000 -206.76855 -201.99239 4.77616 2.15508 -201.22399 554.62469
1800.0000 -207.20749 -201.72625 5.48124 2.13419 -201.61813 530.39612
1805.0000 -206.41773 -202.21947 4.19826 2.10512 -202.16694 508.82109
1810.0000 -208.18880 -202.73897 5.44983 2.08434 -202.55911 499.90406
1815.0000 -208.35109 -202.85305 5.49804 2.07567 -202.72269 501.55974
1820.0000 -207.36530 -201.23239 6.13291 2.11355 -202.00778 527.48420
1825.0000 -207.30369 -201.87224 5.43145 2.13296 -201.64141 553.63932
1830.0000 -208.14967 -201.85741 6.29226 2.11341 -202.01032 535.31198
1835.0000 -207.50989 -202.80206 4.70783 2.09550 -202.34836 522.69605
1840.0000 -208.06247 -202.24201 5.82047 2.07491 -202.73706 505.80893
1845.0000 -206.77096 -200.68814 6.08281 2.16326 -201.06959 567.88781
1850.0000 -207.40161 -202.35212 5.04949 2.13145 -201.66981 542.85677
1855.0000 -208.05074 -202.41481 5.63593 2.08556 -202.53604 515.26822
1860.0000 -207.50553 -201.47398 6.03155 2.10747 -202.12242 521.99043
1865.0000 -207.25494 -202.12912 5.12581 2.08607 -202.52645 505.92499
1870.0000 -208.57698 -203.80811 4.76887 2.07866 -202.66629 504.05421
1875.0000 -207.66885 -201.81939 5.84946 2.11045 -202.06626 525.66471
1880.0000 -207.56449 -202.28405 5.28044 2.09490 -202.35977 515.79021
1885.0000 -208.27885 -202.25560 6.02325 2.08200 -202.60325 480.26812
1890.0000 -207.12757 -201.65783 5.46974 2.13125 -201.67367 508.94686
1895.0000 -207.88624 -202.31870 5.56754 2.08642 -202.51982 493.89572
1900.0000 -208.94631 -203.49445 5.45186 2.06107 -202.99823 494.14272
1905.0000 -209.58054 -204.00569 5.57485 2.01756 -203.81943 473.05072
1910.0000 -207.90509 -202.49813 5.40696 2.08121 -202.61822 517.60683
1915.0000 -208.34532 -202.87944 5.46588 2.06910 -202.84670 503.80212
1920.0000 -207.55040 -202.14510 5.40530 2.08756 -202.49828 509.57669
1925.0000 -207.88457 -202.67445 5.21011 2.09803 -202.30075 508.71831
1930.0000 -207.34227 -202.20307 5.13920 2.08792 -202.49157 499.36910
1935.0000 -206.84677 -201.26846 5.57831 2.11015 -202.07200 515.64379
1940.0000 -207.53743 -201.87666 5.66077 2.09119 -202.42977 504.20418
1945.0000 -206.78991 -201.70512 5.08479 2.12281 -201.83303 539.11334
1950.0000 -207.53406 -202.69674 4.83732 2.10012 -202.26129 509.08514
1955.0000 -207.40427 -202.88352 4.52075 2.09315 -202.39276 499.43084
1960.0000 -209.07682 -204.34002 4.73680 2.02643 -203.65209 440.50181
1965.0000 -207.80002 -202.93814 4.86188 2.03265 -203.53471 460.91864
1970.0000 -207.65555 -202.57675 5.07880 2.06457 -202.93225 486.03123
1975.0000 -207.63397 -202.35668 5.27729 2.10333 -202.20057 516.34071
1980.0000 -206.63433 -201.52654 5.10779 2.11353 -202.00812 523.09294
1985.0000 -206.88673 -201.10803 5.77870 2.16348 -201.06540 557.19067
1990.0000 -207.20269 -201.28165 5.92104 2.14717 -201.37328 543.62915
1995.0000 -206.59712 -200.15740 6.43972 2.17924 -200.76796 573.74006
2000.0000 -207.08054 -201.31681 5.76373 2.16040 -201.12351 545.04716
MELTING PROCESS: loop number 9 T-loop= 539.00000000000000
main_MD> interactions number 9 at Temperature= 539.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.71474 0.05167 -0.44883
force_rgl> df(natom) -0.20165 -1.14843 1.21061
2005.0000 -207.40641 -201.28711 6.11930 2.18012 -200.75126 551.57026
2010.0000 -206.87691 -201.57663 5.30028 2.13620 -201.58019 538.26728
2015.0000 -206.69764 -201.39937 5.29827 2.12369 -201.81636 502.47676
2020.0000 -206.60450 -198.82373 7.78077 2.22269 -199.94773 561.41076
2025.0000 -204.68604 -198.97273 5.71331 2.30282 -198.43532 616.07627
2030.0000 -206.81113 -200.96642 5.84471 2.22606 -199.88419 593.61839
2035.0000 -207.12603 -201.10860 6.01743 2.15248 -201.27296 553.05921
2040.0000 -207.15080 -200.32560 6.82519 2.19368 -200.49527 582.46804
2045.0000 -206.85773 -200.98727 5.87046 2.18274 -200.70189 584.68370
2050.0000 -206.71217 -200.81337 5.89880 2.16139 -201.10481 543.25208
2055.0000 -206.17516 -201.01847 5.15669 2.16686 -201.00154 533.49609
2060.0000 -206.76799 -201.61701 5.15097 2.14963 -201.32684 511.14100
2065.0000 -207.54347 -201.73410 5.80937 2.13751 -201.55547 502.41273
2070.0000 -206.57057 -200.80600 5.76457 2.17176 -200.90909 536.16938
2075.0000 -204.84340 -199.14306 5.70034 2.25115 -199.41056 566.28392
2080.0000 -205.60651 -199.10844 6.49807 2.26282 -199.19033 580.63942
2085.0000 -206.13274 -199.54265 6.59009 2.24215 -199.58056 576.97440
2090.0000 -207.06121 -201.92440 5.13681 2.16524 -201.03221 519.30844
2095.0000 -206.23558 -200.54617 5.68941 2.15275 -201.26793 544.79669
2100.0000 -206.80324 -200.88907 5.91418 2.17623 -200.82462 564.97371
2105.0000 -205.49169 -199.97043 5.52126 2.20076 -200.36166 556.46290
2110.0000 -206.09192 -199.99167 6.10025 2.20867 -200.21232 566.92902
2115.0000 -207.18373 -200.24471 6.93902 2.21314 -200.12803 587.03084
2120.0000 -206.94156 -200.85547 6.08609 2.21238 -200.14231 574.97958
2125.0000 -206.79993 -200.76384 6.03609 2.19696 -200.43337 559.32319
2130.0000 -206.57631 -200.82773 5.74858 2.17526 -200.84296 536.56540
2135.0000 -206.44048 -201.01433 5.42616 2.16579 -201.02168 525.09487
2140.0000 -207.02898 -201.03533 5.99366 2.16827 -200.97488 523.74832
2145.0000 -206.83864 -200.88091 5.95773 2.16662 -201.00603 562.69074
2150.0000 -207.92721 -202.23494 5.69227 2.12578 -201.77684 523.79020
2155.0000 -207.16548 -201.04371 6.12177 2.14511 -201.41216 519.08349
2160.0000 -207.01156 -201.21687 5.79469 2.14671 -201.38185 508.66910
2165.0000 -206.37805 -200.38911 5.98894 2.15816 -201.16573 523.53440
2170.0000 -206.98169 -201.82926 5.15243 2.18764 -200.60939 530.83347
2175.0000 -205.85131 -199.83832 6.01299 2.22247 -199.95203 563.30049
2180.0000 -206.67155 -200.92535 5.74620 2.15960 -201.13856 531.63252
2185.0000 -207.60728 -201.74341 5.86387 2.15708 -201.18617 541.21762
2190.0000 -205.96500 -200.53752 5.42749 2.14776 -201.36213 519.75713
2195.0000 -205.43841 -199.80258 5.63583 2.20721 -200.23991 557.45236
2200.0000 -206.96058 -200.76908 6.19151 2.23129 -199.78544 587.09316
2205.0000 -206.68793 -200.86045 5.82748 2.18196 -200.71651 554.99920
2210.0000 -207.22132 -201.67097 5.55036 2.13900 -201.52733 531.34030
2215.0000 -207.65876 -201.49083 6.16793 2.11118 -202.05255 512.75964
2220.0000 -207.61967 -202.47669 5.14299 2.12433 -201.80433 530.38315
2225.0000 -207.06454 -201.95809 5.10645 2.08893 -202.47243 486.78416
2230.0000 -206.68379 -200.28024 6.40356 2.16681 -201.00251 539.41822
2235.0000 -206.74343 -200.80643 5.93700 2.21010 -200.18539 578.83071
2240.0000 -206.83405 -201.64953 5.18452 2.14164 -201.47759 528.27492
2245.0000 -207.20204 -202.12958 5.07245 2.15130 -201.29520 520.30063
2250.0000 -207.17841 -201.84334 5.33506 2.12415 -201.80775 504.53082
MELTING PROCESS: loop number 10 T-loop= 564.00000000000000
main_MD> interactions number 10 at Temperature= 564.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.86550 -0.76895 -2.67300
force_rgl> df(natom) -0.43708 1.66856 -3.26394
2255.0000 -206.57855 -200.41279 6.16575 2.15860 -201.15737 535.82797
2260.0000 -206.15105 -200.06179 6.08926 2.18936 -200.57679 553.46300
2265.0000 -206.10345 -199.13103 6.97242 2.20450 -200.29121 557.20940
2270.0000 -205.94280 -199.55378 6.38902 2.23872 -199.64526 604.20591
2275.0000 -206.48497 -200.57868 5.90629 2.22956 -199.81816 574.09812
2280.0000 -206.79391 -201.53133 5.26258 2.16152 -201.10244 526.24685
2285.0000 -206.88814 -201.70366 5.18448 2.15071 -201.30647 546.33391
2290.0000 -207.12886 -200.78377 6.34509 2.14971 -201.32527 538.54505
2295.0000 -207.45024 -202.09054 5.35970 2.13925 -201.52270 531.93442
2300.0000 -207.37127 -200.93853 6.43273 2.16324 -201.06994 540.92191
2305.0000 -207.36462 -200.51941 6.84521 2.17299 -200.88586 542.91063
2310.0000 -206.51903 -200.36038 6.15865 2.18786 -200.60511 551.31430
2315.0000 -206.58534 -201.23133 5.35402 2.17829 -200.78590 537.07639
2320.0000 -206.82214 -200.09645 6.72569 2.17249 -200.89525 530.84181
2325.0000 -205.78415 -199.23574 6.54842 2.21887 -200.01992 569.87709
2330.0000 -206.56465 -200.03080 6.53384 2.25863 -199.26936 606.40206
2335.0000 -205.98212 -198.81621 7.16591 2.24726 -199.48413 589.94079
2340.0000 -206.03479 -199.80483 6.22996 2.22566 -199.89168 580.23955
2345.0000 -206.93308 -200.83958 6.09350 2.21865 -200.02410 590.18937
2350.0000 -205.55665 -199.58414 5.97251 2.20575 -200.26746 570.48830
2355.0000 -206.20963 -199.52307 6.68656 2.23767 -199.66507 584.70095
2360.0000 -205.86401 -199.25740 6.60661 2.24312 -199.56224 575.63250
2365.0000 -206.17048 -199.74384 6.42664 2.20604 -200.26204 552.43972
2370.0000 -204.84971 -198.15923 6.69047 2.29457 -198.59118 605.20370
2375.0000 -205.78688 -199.47277 6.31412 2.26971 -199.06029 599.23059
2380.0000 -205.62189 -198.41750 7.20439 2.24234 -199.57693 581.66655
2385.0000 -204.33973 -198.32287 6.01686 2.27269 -199.00403 595.96633
2390.0000 -206.43353 -200.19228 6.24125 2.25548 -199.32893 607.68616
2395.0000 -206.26116 -201.18849 5.07268 2.14436 -201.42619 542.66970
2400.0000 -206.61233 -200.37337 6.23895 2.20314 -200.31674 587.64477
2405.0000 -207.12039 -201.51732 5.60307 2.19285 -200.51104 580.55794
2410.0000 -208.98497 -202.93062 6.05435 2.10580 -202.15402 527.64760
2415.0000 -207.52165 -202.25238 5.26927 2.07918 -202.65652 521.32581
2420.0000 -206.32612 -200.70077 5.62535 2.18302 -200.69658 589.35615
2425.0000 -206.64271 -200.49902 6.14369 2.23444 -199.72610 602.22908
2430.0000 -206.72516 -200.86544 5.85972 2.18904 -200.58286 581.95664
2435.0000 -206.03034 -200.74989 5.28045 2.16706 -200.99775 549.93012
2440.0000 -207.82026 -200.80088 7.01938 2.20137 -200.35019 574.29219
2445.0000 -205.88490 -200.19299 5.69191 2.16133 -201.10586 543.79664
2450.0000 -205.93039 -199.98237 5.94801 2.22755 -199.85602 568.88777
2455.0000 -205.62731 -199.62761 5.99970 2.23580 -199.70039 576.73166
2460.0000 -206.08445 -199.96469 6.11976 2.20688 -200.24627 546.50549
2465.0000 -206.30059 -201.01525 5.28534 2.22753 -199.85635 566.20379
2470.0000 -206.33304 -200.65498 5.67806 2.18363 -200.68510 541.77645
2475.0000 -206.56202 -199.99778 6.56424 2.21018 -200.18391 551.22286
2480.0000 -205.67221 -199.73245 5.93977 2.23208 -199.77049 553.53475
2485.0000 -205.81068 -199.79057 6.02011 2.22518 -199.90086 560.43629
2490.0000 -205.57812 -197.66913 7.90899 2.29780 -198.53013 592.07032
2495.0000 -204.61594 -198.54550 6.07044 2.31236 -198.25523 609.31452
2500.0000 -206.41970 -200.51201 5.90769 2.25661 -199.30766 576.05737
MELTING PROCESS: loop number 11 T-loop= 589.00000000000000
main_MD> interactions number 11 at Temperature= 589.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.78495 -1.63692 0.74955
force_rgl> df(natom) -1.23996 1.65091 -1.75002
2505.0000 -206.31846 -200.36752 5.95093 2.19191 -200.52881 527.36016
2510.0000 -206.52763 -200.49128 6.03635 2.22800 -199.84766 566.94083
2515.0000 -205.94717 -199.85506 6.09211 2.23730 -199.67197 571.75952
2520.0000 -206.37618 -200.52107 5.85510 2.21672 -200.06042 566.30616
2525.0000 -206.71504 -199.51427 7.20077 2.20286 -200.32211 570.82218
2530.0000 -205.02518 -198.28639 6.73879 2.26375 -199.17282 618.74779
2535.0000 -204.91154 -198.36817 6.54336 2.29377 -198.60614 616.55818
2540.0000 -205.30403 -199.27676 6.02726 2.29597 -198.56462 618.50869
2545.0000 -205.50534 -199.26182 6.24352 2.25808 -199.27980 579.62524
2550.0000 -206.17115 -200.71330 5.45785 2.20430 -200.29486 568.78689
2555.0000 -205.40935 -198.47057 6.93878 2.24870 -199.45689 582.65546
2560.0000 -206.47875 -199.46693 7.01182 2.25908 -199.26102 585.71423
2565.0000 -205.48498 -198.96571 6.51927 2.24466 -199.53316 596.88579
2570.0000 -204.99996 -197.99651 7.00345 2.30071 -198.47523 611.20145
2575.0000 -204.68195 -198.34407 6.33788 2.34882 -197.56712 640.90968
2580.0000 -205.73047 -199.07380 6.65666 2.28622 -198.74865 603.39147
2585.0000 -205.42894 -198.42833 7.00062 2.28357 -198.79869 631.17335
2590.0000 -204.44827 -197.72280 6.72547 2.32241 -198.06570 615.22782
2595.0000 -203.73342 -197.75615 5.97727 2.33255 -197.87426 617.31542
2600.0000 -204.79190 -198.31285 6.47905 2.29929 -198.50193 626.10260
2605.0000 -205.23073 -199.80341 5.42732 2.27591 -198.94321 604.39334
2610.0000 -206.58014 -199.37075 7.20938 2.21671 -200.06069 573.14429
2615.0000 -205.11270 -198.91265 6.20005 2.23620 -199.69272 580.36611
2620.0000 -205.51744 -198.75359 6.76385 2.30645 -198.36686 605.85621
2625.0000 -206.38062 -199.63739 6.74323 2.27132 -199.02984 607.03445
2630.0000 -207.18962 -200.80157 6.38804 2.18607 -200.63894 578.25307
2635.0000 -205.12195 -198.94693 6.17502 2.21159 -200.15725 615.50458
2640.0000 -206.78133 -199.76940 7.01194 2.21999 -199.99879 603.07559
2645.0000 -207.52328 -202.11829 5.40500 2.17627 -200.82401 569.72663
2650.0000 -207.33750 -201.51990 5.81760 2.10051 -202.25391 529.70538
2655.0000 -205.87921 -199.91704 5.96217 2.18703 -200.62084 597.39940
2660.0000 -206.77436 -200.29641 6.47795 2.21443 -200.10364 595.53168
2665.0000 -205.80993 -200.11467 5.69525 2.20705 -200.24303 593.97428
2670.0000 -205.74088 -199.81080 5.93008 2.20390 -200.30251 567.82067
2675.0000 -205.80244 -199.58192 6.22052 2.26061 -199.23198 582.83795
2680.0000 -205.65643 -199.67161 5.98481 2.24140 -199.59457 580.49385
2685.0000 -206.41694 -199.71001 6.70694 2.25500 -199.33801 576.93516
2690.0000 -206.06087 -198.57091 7.48995 2.25096 -199.41414 580.44893
2695.0000 -205.42747 -199.45949 5.96798 2.25776 -199.28581 605.66203
2700.0000 -205.96430 -199.78607 6.17823 2.25468 -199.34401 607.44292
2705.0000 -205.09446 -199.48118 5.61328 2.22849 -199.83832 555.64994
2710.0000 -206.27374 -199.91742 6.35632 2.22579 -199.88921 528.44315
2715.0000 -206.27816 -198.61026 7.66790 2.23501 -199.71521 572.46005
2720.0000 -205.09214 -199.51521 5.57692 2.26858 -199.08158 601.05265
2725.0000 -205.99002 -199.99814 5.99188 2.22345 -199.93338 545.58879
2730.0000 -205.82936 -199.85718 5.97218 2.22924 -199.82423 578.65507
2735.0000 -205.45372 -198.86161 6.59211 2.27121 -199.03206 618.03443
2740.0000 -205.33941 -199.06723 6.27218 2.26722 -199.10734 594.20700
2745.0000 -204.89973 -199.17826 5.72147 2.30136 -198.46295 615.75700
2750.0000 -204.69447 -198.09741 6.59706 2.29217 -198.63636 607.65205
MELTING PROCESS: loop number 12 T-loop= 614.00000000000000
main_MD> interactions number 12 at Temperature= 614.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.91207 1.16262 1.25934
force_rgl> df(natom) -1.07316 -2.92114 1.20641
2755.0000 -205.56703 -198.64776 6.91926 2.30420 -198.40940 643.32062
2760.0000 -204.78203 -198.07923 6.70280 2.32080 -198.09599 628.26370
2765.0000 -204.60837 -197.82465 6.78372 2.33602 -197.80878 632.58021
2770.0000 -205.92047 -198.21438 7.70609 2.30478 -198.39829 645.64479
2775.0000 -203.82076 -198.11497 5.70579 2.30908 -198.31724 601.30665
2780.0000 -204.17473 -198.39368 5.78105 2.35176 -197.51162 618.76822
2785.0000 -204.13492 -197.91067 6.22425 2.31117 -198.27779 602.20221
2790.0000 -205.41231 -199.30337 6.10893 2.31465 -198.21201 613.54995
2795.0000 -204.90205 -198.29208 6.60997 2.25073 -199.41846 585.67119
2800.0000 -205.80153 -198.02091 7.78062 2.33009 -197.92071 650.08877
2805.0000 -203.83675 -197.62421 6.21254 2.34143 -197.70661 646.28998
2810.0000 -205.51973 -198.30874 7.21099 2.31801 -198.14868 645.45564
2815.0000 -204.62562 -198.81178 5.81385 2.30251 -198.44120 610.73867
2820.0000 -204.22513 -198.50746 5.71767 2.30805 -198.33662 609.79049
2825.0000 -205.18044 -197.67910 7.50134 2.31216 -198.25903 615.17158
2830.0000 -205.12851 -199.08947 6.03904 2.32402 -198.03518 637.61184
2835.0000 -204.90647 -198.31361 6.59286 2.30466 -198.40073 623.92074
2840.0000 -203.79924 -196.61449 7.18475 2.39451 -196.70473 670.56991
2845.0000 -203.80648 -196.80098 7.00551 2.39219 -196.74863 664.05378
2850.0000 -203.50959 -196.95378 6.55581 2.32653 -197.98779 632.38303
2855.0000 -204.45279 -197.80543 6.64737 2.35264 -197.49506 625.22253
2860.0000 -204.72689 -197.92151 6.80538 2.34316 -197.67398 645.88418
2865.0000 -204.78554 -198.81295 5.97259 2.33593 -197.81041 657.21694
2870.0000 -205.32709 -198.67067 6.65642 2.28532 -198.76566 645.14423
2875.0000 -204.80891 -198.42663 6.38228 2.29861 -198.51479 613.45988
2880.0000 -205.12361 -198.23237 6.89125 2.27489 -198.96250 576.15975
2885.0000 -204.56868 -197.45537 7.11331 2.33480 -197.83173 639.70411
2890.0000 -204.15080 -197.39323 6.75757 2.38006 -196.97742 661.15740
2895.0000 -204.41058 -197.83245 6.57812 2.33339 -197.85835 612.44260
2900.0000 -204.90308 -199.37745 5.52564 2.27950 -198.87559 595.77693
2905.0000 -205.45965 -196.87343 8.58622 2.30118 -198.46627 621.88738
2910.0000 -204.08609 -198.31092 5.77518 2.34098 -197.71508 633.75193
2915.0000 -204.59372 -198.01551 6.57821 2.31007 -198.29854 622.35188
2920.0000 -204.69970 -198.65924 6.04047 2.26368 -199.17412 594.81055
2925.0000 -205.78280 -198.57251 7.21029 2.29632 -198.55802 606.76896
2930.0000 -203.21500 -196.67772 6.53728 2.36271 -197.30495 648.32747
2935.0000 -204.75712 -196.54182 8.21530 2.34648 -197.61133 625.53785
2940.0000 -203.39986 -196.53232 6.86755 2.39087 -196.77341 681.94110
2945.0000 -203.64181 -196.65321 6.98860 2.36462 -197.26887 656.25193
2950.0000 -206.45737 -200.19406 6.26331 2.35289 -197.49033 657.96608
2955.0000 -205.48153 -199.30639 6.17514 2.25414 -199.35427 570.74950
2960.0000 -205.76976 -198.46096 7.30880 2.27259 -199.00602 607.10280
2965.0000 -204.87539 -199.23363 5.64176 2.29159 -198.64740 625.66795
2970.0000 -205.53124 -199.71632 5.81492 2.23570 -199.70227 550.14535
2975.0000 -206.24788 -199.19633 7.05154 2.22812 -199.84527 557.29921
2980.0000 -206.23907 -199.34796 6.89110 2.27196 -199.01790 622.41882
2985.0000 -205.89267 -199.46953 6.42314 2.31288 -198.24549 642.04894
2990.0000 -204.30647 -197.50760 6.79887 2.28476 -198.77633 596.17804
2995.0000 -202.37268 -195.24690 7.12578 2.39842 -196.63098 692.19402
3000.0000 -204.05218 -197.53316 6.51902 2.37745 -197.02686 689.18662
MELTING PROCESS: loop number 13 T-loop= 639.00000000000000
main_MD> interactions number 13 at Temperature= 639.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.08658 4.10016 0.24375
force_rgl> df(natom) -3.42239 0.76588 -1.60353
3005.0000 -203.48192 -196.57882 6.90310 2.34123 -197.71049 653.77390
3010.0000 -204.90100 -198.05699 6.84401 2.34916 -197.56064 638.20494
3015.0000 -205.16888 -198.53285 6.63603 2.35803 -197.39334 667.33341
3020.0000 -206.63678 -199.76706 6.86973 2.27209 -199.01535 635.31318
3025.0000 -206.79980 -199.73319 7.06661 2.23627 -199.69143 611.34543
3030.0000 -205.96702 -198.80962 7.15740 2.26873 -199.07876 642.58599
3035.0000 -205.03151 -198.66881 6.36270 2.31623 -198.18222 644.55370
3040.0000 -205.25056 -198.99120 6.25936 2.30669 -198.36235 617.84576
3045.0000 -206.03987 -200.05786 5.98202 2.25397 -199.35743 597.17468
3050.0000 -205.19612 -198.73237 6.46375 2.24887 -199.45360 586.24048
3055.0000 -205.95759 -199.68325 6.27434 2.28205 -198.82735 607.11107
3060.0000 -204.80900 -198.02857 6.78044 2.29174 -198.64446 608.48862
3065.0000 -204.26886 -198.13071 6.13814 2.32719 -197.97546 616.76508
3070.0000 -204.95806 -197.89798 7.06008 2.29644 -198.55573 609.52553
3075.0000 -205.54138 -198.56664 6.97474 2.29657 -198.55328 624.76944
3080.0000 -204.68677 -198.12283 6.56393 2.24931 -199.44533 608.03664
3085.0000 -205.98345 -198.34747 7.63598 2.28656 -198.74219 635.03633
3090.0000 -204.67105 -198.16586 6.50519 2.28896 -198.69689 636.62891
3095.0000 -205.76544 -199.54140 6.22405 2.29655 -198.55367 646.96575
3100.0000 -205.77759 -198.64316 7.13443 2.24570 -199.51344 602.54361
3105.0000 -205.48668 -199.46099 6.02569 2.28972 -198.68260 625.11926
3110.0000 -206.12929 -198.09184 8.03745 2.28287 -198.81196 596.79289
3115.0000 -203.38564 -196.22618 7.15947 2.35581 -197.43519 653.84670
3120.0000 -203.99028 -196.63249 7.35780 2.38510 -196.88245 653.07085
3125.0000 -203.62395 -196.91047 6.71348 2.38945 -196.80035 678.37786
3130.0000 -202.95082 -196.05540 6.89543 2.41862 -196.24963 685.62866
3135.0000 -205.38753 -198.26668 7.12085 2.36637 -197.23597 649.45881
3140.0000 -204.91927 -198.39783 6.52144 2.33384 -197.84998 638.21622
3145.0000 -205.24156 -199.06918 6.17237 2.27201 -199.01688 591.39250
3150.0000 -205.64593 -198.77043 6.87550 2.29332 -198.61465 606.06797
3155.0000 -205.80228 -198.66833 7.13394 2.29525 -198.57832 622.71462
3160.0000 -204.26956 -197.65905 6.61051 2.30363 -198.42016 621.33102
3165.0000 -204.95066 -198.38578 6.56488 2.31983 -198.11426 635.96391
3170.0000 -205.62713 -197.68177 7.94535 2.32572 -198.00322 638.40660
3175.0000 -205.13053 -198.50604 6.62449 2.33324 -197.86129 654.13762
3180.0000 -204.62546 -197.03680 7.58866 2.37168 -197.13568 652.65125
3185.0000 -204.45502 -197.34488 7.11014 2.32671 -197.98442 634.50465
3190.0000 -204.47513 -197.51935 6.95578 2.34399 -197.65832 656.12197
3195.0000 -204.27351 -198.25784 6.01566 2.34498 -197.63955 632.32892
3200.0000 -204.28732 -196.58084 7.70648 2.35140 -197.51849 638.09390
3205.0000 -204.08360 -197.04732 7.03629 2.39322 -196.72907 656.41324
3210.0000 -205.10345 -197.63043 7.47302 2.37311 -197.10868 650.31074
3215.0000 -203.42432 -197.20072 6.22360 2.37734 -197.02893 664.11830
3220.0000 -204.54876 -198.85021 5.69855 2.35676 -197.41732 658.77554
3225.0000 -204.17738 -198.00886 6.16852 2.32350 -198.04496 623.30988
3230.0000 -204.42540 -198.01904 6.40636 2.33418 -197.84348 632.48479
3235.0000 -203.95849 -196.90516 7.05334 2.35767 -197.40018 641.33621
3240.0000 -204.80932 -198.07247 6.73685 2.35429 -197.46387 663.37610
3245.0000 -204.72041 -198.03747 6.68294 2.33629 -197.80370 639.68624
3250.0000 -203.95875 -197.64091 6.31783 2.33322 -197.86161 621.93724
MELTING PROCESS: loop number 14 T-loop= 664.00000000000000
main_MD> interactions number 14 at Temperature= 664.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.28347 0.84595 -1.10234
force_rgl> df(natom) 1.88501 1.78471 -0.29595
3255.0000 -204.62488 -197.60871 7.01618 2.36483 -197.26491 650.88980
3260.0000 -203.75508 -198.18005 5.57503 2.30335 -198.42529 636.89284
3265.0000 -204.28005 -196.90815 7.37190 2.34864 -197.57046 641.10966
3270.0000 -203.87271 -195.94643 7.92628 2.42520 -196.12544 708.96593
3275.0000 -204.15886 -196.70074 7.45812 2.41304 -196.35505 694.80106
3280.0000 -204.91516 -197.52672 7.38843 2.37299 -197.11101 674.75722
3285.0000 -205.71343 -198.37121 7.34221 2.36258 -197.30744 659.12956
3290.0000 -204.77881 -197.00750 7.77131 2.35164 -197.51394 665.33608
3295.0000 -204.53295 -196.19500 8.33795 2.45149 -195.62933 716.60041
3300.0000 -204.67034 -197.80377 6.86658 2.37642 -197.04621 670.48814
3305.0000 -206.03060 -198.76526 7.26534 2.30061 -198.47715 622.86619
3310.0000 -205.56858 -199.27900 6.28959 2.28324 -198.80491 581.37710
3315.0000 -205.20450 -197.59509 7.60941 2.29765 -198.53296 617.16201
3320.0000 -203.20844 -196.46073 6.74771 2.36244 -197.31003 667.69019
3325.0000 -203.92662 -196.18241 7.74421 2.40848 -196.44115 685.20353
3330.0000 -204.20156 -196.53879 7.66277 2.42527 -196.12427 698.56518
3335.0000 -204.21146 -198.22351 5.98795 2.37684 -197.03823 661.96717
3340.0000 -204.23426 -196.77294 7.46132 2.33766 -197.77783 644.90297
3345.0000 -203.81703 -195.85499 7.96204 2.41797 -196.26197 682.02110
3350.0000 -205.27040 -197.65133 7.61907 2.39614 -196.67400 676.78469
3355.0000 -203.11734 -195.39129 7.72605 2.41307 -196.35438 678.63844
3360.0000 -204.58259 -198.34372 6.23887 2.38800 -196.82774 656.17903
3365.0000 -205.08516 -198.48573 6.59943 2.31816 -198.14578 614.21803
3370.0000 -204.24439 -198.55226 5.69213 2.30247 -198.44206 617.54441
3375.0000 -205.99646 -199.69909 6.29737 2.30134 -198.46336 603.26203
3380.0000 -205.94389 -199.00248 6.94141 2.27729 -198.91725 599.71184
3385.0000 -204.51804 -198.10991 6.40813 2.28799 -198.71526 611.77443
3390.0000 -202.94839 -196.58952 6.35887 2.35357 -197.47751 635.23045
3395.0000 -203.14420 -196.19647 6.94773 2.40859 -196.43904 686.34611
3400.0000 -204.46245 -196.99044 7.47201 2.38703 -196.84598 683.18733
3405.0000 -204.19950 -198.01135 6.18815 2.32330 -198.04883 637.77784
3410.0000 -204.86365 -197.92132 6.94234 2.33294 -197.86697 644.84581
3415.0000 -204.62509 -197.76134 6.86375 2.35714 -197.41013 651.52913
3420.0000 -202.65924 -196.27573 6.38351 2.39873 -196.62520 675.30056
3425.0000 -204.29940 -197.43882 6.86058 2.39519 -196.69203 670.40281
3430.0000 -203.60242 -196.85083 6.75159 2.36774 -197.21014 669.36426
3435.0000 -203.63401 -197.33354 6.30047 2.38784 -196.83072 678.72875
3440.0000 -202.71269 -196.15823 6.55446 2.39689 -196.65983 686.07230
3445.0000 -203.46698 -196.24667 7.22032 2.37551 -197.06341 656.19867
3450.0000 -204.57761 -196.44828 8.12932 2.39424 -196.70979 654.21545
3455.0000 -205.29300 -198.90722 6.38578 2.36407 -197.27932 656.37430
3460.0000 -206.10134 -198.21805 7.88329 2.26947 -199.06484 611.59642
3465.0000 -203.99692 -197.16186 6.83506 2.35267 -197.49449 665.04457
3470.0000 -205.24529 -198.76539 6.47991 2.33855 -197.76103 636.88552
3475.0000 -203.83094 -196.13649 7.69445 2.36321 -197.29551 636.49868
3480.0000 -203.41535 -196.79878 6.61658 2.40676 -196.47348 692.13315
3485.0000 -203.67769 -195.71640 7.96129 2.43792 -195.88539 683.54700
3490.0000 -202.88123 -195.73244 7.14879 2.42887 -196.05630 687.14860
3495.0000 -204.45795 -197.33618 7.12177 2.43340 -195.97082 685.03368
3500.0000 -203.18309 -195.75237 7.43072 2.39184 -196.75525 677.59988
MELTING PROCESS: loop number 15 T-loop= 689.00000000000000
main_MD> interactions number 15 at Temperature= 689.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.03558 -1.35074 -1.20969
force_rgl> df(natom) -0.69186 0.98710 3.29288
3505.0000 -203.49262 -196.02171 7.47090 2.43565 -195.92832 682.16792
3510.0000 -202.90486 -196.09783 6.80703 2.43708 -195.90137 694.65535
3515.0000 -203.89782 -196.13437 7.76345 2.40337 -196.53759 673.92414
3520.0000 -204.94496 -197.26784 7.67712 2.38477 -196.88867 669.11433
3525.0000 -202.72665 -195.15042 7.57622 2.46538 -195.36707 709.34533
3530.0000 -203.28842 -195.30801 7.98041 2.49520 -194.80436 736.11399
3535.0000 -204.19272 -195.88115 8.31157 2.43246 -195.98845 699.94771
3540.0000 -202.87404 -194.82137 8.05267 2.44502 -195.75142 703.19719
3545.0000 -203.04445 -195.35846 7.68599 2.45611 -195.54204 686.83469
3550.0000 -202.51593 -195.71835 6.79758 2.45613 -195.54182 721.73973
3555.0000 -202.58235 -195.51467 7.06768 2.47405 -195.20356 720.67078
3560.0000 -201.66562 -194.73824 6.92738 2.50556 -194.60871 737.23241
3565.0000 -204.57937 -197.17817 7.40120 2.38827 -196.82250 657.12621
3570.0000 -203.45746 -197.11286 6.34459 2.39622 -196.67245 696.30357
3575.0000 -204.48180 -197.27732 7.20448 2.38066 -196.96623 654.36280
3580.0000 -201.91137 -194.83621 7.07516 2.41085 -196.39642 690.44505
3585.0000 -202.27117 -194.63477 7.63640 2.50206 -194.67491 744.78803
3590.0000 -204.45797 -197.01920 7.43877 2.44696 -195.71489 724.54997
3595.0000 -201.59125 -194.06953 7.52172 2.46565 -195.36203 706.37486
3600.0000 -202.95915 -195.55844 7.40071 2.49066 -194.88994 747.11664
3605.0000 -203.11418 -195.72472 7.38946 2.47044 -195.27162 721.38941
3610.0000 -202.78001 -195.98792 6.79209 2.44497 -195.75240 667.06381
3615.0000 -203.24014 -196.35009 6.89005 2.40452 -196.51578 672.09838
3620.0000 -204.18167 -197.05116 7.13051 2.42000 -196.22367 682.38856
3625.0000 -203.12933 -195.59793 7.53140 2.38903 -196.80814 670.57361
3630.0000 -201.97473 -194.20386 7.77087 2.46094 -195.45097 714.21857
3635.0000 -203.70438 -196.48063 7.22375 2.46978 -195.28406 719.79828
3640.0000 -201.89027 -194.27863 7.61164 2.43108 -196.01448 688.18858
3645.0000 -203.05423 -196.57333 6.48091 2.46378 -195.39739 721.38073
3650.0000 -203.29895 -194.86813 8.43082 2.45072 -195.64382 712.59727
3655.0000 -204.52881 -196.55386 7.97495 2.40100 -196.58226 683.32520
3660.0000 -202.87098 -194.85331 8.01766 2.46565 -195.36195 727.85046
3665.0000 -202.72989 -195.34424 7.38565 2.49131 -194.87767 766.17527
3670.0000 -202.25226 -195.14289 7.10936 2.47549 -195.17631 712.16741
3675.0000 -202.66416 -195.06497 7.59920 2.49121 -194.87953 740.32042
3680.0000 -203.70214 -196.75664 6.94550 2.44919 -195.67279 707.16619
3685.0000 -203.21357 -195.15171 8.06186 2.39542 -196.68753 664.27663
3690.0000 -204.40901 -196.33065 8.07836 2.45797 -195.50696 687.76876
3695.0000 -202.75522 -195.27336 7.48186 2.39528 -196.69020 655.06060
3700.0000 -202.45229 -196.29886 6.15342 2.43709 -195.90109 677.31897
3705.0000 -202.65734 -196.18345 6.47388 2.44122 -195.82315 687.56009
3710.0000 -202.95850 -195.88009 7.07841 2.43308 -195.97673 688.40357
3715.0000 -203.82454 -196.78522 7.03932 2.39044 -196.78161 664.87491
3720.0000 -203.27080 -195.15802 8.11278 2.43642 -195.91367 682.94152
3725.0000 -202.36943 -194.88312 7.48632 2.47660 -195.15540 706.17805
3730.0000 -203.85789 -197.86604 5.99185 2.41119 -196.39000 672.32649
3735.0000 -202.27324 -194.92751 7.34573 2.48576 -194.98247 718.73751
3740.0000 -202.49197 -196.12560 6.36637 2.46654 -195.34533 710.31282
3745.0000 -202.38777 -193.93894 8.44883 2.44185 -195.81120 696.39658
3750.0000 -203.82417 -195.95852 7.86565 2.50092 -194.69640 716.81012
MELTING PROCESS: loop number 16 T-loop= 714.00000000000000
main_MD> interactions number 16 at Temperature= 714.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.36068 -2.95764 0.82068
force_rgl> df(natom) 1.95320 2.42779 -0.56856
3755.0000 -203.80963 -196.98044 6.82919 2.42140 -196.19730 691.47710
3760.0000 -203.87802 -195.77998 8.09804 2.40645 -196.47941 687.46213
3765.0000 -202.99687 -194.99280 8.00407 2.47401 -195.20433 712.07684
3770.0000 -202.66885 -194.37428 8.29456 2.46882 -195.30212 718.98109
3775.0000 -201.76615 -192.39331 9.37284 2.52867 -194.17261 765.00750
3780.0000 -203.52553 -195.39943 8.12610 2.52057 -194.32538 755.54191
3785.0000 -203.12382 -194.76934 8.35448 2.48973 -194.90748 738.66700
3790.0000 -203.35211 -195.57480 7.77732 2.45188 -195.62201 721.18607
3795.0000 -203.18220 -196.83919 6.34301 2.41547 -196.30917 691.34808
3800.0000 -204.64796 -196.71770 7.93026 2.39127 -196.76600 671.39896
3805.0000 -203.47503 -196.86757 6.60746 2.39194 -196.75321 673.93724
3810.0000 -202.26804 -195.12438 7.14367 2.42038 -196.21648 699.99591
3815.0000 -203.23808 -195.72547 7.51261 2.47516 -195.18258 719.42209
3820.0000 -203.04503 -195.74326 7.30177 2.44860 -195.68388 706.97103
3825.0000 -204.43392 -197.29056 7.14336 2.39072 -196.77633 671.49448
3830.0000 -203.91336 -195.77051 8.14285 2.40078 -196.58637 670.92680
3835.0000 -202.57059 -193.60435 8.96623 2.47488 -195.18778 721.28839
3840.0000 -202.38661 -194.63261 7.75401 2.54924 -193.78430 771.94008
3845.0000 -203.15961 -195.97911 7.18050 2.45953 -195.47752 713.75274
3850.0000 -202.73341 -195.70222 7.03120 2.41011 -196.41039 676.75606
3855.0000 -201.64435 -194.69570 6.94865 2.48017 -195.08794 729.70565
3860.0000 -203.25947 -194.53041 8.72905 2.49849 -194.74215 747.81976
3865.0000 -203.45924 -195.53974 7.91950 2.47589 -195.16880 736.32081
3870.0000 -203.39083 -195.36885 8.02198 2.46137 -195.44275 735.85016
3875.0000 -203.34767 -196.10311 7.24456 2.48041 -195.08338 739.00030
3880.0000 -204.17897 -197.22533 6.95364 2.40016 -196.59820 699.42916
3885.0000 -203.62529 -196.43748 7.18780 2.40486 -196.50936 702.60250
3890.0000 -204.80917 -197.05296 7.75621 2.40845 -196.44171 711.95426
3895.0000 -202.92072 -195.59785 7.32287 2.39683 -196.66106 689.21643
3900.0000 -204.40977 -196.27768 8.13209 2.44425 -195.76588 698.37429
3905.0000 -202.32549 -195.54198 6.78351 2.44124 -195.82272 699.89029
3910.0000 -203.57011 -196.06883 7.50128 2.42835 -196.06607 697.88303
3915.0000 -202.99231 -195.16442 7.82789 2.44524 -195.74720 676.72339
3920.0000 -201.62043 -195.17803 6.44239 2.46082 -195.45312 696.08764
3925.0000 -204.19335 -196.11326 8.08009 2.46361 -195.40056 699.00364
3930.0000 -203.53396 -195.82217 7.71179 2.46008 -195.46711 731.27104
3935.0000 -203.56374 -196.38033 7.18341 2.45168 -195.62574 732.78286
3940.0000 -203.84647 -196.12849 7.71798 2.46420 -195.38944 725.42418
3945.0000 -205.12052 -197.22320 7.89732 2.41292 -196.35727 706.62502
3950.0000 -204.24641 -196.63175 7.61466 2.40778 -196.45427 695.01060
3955.0000 -202.98612 -195.68148 7.30464 2.42212 -196.18366 705.33923
3960.0000 -201.66784 -195.59364 6.07420 2.47527 -195.18048 728.31826
3965.0000 -203.94020 -195.25460 8.68559 2.43659 -195.91060 679.03408
3970.0000 -203.47629 -195.64937 7.82692 2.48775 -194.94492 747.20362
3975.0000 -202.89936 -194.97509 7.92427 2.47418 -195.20107 719.03844
3980.0000 -204.37766 -198.01320 6.36446 2.39161 -196.75949 681.27399
3985.0000 -203.62066 -196.87611 6.74456 2.32415 -198.03284 642.48524
3990.0000 -203.30243 -196.87686 6.42556 2.41160 -196.38224 661.95239
3995.0000 -203.35537 -195.16349 8.19188 2.43361 -195.96670 700.85282
4000.0000 -203.82706 -196.14639 7.68067 2.43450 -195.95005 702.36110
MELTING PROCESS: loop number 17 T-loop= 739.00000000000000
main_MD> interactions number 17 at Temperature= 739.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.01210 0.44224 -0.98407
force_rgl> df(natom) 0.06801 -0.59068 1.69332
4005.0000 -202.26476 -195.69772 6.56704 2.43902 -195.86458 709.35609
4010.0000 -204.55706 -195.67274 8.88432 2.47383 -195.20767 730.79292
4015.0000 -204.36370 -197.16182 7.20188 2.40004 -196.60042 688.03924
4020.0000 -202.51601 -192.90555 9.61046 2.48213 -195.05104 755.27527
4025.0000 -202.49571 -194.82108 7.67462 2.54822 -193.80360 777.47091
4030.0000 -203.29695 -195.39056 7.90639 2.49361 -194.83426 738.47934
4035.0000 -200.46538 -193.17793 7.28746 2.55632 -193.65076 771.52208
4040.0000 -203.99938 -196.35087 7.64851 2.46826 -195.31282 737.51790
4045.0000 -203.50633 -195.89004 7.61629 2.41120 -196.38967 662.15621
4050.0000 -202.82083 -195.39041 7.43042 2.46386 -195.39591 700.99901
4055.0000 -203.27069 -194.02199 9.24871 2.52168 -194.30458 750.27006
4060.0000 -203.83519 -196.41687 7.41831 2.48303 -195.03408 721.39568
4065.0000 -203.66542 -197.27266 6.39276 2.41877 -196.24681 672.01014
4070.0000 -202.49002 -195.09375 7.39627 2.42443 -196.14004 669.04628
4075.0000 -202.48767 -196.00619 6.48148 2.46778 -195.32193 723.33730
4080.0000 -203.50233 -196.44119 7.06114 2.42584 -196.11346 676.65917
4085.0000 -203.69591 -195.83846 7.85745 2.43303 -195.97778 697.58197
4090.0000 -203.31942 -195.05217 8.26726 2.49207 -194.86344 729.90401
4095.0000 -201.73409 -193.94839 7.78570 2.50328 -194.65185 772.22398
4100.0000 -201.95038 -194.46424 7.48614 2.54419 -193.87968 752.63471
4105.0000 -202.46051 -194.75064 7.70987 2.54526 -193.85938 746.68756
4110.0000 -202.95062 -194.86003 8.09059 2.51649 -194.40246 735.08394
4115.0000 -202.47755 -194.55639 7.92116 2.49544 -194.79975 760.57462
4120.0000 -203.74179 -195.18603 8.55576 2.49720 -194.76663 738.73606
4125.0000 -202.46651 -195.54103 6.92548 2.46909 -195.29716 724.42933
4130.0000 -202.72679 -194.47595 8.25084 2.47846 -195.12029 735.59920
4135.0000 -204.16382 -196.81988 7.34393 2.47943 -195.10188 727.91746
4140.0000 -203.42489 -195.97171 7.45318 2.43666 -195.90928 709.53438
4145.0000 -203.85301 -196.12421 7.72880 2.41991 -196.22535 696.53753
4150.0000 -202.57423 -195.27610 7.29813 2.44937 -195.66939 712.77979
4155.0000 -201.73574 -194.07594 7.65980 2.50286 -194.65973 748.43705
4160.0000 -202.31699 -193.37484 8.94215 2.52323 -194.27523 748.54692
4165.0000 -202.92826 -195.01259 7.91567 2.49437 -194.82002 727.28437
4170.0000 -201.91039 -194.73006 7.18033 2.50698 -194.58201 723.08521
4175.0000 -203.75130 -196.55915 7.19215 2.46780 -195.32137 735.97017
4180.0000 -203.31416 -196.55859 6.75558 2.42923 -196.04937 684.13251
4185.0000 -201.78277 -192.82706 8.95570 2.53787 -193.99901 780.97121
4190.0000 -201.44821 -193.25950 8.18871 2.61140 -192.61111 819.44880
4195.0000 -201.26721 -192.24964 9.01758 2.61849 -192.47724 829.70082
4200.0000 -202.08845 -192.56645 9.52200 2.65180 -191.84849 845.98261
4205.0000 -202.83332 -195.50623 7.32709 2.49162 -194.87190 741.32633
4210.0000 -200.06141 -191.65177 8.40964 2.55582 -193.66020 790.26328
4215.0000 -201.80788 -193.62912 8.17876 2.58061 -193.19229 772.47067
4220.0000 -203.39136 -195.82069 7.57067 2.49016 -194.89951 739.04360
4225.0000 -202.61665 -195.17374 7.44291 2.47678 -195.15198 709.20239
4230.0000 -203.25140 -194.82513 8.42627 2.47745 -195.13931 727.35239
4235.0000 -202.64024 -194.93821 7.70203 2.46202 -195.43055 708.88774
4240.0000 -200.95154 -194.00173 6.94981 2.51670 -194.39858 750.20281
4245.0000 -202.41265 -195.34596 7.06670 2.48470 -195.00248 704.19837
4250.0000 -202.09050 -194.38273 7.70778 2.47159 -195.25001 718.68331
MELTING PROCESS: loop number 18 T-loop= 764.00000000000000
main_MD> interactions number 18 at Temperature= 764.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.64038 0.27122 -1.04623
force_rgl> df(natom) 4.27015 -0.22588 -0.97666
4255.0000 -201.80047 -192.79594 9.00453 2.51949 -194.34593 762.49961
4260.0000 -201.01103 -192.79963 8.21140 2.58888 -193.03612 805.66402
4265.0000 -201.69311 -194.29022 7.40288 2.58684 -193.07463 806.76607
4270.0000 -203.68795 -194.89881 8.78914 2.54627 -193.84039 771.75928
4275.0000 -201.77740 -194.24129 7.53611 2.49574 -194.79415 756.67875
4280.0000 -202.49443 -195.77447 6.71997 2.53605 -194.03324 765.72709
4285.0000 -202.88156 -195.66418 7.21738 2.47005 -195.27895 712.48035
4290.0000 -201.51521 -194.17938 7.33583 2.53955 -193.96714 767.01008
4295.0000 -203.88371 -196.56604 7.31767 2.50346 -194.64839 739.69912
4300.0000 -202.34786 -193.93947 8.40839 2.45271 -195.60628 724.33904
4305.0000 -200.56843 -192.89295 7.67549 2.59452 -192.92970 799.34334
4310.0000 -199.69329 -191.16884 8.52445 2.66053 -191.68376 813.74369
4315.0000 -201.50316 -192.76794 8.73521 2.63816 -192.10592 806.01604
4320.0000 -200.83457 -193.55073 7.28384 2.57645 -193.27070 793.04971
4325.0000 -201.64675 -194.31451 7.33224 2.52683 -194.20735 732.94577
4330.0000 -202.01773 -193.51980 8.49793 2.57664 -193.26720 779.64704
4335.0000 -201.27538 -192.78500 8.49038 2.58599 -193.09067 789.94895
4340.0000 -201.19181 -193.34507 7.84674 2.57329 -193.33036 784.07062
4345.0000 -201.11618 -193.29092 7.82526 2.60990 -192.63932 794.05224
4350.0000 -203.45496 -195.48457 7.97039 2.51001 -194.52476 751.55674
4355.0000 -204.44985 -195.66776 8.78209 2.47023 -195.27565 747.08357
4360.0000 -203.78974 -195.40479 8.38495 2.45450 -195.57244 742.93492
4365.0000 -203.41623 -195.26995 8.14629 2.50188 -194.67825 751.00575
4370.0000 -202.22739 -195.22020 7.00719 2.41006 -196.41132 675.98345
4375.0000 -200.65365 -192.22668 8.42697 2.56086 -193.56506 775.23760
4380.0000 -202.48336 -195.02016 7.46320 2.57069 -193.37948 767.76660
4385.0000 -201.82791 -194.46175 7.36616 2.50861 -194.55118 740.37302
4390.0000 -202.60543 -195.17715 7.42828 2.50059 -194.70266 727.82450
4395.0000 -202.26171 -194.81789 7.44381 2.50706 -194.58053 756.59709
4400.0000 -199.56451 -190.65244 8.91207 2.58902 -193.03354 810.87362
4405.0000 -202.75026 -194.44536 8.30490 2.62741 -192.30887 809.42802
4410.0000 -202.88770 -194.95606 7.93164 2.51577 -194.41607 722.78498
4415.0000 -202.71420 -193.61152 9.10268 2.53192 -194.11120 742.10541
4420.0000 -203.79785 -196.68250 7.11535 2.49903 -194.73200 722.11099
4425.0000 -202.07167 -194.89088 7.18078 2.47038 -195.27282 702.87594
4430.0000 -202.22743 -194.58382 7.64361 2.45944 -195.47923 722.97003
4435.0000 -202.62832 -195.17241 7.45591 2.49868 -194.73870 735.48934
4440.0000 -202.60049 -194.27195 8.32854 2.47817 -195.12573 728.30577
4445.0000 -203.96250 -195.05594 8.90656 2.55330 -193.70772 798.17290
4450.0000 -202.04182 -194.74435 7.29747 2.45434 -195.57544 729.73202
4455.0000 -203.03558 -195.87768 7.15790 2.47843 -195.12085 741.45514
4460.0000 -202.42607 -194.31134 8.11473 2.45688 -195.52756 722.38121
4465.0000 -202.11705 -193.24134 8.87572 2.56402 -193.50534 788.00933
4470.0000 -201.97866 -193.31108 8.66759 2.53224 -194.10511 762.12996
4475.0000 -200.74454 -193.81766 6.92688 2.53050 -194.13811 759.77296
4480.0000 -200.94734 -193.02784 7.91950 2.57382 -193.32048 756.42510
4485.0000 -201.85286 -194.22304 7.62982 2.58942 -193.02602 790.83251
4490.0000 -200.91564 -193.16794 7.74770 2.54870 -193.79458 751.69682
4495.0000 -201.92317 -195.27500 6.64817 2.52039 -194.32884 712.13527
4500.0000 -200.39727 -192.35360 8.04367 2.55708 -193.63639 750.04682
MELTING PROCESS: loop number 19 T-loop= 789.00000000000000
main_MD> interactions number 19 at Temperature= 789.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.18543 1.73784 -0.68238
force_rgl> df(natom) -5.17771 0.40221 0.22499
4505.0000 -202.96199 -194.18736 8.77463 2.58387 -193.13068 758.04347
4510.0000 -200.82173 -190.78796 10.03378 2.61433 -192.55581 809.90354
4515.0000 -201.26552 -191.61564 9.64988 2.66250 -191.64654 860.54158
4520.0000 -203.08357 -193.47913 9.60443 2.65360 -191.81449 833.73033
4525.0000 -200.98685 -191.58252 9.40433 2.58308 -193.14552 794.42786
4530.0000 -200.72003 -192.97233 7.74770 2.62930 -192.27325 829.81415
4535.0000 -201.12581 -190.94534 10.18047 2.66394 -191.61946 849.45381
4540.0000 -201.95693 -193.43784 8.51909 2.64281 -192.01816 847.80710
4545.0000 -202.58832 -193.25809 9.33023 2.56077 -193.56677 775.36501
4550.0000 -199.48221 -189.82430 9.65791 2.61950 -192.45822 838.32663
4555.0000 -199.78556 -192.58046 7.20510 2.67266 -191.45480 859.86689
4560.0000 -201.41985 -193.44582 7.97404 2.55152 -193.74124 779.27878
4565.0000 -201.79301 -193.40535 8.38766 2.55814 -193.61627 744.15422
4570.0000 -201.62431 -193.68800 7.93631 2.56563 -193.47498 784.89293
4575.0000 -200.75443 -193.44151 7.31291 2.55029 -193.76459 766.36876
4580.0000 -200.33219 -190.92533 9.40687 2.65361 -191.81442 844.13574
4585.0000 -202.52470 -194.24624 8.27845 2.67007 -191.50370 856.51347
4590.0000 -200.15040 -192.57835 7.57206 2.57022 -193.38837 803.95942
4595.0000 -199.83313 -192.63085 7.20228 2.61881 -192.47128 793.67509
4600.0000 -200.16628 -192.88035 7.28593 2.59976 -192.83084 773.26413
4605.0000 -200.07361 -190.90103 9.17258 2.67972 -191.32150 863.02939
4610.0000 -201.96497 -192.75318 9.21179 2.62063 -192.43679 819.90940
4615.0000 -202.70084 -194.17065 8.53019 2.56000 -193.58126 770.74005
4620.0000 -201.46712 -193.74441 7.72271 2.57346 -193.32722 788.95928
4625.0000 -200.38607 -192.26685 8.11922 2.57391 -193.31868 796.34681
4630.0000 -201.98233 -193.15422 8.82811 2.61153 -192.60866 796.08799
4635.0000 -201.73647 -194.00412 7.73234 2.59180 -192.98098 799.51508
4640.0000 -203.21984 -194.61143 8.60840 2.52072 -194.32254 759.76043
4645.0000 -203.89560 -194.71745 9.17816 2.52685 -194.20697 776.29295
4650.0000 -202.47662 -195.04342 7.43320 2.47269 -195.22909 734.34483
4655.0000 -201.86003 -194.14275 7.71728 2.55642 -193.64872 775.77659
4660.0000 -200.36796 -190.35729 10.01067 2.59125 -192.99135 785.21310
4665.0000 -201.37745 -193.20044 8.17701 2.68556 -191.21129 835.39239
4670.0000 -201.02797 -191.88940 9.13857 2.64558 -191.96592 815.40410
4675.0000 -201.88807 -194.27195 7.61612 2.60309 -192.76788 807.89294
4680.0000 -202.55847 -193.61112 8.94735 2.53249 -194.10053 760.19241
4685.0000 -202.21694 -193.61097 8.60597 2.56464 -193.49375 792.38844
4690.0000 -202.46619 -193.42132 9.04487 2.55381 -193.69816 767.09259
4695.0000 -201.83701 -193.05833 8.77868 2.61295 -192.58182 796.75527
4700.0000 -202.01467 -193.21914 8.79553 2.61187 -192.60227 805.51234
4705.0000 -201.37003 -193.38433 7.98570 2.55479 -193.67951 752.29573
4710.0000 -201.86479 -193.48661 8.37818 2.56324 -193.51999 771.24502
4715.0000 -200.74570 -191.85007 8.89563 2.60120 -192.80357 801.50197
4720.0000 -203.48661 -194.79794 8.68867 2.61491 -192.54475 820.36286
4725.0000 -202.94551 -195.32749 7.61802 2.45975 -195.47339 719.33316
4730.0000 -203.33973 -196.12953 7.21020 2.45759 -195.51412 716.40831
4735.0000 -202.48387 -195.35013 7.13374 2.42616 -196.10744 684.07451
4740.0000 -202.61579 -194.70204 7.91375 2.49603 -194.78855 712.96880
4745.0000 -201.51095 -192.80984 8.70112 2.54770 -193.81331 775.41016
4750.0000 -202.21255 -194.48858 7.72397 2.58335 -193.14060 788.31189
MELTING PROCESS: loop number 20 T-loop= 814.00000000000000
main_MD> interactions number 20 at Temperature= 814.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.29726 -2.48877 1.79272
force_rgl> df(natom) 0.31177 0.40904 0.57634
4755.0000 -201.91620 -193.28212 8.63408 2.52128 -194.31200 755.93786
4760.0000 -202.25601 -192.41167 9.84435 2.59731 -192.87707 810.70707
4765.0000 -199.74271 -190.23592 9.50679 2.66944 -191.51568 841.80449
4770.0000 -200.58792 -192.33964 8.24828 2.68747 -191.17531 860.26703
4775.0000 -198.33985 -188.81906 9.52079 2.73543 -190.27010 889.81224
4780.0000 -201.04152 -191.71199 9.32954 2.74207 -190.14473 908.54017
4785.0000 -199.50133 -190.60343 8.89790 2.65234 -191.83838 824.88124
4790.0000 -200.22477 -192.30503 7.91974 2.66086 -191.67746 820.54266
4795.0000 -201.10627 -192.56896 8.53731 2.62228 -192.40580 787.13035
4800.0000 -199.25516 -191.16354 8.09162 2.68284 -191.26267 841.28908
4805.0000 -200.81359 -191.22808 9.58550 2.69351 -191.06125 861.56763
4810.0000 -200.84052 -192.44614 8.39438 2.66424 -191.61377 833.97928
4815.0000 -200.43716 -192.95735 7.47980 2.63604 -192.14600 840.44656
4820.0000 -202.47854 -194.92206 7.55648 2.51860 -194.36272 762.64622
4825.0000 -202.86125 -193.92298 8.93827 2.49592 -194.79069 738.22838
4830.0000 -200.08546 -191.52168 8.56377 2.55960 -193.58875 808.28640
4835.0000 -200.92773 -193.03434 7.89338 2.60577 -192.71729 799.95443
4840.0000 -202.43801 -194.32650 8.11150 2.53446 -194.06333 766.67333
4845.0000 -203.84443 -195.13681 8.70762 2.49215 -194.86193 757.44620
4850.0000 -201.38865 -193.94527 7.44338 2.50077 -194.69914 746.94202
4855.0000 -203.27429 -195.70063 7.57367 2.50181 -194.67956 738.54126
4860.0000 -202.51985 -193.86028 8.65957 2.49092 -194.88509 737.19112
4865.0000 -201.25605 -192.99091 8.26513 2.52951 -194.15676 763.18538
4870.0000 -200.31032 -192.55802 7.75230 2.59570 -192.90739 805.91117
4875.0000 -199.24521 -191.60933 7.63588 2.62958 -192.26791 820.09073
4880.0000 -201.58671 -192.05945 9.52726 2.64160 -192.04110 831.76617
4885.0000 -201.13729 -194.31508 6.82220 2.57243 -193.34667 799.29593
4890.0000 -202.08014 -194.03105 8.04909 2.55254 -193.72195 773.90340
4895.0000 -201.79264 -193.96267 7.82998 2.52392 -194.26214 752.33160
4900.0000 -201.85251 -194.23859 7.61392 2.48901 -194.92112 731.16772
4905.0000 -200.15453 -191.79055 8.36398 2.57668 -193.26639 797.00604
4910.0000 -201.22418 -192.95330 8.27087 2.61132 -192.61255 802.50585
4915.0000 -201.77507 -192.64167 9.13340 2.62633 -192.32933 833.13428
4920.0000 -201.90973 -193.74543 8.16429 2.57282 -193.33924 809.39551
4925.0000 -202.48580 -194.49262 7.99318 2.53880 -193.98134 789.04984
4930.0000 -200.83867 -192.74790 8.09077 2.54103 -193.93927 764.41984
4935.0000 -200.33105 -192.58653 7.74451 2.60661 -192.70140 805.07238
4940.0000 -199.93371 -191.59840 8.33532 2.61441 -192.55432 820.67843
4945.0000 -200.75752 -190.37924 10.37828 2.69613 -191.01185 858.76807
4950.0000 -201.58136 -193.05132 8.53004 2.61096 -192.61933 820.39496
4955.0000 -200.56087 -191.78944 8.77143 2.61950 -192.45813 812.87693
4960.0000 -201.24819 -191.75010 9.49809 2.64398 -191.99610 825.17885
4965.0000 -201.79292 -190.42824 11.36468 2.69274 -191.07578 839.40143
4970.0000 -199.57230 -190.38967 9.18263 2.76334 -189.74327 929.14228
4975.0000 -200.45492 -190.82205 9.63288 2.73337 -190.30904 880.25869
4980.0000 -198.06961 -189.57028 8.49933 2.68034 -191.30980 858.66197
4985.0000 -201.45684 -193.06761 8.38923 2.65742 -191.74240 821.51273
4990.0000 -201.50372 -192.57410 8.92962 2.59264 -192.96520 811.32738
4995.0000 -202.72582 -192.93120 9.79462 2.61142 -192.61068 814.10114
5000.0000 -199.95271 -190.79150 9.16121 2.65071 -191.86920 818.65434
MELTING PROCESS: loop number 21 T-loop= 839.00000000000000
main_MD> interactions number 21 at Temperature= 839.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.27572 -1.61470 -1.08300
force_rgl> df(natom) -2.64774 0.56698 -1.11728
5005.0000 -201.81604 -192.44952 9.36652 2.67195 -191.46823 836.16655
5010.0000 -201.10476 -190.65452 10.45023 2.65774 -191.73637 847.34191
5015.0000 -199.92195 -192.41222 7.50973 2.66818 -191.53931 837.16433
5020.0000 -200.50357 -192.17861 8.32496 2.63279 -192.20743 845.27023
5025.0000 -199.99581 -191.30126 8.69455 2.68132 -191.29137 846.67508
5030.0000 -200.93213 -191.47758 9.45454 2.69346 -191.06216 854.56464
5035.0000 -200.06904 -190.90589 9.16316 2.68979 -191.13144 856.18921
5040.0000 -200.08859 -190.69401 9.39458 2.70288 -190.88443 862.22440
5045.0000 -200.49081 -190.17200 10.31881 2.71691 -190.61966 871.06038
5050.0000 -200.95980 -190.81873 10.14107 2.74604 -190.06989 897.98337
5055.0000 -202.07049 -193.19606 8.87444 2.61857 -192.47575 815.74856
5060.0000 -200.91295 -192.66516 8.24779 2.58167 -193.17216 808.85871
5065.0000 -200.58761 -192.11071 8.47690 2.67198 -191.46765 856.97363
5070.0000 -200.68500 -191.84641 8.83859 2.66785 -191.54568 840.17823
5075.0000 -201.47639 -191.71247 9.76392 2.68064 -191.30425 870.69188
5080.0000 -200.90224 -190.89720 10.00504 2.68326 -191.25470 849.04390
5085.0000 -200.25851 -190.94378 9.31473 2.72488 -190.46918 890.44104
5090.0000 -201.12281 -190.82902 10.29379 2.71576 -190.64124 896.86808
5095.0000 -201.47643 -192.20294 9.27349 2.65383 -191.81017 870.81749
5100.0000 -201.76778 -193.32427 8.44351 2.59473 -192.92570 808.02019
5105.0000 -203.13213 -193.72000 9.41214 2.57319 -193.33225 789.34739
5110.0000 -200.81926 -193.29460 7.52466 2.57466 -193.30454 793.76190
5115.0000 -202.01464 -193.61459 8.40005 2.57444 -193.30859 774.48647
5120.0000 -201.38994 -191.82330 9.56665 2.59205 -192.97629 799.78587
5125.0000 -199.53380 -191.66723 7.86657 2.67813 -191.35165 855.86597
5130.0000 -202.57110 -194.13166 8.43944 2.62897 -192.27953 817.72458
5135.0000 -202.78218 -194.78129 8.00089 2.53158 -194.11771 753.07768
5140.0000 -203.10587 -194.00408 9.10179 2.53073 -194.13373 776.95660
5145.0000 -202.05089 -194.61324 7.43765 2.54284 -193.90507 783.58745
5150.0000 -202.57459 -194.16240 8.41218 2.54692 -193.82805 757.70329
5155.0000 -201.18594 -192.57636 8.60957 2.55826 -193.61402 776.26042
5160.0000 -200.59384 -192.85807 7.73577 2.62137 -192.42298 784.01382
5165.0000 -200.90331 -191.89725 9.00606 2.61560 -192.53183 801.39581
5170.0000 -201.56603 -193.03081 8.53522 2.61846 -192.47779 826.61393
5175.0000 -201.42336 -192.84689 8.57648 2.59860 -192.85272 803.73353
5180.0000 -201.27709 -192.36659 8.91050 2.60282 -192.77298 801.05446
5185.0000 -201.00829 -191.28199 9.72630 2.64233 -192.02722 813.11621
5190.0000 -200.62987 -192.63662 7.99325 2.60833 -192.66898 785.82004
5195.0000 -199.46125 -189.93849 9.52276 2.64260 -192.02223 816.08608
5200.0000 -201.15714 -192.53750 8.61964 2.74685 -190.05449 901.40758
5205.0000 -199.38984 -190.53360 8.85623 2.66634 -191.57408 830.90149
5210.0000 -200.07936 -190.96998 9.10938 2.73376 -190.30168 863.52626
5215.0000 -197.08028 -187.24450 9.83578 2.81430 -188.78142 906.84068
5220.0000 -198.66914 -188.88507 9.78407 2.84219 -188.25506 957.12384
5225.0000 -202.06158 -191.39365 10.66793 2.78342 -189.36429 885.34999
5230.0000 -200.91848 -192.96841 7.95007 2.60000 -192.82631 784.17682
5235.0000 -200.91048 -192.43664 8.47384 2.62561 -192.34279 817.40845
5240.0000 -200.53402 -191.81125 8.72277 2.63591 -192.14851 814.39547
5245.0000 -201.41295 -189.73964 11.67331 2.69831 -190.97067 872.06105
5250.0000 -201.87555 -190.97130 10.90425 2.70202 -190.90065 862.28942
MELTING PROCESS: loop number 22 T-loop= 864.00000000000000
main_MD> interactions number 22 at Temperature= 864.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.29910 -2.37812 0.87518
force_rgl> df(natom) -0.52273 0.81861 -0.34085
5255.0000 -199.93639 -189.94382 9.99257 2.76594 -189.69426 913.73093
5260.0000 -201.32608 -191.73670 9.58938 2.71249 -190.70304 873.72112
5265.0000 -200.45588 -190.71170 9.74418 2.70245 -190.89252 884.48944
5270.0000 -199.33955 -189.21171 10.12783 2.78796 -189.27863 943.79231
5275.0000 -200.28810 -190.09785 10.19025 2.74735 -190.04500 907.80491
5280.0000 -200.76410 -191.45562 9.30848 2.75085 -189.97899 911.07855
5285.0000 -201.65422 -192.11723 9.53700 2.67717 -191.36965 839.37168
5290.0000 -201.97439 -193.46235 8.51205 2.56356 -193.51411 796.16499
5295.0000 -200.69724 -193.31514 7.38210 2.55452 -193.68464 805.55706
5300.0000 -200.75703 -191.68519 9.07183 2.61950 -192.45816 839.97514
5305.0000 -199.25662 -191.42353 7.83309 2.69329 -191.06538 867.52860
5310.0000 -199.82602 -190.87405 8.95197 2.66633 -191.57428 834.51859
5315.0000 -200.92631 -191.33628 9.59003 2.75731 -189.85710 874.38272
5320.0000 -201.17054 -191.39848 9.77206 2.73748 -190.23137 857.45219
5325.0000 -202.11115 -191.29930 10.81185 2.70324 -190.87768 870.16871
5330.0000 -199.62873 -191.62509 8.00364 2.66888 -191.52622 815.38152
5335.0000 -199.89446 -190.61235 9.28212 2.70179 -190.90494 834.29319
5340.0000 -199.62124 -189.72614 9.89510 2.72542 -190.45899 885.49939
5345.0000 -200.84012 -190.19575 10.64437 2.70309 -190.88053 866.50113
5350.0000 -199.96608 -192.30826 7.65782 2.71291 -190.69517 856.62731
5355.0000 -201.88322 -191.78195 10.10127 2.59665 -192.88943 809.28448
5360.0000 -198.70826 -190.83188 7.87638 2.72414 -190.48324 883.03467
5365.0000 -201.49153 -193.31797 8.17355 2.69577 -191.01866 862.44856
5370.0000 -200.85459 -190.58658 10.26801 2.64375 -192.00051 850.81511
5375.0000 -200.22169 -190.27632 9.94537 2.77049 -189.60829 931.71808
5380.0000 -201.95036 -191.73007 10.22029 2.65544 -191.77984 840.50159
5385.0000 -200.02270 -190.95707 9.06564 2.68640 -191.19544 840.55816
5390.0000 -199.43263 -191.74626 7.68636 2.69348 -191.06183 841.80412
5395.0000 -200.66227 -192.59943 8.06284 2.63742 -192.11998 834.92149
5400.0000 -199.02928 -189.91964 9.10964 2.70174 -190.90592 877.47824
5405.0000 -200.04709 -191.49262 8.55446 2.68325 -191.25500 849.78212
5410.0000 -199.62637 -192.49979 7.12659 2.67060 -191.49365 835.87753
5415.0000 -199.45274 -189.47597 9.97677 2.66099 -191.67502 825.70621
5420.0000 -199.77131 -190.65621 9.11510 2.73994 -190.18495 896.55017
5425.0000 -200.48383 -191.90860 8.57523 2.71450 -190.66511 864.62201
5430.0000 -200.86458 -190.53604 10.32854 2.71110 -190.72925 887.14385
5435.0000 -200.09133 -191.51727 8.57406 2.68047 -191.30738 850.24467
5440.0000 -200.39435 -191.12611 9.26824 2.65828 -191.72634 852.88382
5445.0000 -196.40919 -188.15966 8.24953 2.75682 -189.86637 897.03858
5450.0000 -201.28017 -190.60421 10.67596 2.77680 -189.48915 896.65350
5455.0000 -200.47273 -191.13752 9.33520 2.68887 -191.14890 878.02340
5460.0000 -198.82152 -189.36464 9.45688 2.73424 -190.29250 872.03300
5465.0000 -199.46362 -191.12649 8.33714 2.70955 -190.75860 855.15729
5470.0000 -201.53721 -193.33060 8.20661 2.61068 -192.62459 804.35828
5475.0000 -201.20921 -194.40242 6.80679 2.62048 -192.43976 812.29989
5480.0000 -201.67525 -193.60959 8.06566 2.54750 -193.81714 769.02738
5485.0000 -201.43982 -191.57266 9.86716 2.59774 -192.86889 808.16617
5490.0000 -201.31863 -192.65778 8.66085 2.63682 -192.13120 808.94529
5495.0000 -200.59773 -192.45344 8.14429 2.63996 -192.07197 822.38405
5500.0000 -198.96929 -190.19512 8.77417 2.70891 -190.77053 876.58574
MELTING PROCESS: loop number 23 T-loop= 889.00000000000000
main_MD> interactions number 23 at Temperature= 889.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.65442 -4.31672 -3.87463
force_rgl> df(natom) 0.96619 0.67609 1.74553
5505.0000 -198.65293 -189.22359 9.42934 2.77801 -189.46634 910.44070
5510.0000 -198.41353 -188.31458 10.09895 2.81344 -188.79773 936.94874
5515.0000 -198.53131 -189.62686 8.90445 2.77365 -189.54873 901.91136
5520.0000 -202.45451 -192.51752 9.93699 2.68395 -191.24180 844.87254
5525.0000 -202.16360 -193.46595 8.69764 2.62815 -192.29496 801.75039
5530.0000 -200.95623 -191.25441 9.70182 2.61989 -192.45089 839.87711
5535.0000 -198.79072 -189.21242 9.57830 2.74176 -190.15065 890.33536
5540.0000 -199.10263 -191.61616 7.48647 2.75805 -189.84308 910.91369
5545.0000 -200.41961 -191.23676 9.18285 2.63278 -192.20763 822.54504
5550.0000 -200.17321 -193.07347 7.09974 2.67539 -191.40330 847.35763
5555.0000 -200.27418 -191.69457 8.57960 2.64713 -191.93665 844.69346
5560.0000 -200.86388 -191.58206 9.28182 2.70119 -190.91632 856.41098
5565.0000 -200.06558 -191.04028 9.02530 2.66612 -191.57831 839.32369
5570.0000 -199.93470 -191.49063 8.44406 2.68509 -191.22021 850.37325
5575.0000 -199.21998 -190.42972 8.79026 2.72956 -190.38088 891.15838
5580.0000 -198.88118 -189.12772 9.75346 2.76318 -189.74635 909.54200
5585.0000 -200.29004 -191.03621 9.25384 2.73455 -190.28668 902.03142
5590.0000 -201.81844 -190.35617 11.46227 2.72022 -190.55718 883.18129
5595.0000 -199.64013 -189.43477 10.20536 2.78328 -189.36686 895.53084
5600.0000 -197.82209 -187.73444 10.08765 2.81662 -188.73766 940.51908
5605.0000 -199.12457 -190.59028 8.53429 2.80272 -188.99999 943.09408
5610.0000 -199.16625 -188.81945 10.34680 2.74875 -190.01863 908.48050
5615.0000 -198.37210 -188.23797 10.13413 2.82072 -188.66028 934.96761
5620.0000 -199.32069 -188.76222 10.55847 2.75498 -189.90104 882.11188
5625.0000 -198.99225 -190.28641 8.70584 2.75529 -189.89524 906.73948
5630.0000 -198.30757 -189.13202 9.17555 2.78011 -189.42684 943.92102
5635.0000 -200.18926 -188.90458 11.28468 2.77719 -189.48188 922.45250
5640.0000 -200.15836 -187.69664 12.46172 2.82363 -188.60540 954.04735
5645.0000 -198.25890 -188.55974 9.69915 2.83833 -188.32782 948.74815
5650.0000 -200.10908 -191.09177 9.01731 2.72165 -190.53024 865.96644
5655.0000 -199.32258 -190.70093 8.62165 2.68067 -191.30367 820.62110
5660.0000 -200.12143 -191.56198 8.55944 2.66517 -191.59611 852.45217
5665.0000 -201.13791 -190.28783 10.85008 2.68417 -191.23757 861.60702
5670.0000 -199.55067 -190.57966 8.97100 2.76183 -189.77188 904.45768
5675.0000 -200.22079 -189.62255 10.59824 2.78746 -189.28809 924.63067
5680.0000 -197.03905 -185.65642 11.38263 2.86602 -187.80531 964.22246
5685.0000 -198.55037 -186.74635 11.80402 2.95554 -186.11560 1006.88210
5690.0000 -196.41384 -186.85249 9.56134 2.90176 -187.13075 975.24077
5695.0000 -199.80155 -190.55466 9.24689 2.80393 -188.97709 928.97994
5700.0000 -199.78835 -190.14711 9.64124 2.77582 -189.50773 917.21109
5705.0000 -199.13391 -190.63770 8.49621 2.73734 -190.23397 872.03999
5710.0000 -199.43306 -189.90350 9.52956 2.72929 -190.38596 871.55042
5715.0000 -196.42807 -186.87055 9.55752 2.88256 -187.49306 951.45380
5720.0000 -197.06030 -187.98019 9.08011 2.87207 -187.69115 969.14500
5725.0000 -200.60418 -190.58993 10.01425 2.77948 -189.43871 915.65415
5730.0000 -199.37459 -189.12187 10.25272 2.77053 -189.60755 922.32692
5735.0000 -198.42149 -190.10475 8.31674 2.79310 -189.18166 896.41747
5740.0000 -197.60760 -189.12428 8.48331 2.80483 -188.96020 926.14448
5745.0000 -199.50572 -188.70613 10.79959 2.86946 -187.74037 968.38370
5750.0000 -199.27147 -190.18495 9.08652 2.74823 -190.02853 890.68792
MELTING PROCESS: loop number 24 T-loop= 914.00000000000000
main_MD> interactions number 24 at Temperature= 914.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.55747 -1.44450 -1.28723
force_rgl> df(natom) -1.27621 0.61622 -0.24649
5755.0000 -199.88070 -189.57308 10.30762 2.73288 -190.31822 881.65993
5760.0000 -201.07312 -192.77890 8.29422 2.65738 -191.74315 835.87056
5765.0000 -202.56594 -192.96006 9.60588 2.58889 -193.03602 798.82252
5770.0000 -200.02095 -191.76924 8.25171 2.62873 -192.28394 810.37211
5775.0000 -199.52052 -189.40975 10.11077 2.69607 -191.01302 860.78127
5780.0000 -198.54530 -188.89834 9.64696 2.75697 -189.86354 924.65122
5785.0000 -198.99007 -190.46476 8.52531 2.80040 -189.04385 895.25868
5790.0000 -201.28119 -190.63281 10.64838 2.75732 -189.85684 901.02485
5795.0000 -198.85598 -190.06934 8.78664 2.72776 -190.41488 894.26043
5800.0000 -198.24877 -189.01385 9.23492 2.79338 -189.17624 909.54638
5805.0000 -200.27919 -190.23433 10.04486 2.81074 -188.84858 929.95116
5810.0000 -199.36443 -190.23268 9.13175 2.77640 -189.49677 910.52624
5815.0000 -199.60709 -190.50844 9.09866 2.72548 -190.45784 851.08200
5820.0000 -198.41903 -187.49941 10.91962 2.76158 -189.77643 921.28929
5825.0000 -199.09625 -191.44483 7.65142 2.80192 -189.01518 930.46000
5830.0000 -199.99908 -190.40004 9.59904 2.70314 -190.87955 857.34112
5835.0000 -198.66560 -188.72056 9.94504 2.75810 -189.84222 911.48344
5840.0000 -200.15904 -189.07593 11.08310 2.81303 -188.80538 905.09314
5845.0000 -198.27523 -189.26155 9.01369 2.79709 -189.10619 914.83661
5850.0000 -198.36439 -188.74160 9.62280 2.78904 -189.25827 930.25842
5855.0000 -197.84180 -188.87172 8.97008 2.84255 -188.24832 941.16523
5860.0000 -197.93230 -188.37527 9.55703 2.87380 -187.65845 1002.72829
5865.0000 -199.07595 -189.06464 10.01132 2.79860 -189.07773 923.49753
5870.0000 -199.25415 -189.47653 9.77762 2.81702 -188.73014 958.89159
5875.0000 -197.86625 -185.19244 12.67381 2.87894 -187.56135 1004.58168
5880.0000 -198.34295 -187.14217 11.20077 2.91464 -186.88761 990.88308
5885.0000 -199.89276 -190.31292 9.57983 2.78478 -189.33870 902.92241
5890.0000 -198.78580 -189.74104 9.04477 2.80138 -189.02533 926.28050
5895.0000 -198.32724 -188.23128 10.09596 2.77425 -189.53729 932.12023
5900.0000 -198.48759 -189.53543 8.95216 2.81039 -188.85533 923.14876
5905.0000 -198.95406 -190.05312 8.90094 2.78786 -189.28045 918.49252
5910.0000 -198.54684 -190.17243 8.37441 2.71416 -190.67158 862.78621
5915.0000 -198.86812 -189.23019 9.63793 2.73652 -190.24950 866.22116
5920.0000 -199.19182 -188.94236 10.24946 2.77628 -189.49897 934.11063
5925.0000 -197.86403 -187.92852 9.93551 2.86698 -187.78715 974.53046
5930.0000 -197.91847 -186.88770 11.03077 2.88044 -187.53317 976.76441
5935.0000 -197.29182 -187.84994 9.44189 2.89784 -187.20467 986.98019
5940.0000 -199.64658 -189.14440 10.50217 2.83168 -188.45346 915.16531
5945.0000 -199.90387 -190.35927 9.54460 2.76947 -189.62757 898.19852
5950.0000 -199.58147 -190.49853 9.08295 2.72150 -190.53292 876.63213
5955.0000 -199.58723 -188.98190 10.60533 2.70701 -190.80657 849.33414
5960.0000 -198.23100 -187.16694 11.06405 2.82251 -188.62644 958.72377
5965.0000 -202.19255 -190.30362 11.88893 2.79517 -189.14250 946.49947
5970.0000 -198.78001 -188.69239 10.08762 2.74343 -190.11911 892.68953
5975.0000 -199.48252 -190.76594 8.71658 2.76948 -189.62740 899.32902
5980.0000 -201.71405 -192.01290 9.70116 2.70181 -190.90464 888.19825
5985.0000 -200.41313 -190.20412 10.20900 2.72753 -190.41925 864.86403
5990.0000 -199.88534 -190.81398 9.07136 2.76472 -189.71722 914.38995
5995.0000 -199.16487 -190.58687 8.57800 2.76104 -189.78677 921.90240
6000.0000 -200.28911 -190.31602 9.97309 2.72671 -190.43470 883.61655
MELTING PROCESS: loop number 25 T-loop= 939.00000000000000
main_MD> interactions number 25 at Temperature= 939.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.28885 -0.48092 1.33433
force_rgl> df(natom) 0.21608 -1.30333 1.91206
6005.0000 -197.68193 -185.99800 11.68394 2.86233 -187.87482 993.66780
6010.0000 -198.99328 -188.45457 10.53871 2.87325 -187.66870 1017.61356
6015.0000 -199.23091 -189.75091 9.48000 2.77353 -189.55103 932.46577
6020.0000 -197.83339 -188.60294 9.23045 2.78995 -189.24102 916.59723
6025.0000 -198.69005 -187.99878 10.69128 2.84717 -188.16111 975.89228
6030.0000 -198.03337 -190.06197 7.97140 2.81208 -188.82336 910.55741
6035.0000 -201.74175 -191.17930 10.56244 2.70986 -190.75275 895.82051
6040.0000 -201.33754 -191.61217 9.72537 2.73147 -190.34475 870.30218
6045.0000 -199.72667 -189.22724 10.49944 2.76631 -189.68714 902.22944
6050.0000 -198.47612 -188.54552 9.93060 2.88968 -187.35876 981.54756
6055.0000 -198.87140 -188.83339 10.03801 2.77415 -189.53924 910.90183
6060.0000 -197.42676 -187.48328 9.94348 2.81623 -188.74494 952.81763
6065.0000 -199.92833 -189.19254 10.73578 2.82862 -188.51107 952.25234
6070.0000 -198.11718 -189.06118 9.05601 2.77568 -189.51045 905.72945
6075.0000 -198.55296 -187.90342 10.64954 2.81607 -188.74802 961.04859
6080.0000 -198.80176 -187.58689 11.21487 2.89336 -187.28921 984.24016
6085.0000 -199.44424 -188.51563 10.92861 2.83783 -188.33740 958.22260
6090.0000 -201.36354 -191.43185 9.93169 2.79423 -189.16016 924.37033
6095.0000 -201.45744 -192.34260 9.11484 2.69847 -190.96771 875.02003
6100.0000 -199.81151 -190.37762 9.43389 2.66941 -191.51623 828.92748
6105.0000 -198.26404 -188.75685 9.50719 2.82739 -188.53441 955.06185
6110.0000 -199.84164 -190.77952 9.06212 2.76095 -189.78834 893.86780
6115.0000 -200.16418 -190.51297 9.65121 2.75478 -189.90493 892.38017
6120.0000 -198.59276 -190.23637 8.35639 2.71902 -190.57989 877.30011
6125.0000 -197.87633 -187.87732 9.99901 2.83182 -188.45078 929.30162
6130.0000 -197.02124 -186.74832 10.27292 2.94782 -186.26132 1019.73386
6135.0000 -196.01919 -184.86516 11.15403 2.97423 -185.76293 1049.42306
6140.0000 -197.20224 -186.06810 11.13414 2.98943 -185.47590 1075.93007
6145.0000 -198.46612 -188.09815 10.36797 2.88738 -187.40215 953.38950
6150.0000 -197.72865 -184.81905 12.90960 2.92774 -186.64022 997.89001
6155.0000 -196.72808 -185.83731 10.89077 3.00063 -185.26464 1039.16331
6160.0000 -197.21845 -185.19237 12.02608 3.00293 -185.22109 1036.38665
6165.0000 -198.29833 -188.55111 9.74722 2.94208 -186.36958 989.22143
6170.0000 -197.93748 -189.66277 8.27471 2.81298 -188.80645 933.43953
6175.0000 -199.51392 -189.52705 9.98687 2.75982 -189.80966 887.28743
6180.0000 -197.94347 -189.35022 8.59325 2.83565 -188.37850 958.87323
6185.0000 -197.84306 -189.41385 8.42922 2.79454 -189.15440 918.10717
6190.0000 -199.00123 -190.11016 8.89107 2.75662 -189.87019 888.83311
6195.0000 -200.95363 -191.64531 9.30832 2.67722 -191.36885 877.69147
6200.0000 -197.42402 -187.57731 9.84671 2.81665 -188.73715 942.94461
6205.0000 -198.37958 -188.23263 10.14695 2.81955 -188.68244 916.29452
6210.0000 -197.11640 -187.70848 9.40792 2.92948 -186.60750 982.02968
6215.0000 -198.92414 -187.92292 11.00122 2.83180 -188.45117 952.87961
6220.0000 -198.34369 -187.73921 10.60449 2.90527 -187.06438 988.89673
6225.0000 -199.23261 -189.71819 9.51442 2.77433 -189.53584 918.94124
6230.0000 -198.19922 -185.93230 12.26692 2.83669 -188.35881 942.58090
6235.0000 -197.61072 -186.41194 11.19878 2.95121 -186.19728 1026.74506
6240.0000 -197.89601 -188.20956 9.68644 2.87270 -187.67914 955.33623
6245.0000 -200.70910 -190.51705 10.19205 2.72351 -190.49503 887.02534
6250.0000 -200.06331 -190.34937 9.71394 2.70558 -190.83349 876.66759
MELTING PROCESS: loop number 26 T-loop= 964.00000000000000
main_MD> interactions number 26 at Temperature= 964.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.32507 0.05365 -0.72446
force_rgl> df(natom) -3.12262 4.29473 -5.18447
6255.0000 -198.02091 -187.18869 10.83222 2.81977 -188.67829 952.16756
6260.0000 -198.69317 -186.87161 11.82156 2.92778 -186.63947 1010.92580
6265.0000 -198.54352 -187.44645 11.09707 2.88884 -187.37458 1019.60559
6270.0000 -196.90476 -186.51220 10.39256 2.91692 -186.84462 991.68012
6275.0000 -196.83143 -185.63199 11.19944 2.98333 -185.59106 1042.43755
6280.0000 -198.43778 -187.74780 10.68998 2.92790 -186.63722 1018.35666
6285.0000 -197.51101 -186.78361 10.72740 2.93859 -186.43545 1003.45147
6290.0000 -197.82819 -188.38718 9.44101 2.92924 -186.61199 1005.87017
6295.0000 -197.10463 -188.81251 8.29212 2.77185 -189.58275 900.54356
6300.0000 -198.28190 -188.30287 9.97903 2.85246 -188.06126 940.49473
6305.0000 -198.71044 -189.70674 9.00370 2.77530 -189.51754 926.75676
6310.0000 -199.00639 -188.47621 10.53019 2.80172 -189.01889 948.03295
6315.0000 -196.66715 -186.20216 10.46499 2.90591 -187.05232 1009.53882
6320.0000 -197.25841 -188.15161 9.10680 2.89971 -187.16934 998.30148
6325.0000 -199.94158 -189.69934 10.24223 2.80381 -188.97934 933.33672
6330.0000 -200.51425 -191.06269 9.45156 2.79313 -189.18102 935.73979
6335.0000 -199.24326 -189.21759 10.02567 2.72979 -190.37655 893.99630
6340.0000 -198.18409 -188.28994 9.89416 2.79862 -189.07735 939.53652
6345.0000 -198.86087 -189.50983 9.35103 2.79454 -189.15441 925.43791
6350.0000 -198.00792 -188.02988 9.97804 2.83113 -188.46383 923.87707
6355.0000 -197.62703 -186.63686 10.99017 2.89878 -187.18701 1008.47945
6360.0000 -198.29219 -186.47201 11.82017 2.91076 -186.96086 992.78951
6365.0000 -199.76664 -190.85230 8.91434 2.82941 -188.49628 945.15887
6370.0000 -199.76428 -189.96711 9.79717 2.74396 -190.10900 898.02139
6375.0000 -200.01828 -191.26711 8.75118 2.75932 -189.81908 924.85065
6380.0000 -201.43733 -191.28377 10.15356 2.68392 -191.24233 851.24704
6385.0000 -198.05307 -186.68874 11.36433 2.80082 -189.03588 934.66746
6390.0000 -197.50653 -186.69839 10.80815 2.92403 -186.71026 1007.64784
6395.0000 -198.27747 -186.30878 11.96869 2.96886 -185.86423 1025.22452
6400.0000 -198.78751 -187.74679 11.04072 2.90154 -187.13476 999.16799
6405.0000 -198.91326 -187.50895 11.40431 2.88500 -187.44704 994.31795
6410.0000 -199.00954 -188.31465 10.69489 2.81806 -188.71040 952.06751
6415.0000 -195.33851 -184.70218 10.63634 2.94185 -186.37400 1014.26503
6420.0000 -198.23836 -187.93396 10.30440 2.93732 -186.45957 1002.81997
6425.0000 -200.25388 -189.48811 10.76577 2.88342 -187.47674 992.82687
6430.0000 -196.94510 -186.76680 10.17830 2.82090 -188.65682 941.50807
6435.0000 -198.47092 -187.16770 11.30322 2.89662 -187.22774 980.12329
6440.0000 -197.53618 -188.35605 9.18013 2.87247 -187.68342 987.67264
6445.0000 -198.70544 -187.57047 11.13497 2.84598 -188.18346 940.51983
6450.0000 -199.19195 -188.83068 10.36126 2.84238 -188.25149 966.14849
6455.0000 -200.09916 -190.12248 9.97668 2.78563 -189.32251 920.97427
6460.0000 -197.44745 -187.94752 9.49993 2.73859 -190.21041 888.14420
6465.0000 -197.48061 -186.80497 10.67563 2.92688 -186.65656 1002.53251
6470.0000 -196.64045 -186.00545 10.63500 2.89328 -187.29072 969.11975
6475.0000 -198.76392 -188.86184 9.90208 2.85597 -187.99502 957.55739
6480.0000 -197.42684 -188.09767 9.32917 2.81431 -188.78131 946.71589
6485.0000 -196.44361 -186.87887 9.56474 2.89091 -187.33547 990.61409
6490.0000 -196.90647 -185.60181 11.30466 2.96597 -185.91873 1036.68812
6495.0000 -197.41606 -185.06018 12.35588 2.99983 -185.27958 1080.25565
6500.0000 -196.93230 -187.11828 9.81402 2.96691 -185.90100 1067.03760
MELTING PROCESS: loop number 27 T-loop= 989.00000000000000
main_MD> interactions number 27 at Temperature= 989.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.11426 -1.31919 0.89121
force_rgl> df(natom) 5.39846 -2.79993 0.17573
6505.0000 -197.12466 -186.39177 10.73289 2.92211 -186.74667 1000.84127
6510.0000 -196.39297 -186.57062 9.82234 2.91732 -186.83693 1003.63500
6515.0000 -197.42429 -188.63738 8.78691 2.86999 -187.73028 970.35000
6520.0000 -195.53989 -184.51357 11.02633 2.96987 -185.84521 1034.09024
6525.0000 -194.86397 -185.06252 9.80144 3.06699 -184.01210 1080.64504
6530.0000 -195.46742 -185.09405 10.37336 2.99158 -185.43528 982.66470
6535.0000 -197.11718 -185.10888 12.00830 2.98247 -185.60732 1043.35509
6540.0000 -196.62689 -186.01226 10.61463 3.01768 -184.94267 1071.25423
6545.0000 -196.59641 -185.80150 10.79492 2.93996 -186.40962 1040.11089
6550.0000 -200.68573 -190.55755 10.12818 2.87165 -187.69896 993.93220
6555.0000 -197.95917 -188.41598 9.54319 2.73281 -190.31962 890.97108
6560.0000 -199.61937 -189.40491 10.21446 2.84549 -188.19269 968.77048
6565.0000 -200.03098 -188.62837 11.40260 2.79425 -189.15985 946.19150
6570.0000 -200.51689 -191.07736 9.43954 2.81310 -188.80413 932.60564
6575.0000 -199.74706 -189.35605 10.39100 2.79496 -189.14649 934.73707
6580.0000 -198.33249 -186.77361 11.55888 2.85727 -187.97049 969.29235
6585.0000 -196.12369 -184.50451 11.61918 2.98087 -185.63751 1032.55582
6590.0000 -196.89035 -186.60801 10.28234 2.94855 -186.24762 1010.99788
6595.0000 -197.16592 -186.89292 10.27300 2.87779 -187.58317 977.49449
6600.0000 -197.93090 -187.09373 10.83717 2.95772 -186.07438 1027.19503
6605.0000 -198.27983 -188.86670 9.41313 2.85057 -188.09694 974.68994
6610.0000 -198.21253 -187.84370 10.36883 2.83543 -188.38268 952.27074
6615.0000 -196.79379 -187.12206 9.67173 2.88882 -187.37500 976.58214
6620.0000 -193.25005 -183.85693 9.39312 2.98698 -185.52223 1051.15032
6625.0000 -198.35487 -187.63474 10.72013 2.95912 -186.04798 1030.69944
6630.0000 -194.98473 -186.30902 8.67571 2.89103 -187.33325 965.22470
6635.0000 -196.00442 -186.42318 9.58124 2.96995 -185.84360 1019.95155
6640.0000 -196.35231 -186.81519 9.53712 2.97975 -185.65857 1015.52452
6645.0000 -197.90519 -187.49667 10.40853 2.91341 -186.91083 980.79244
6650.0000 -196.37554 -185.98649 10.38905 2.86894 -187.75009 979.73740
6655.0000 -195.65936 -185.99686 9.66250 2.97083 -185.82701 1027.11632
6660.0000 -196.60196 -185.89457 10.70739 3.02760 -184.75552 1067.48338
6665.0000 -197.38705 -186.75876 10.62829 2.88301 -187.48449 953.51228
6670.0000 -197.91496 -187.47891 10.43604 2.94516 -186.31147 1023.06742
6675.0000 -197.77403 -187.04054 10.73350 2.86202 -187.88071 933.22678
6680.0000 -196.65933 -183.80285 12.85648 2.95191 -186.18405 1012.81153
6685.0000 -195.44017 -185.27991 10.16026 3.05551 -184.22873 1097.64529
6690.0000 -197.56679 -187.71496 9.85183 2.93364 -186.52899 989.97616
6695.0000 -199.05596 -189.01690 10.03906 2.80233 -189.00738 918.84920
6700.0000 -197.04974 -187.19356 9.85618 2.92526 -186.68711 994.30886
6705.0000 -199.27798 -188.87686 10.40112 2.86050 -187.90938 1012.24942
6710.0000 -197.45548 -188.18910 9.26638 2.82410 -188.59655 940.51311
6715.0000 -196.76508 -187.17809 9.58699 2.88356 -187.47417 978.30565
6720.0000 -197.39415 -187.87606 9.51809 2.89143 -187.32566 981.42125
6725.0000 -197.86243 -188.19278 9.66965 2.88207 -187.50233 960.82943
6730.0000 -199.28938 -190.12350 9.16588 2.79354 -189.17322 913.73475
6735.0000 -196.81610 -186.00816 10.80794 2.85096 -188.08945 965.69974
6740.0000 -197.84879 -186.92119 10.92761 2.95675 -186.09274 1036.02255
6745.0000 -197.04086 -186.68566 10.35520 2.89589 -187.24149 999.77480
6750.0000 -197.29579 -186.59145 10.70435 2.93962 -186.41600 1023.79716
MELTING PROCESS: loop number 28 T-loop= 1014.0000000000000
main_MD> interactions number 28 at Temperature= 1014.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.64178 -1.89635 -2.24113
force_rgl> df(natom) -3.56003 -1.30817 -2.83633
6755.0000 -196.56166 -186.47086 10.09080 2.91471 -186.88634 1003.86655
6760.0000 -197.85780 -187.16613 10.69167 2.92765 -186.64202 1009.05220
6765.0000 -194.93617 -185.06116 9.87501 2.92652 -186.66328 1014.38032
6770.0000 -197.51249 -186.66373 10.84877 2.96423 -185.95154 1036.28091
6775.0000 -196.16566 -183.92382 12.24185 3.05147 -184.30502 1111.38410
6780.0000 -196.99132 -186.93241 10.05891 3.01638 -184.96722 1048.74236
6785.0000 -192.90153 -181.38213 11.51941 3.04562 -184.41539 1062.41795
6790.0000 -195.41171 -182.19435 13.21736 3.20510 -181.40536 1159.16455
6795.0000 -198.00150 -186.47485 11.52665 3.09738 -183.43841 1110.88171
6800.0000 -196.93447 -185.73076 11.20371 2.99380 -185.39344 1036.13946
6805.0000 -196.74811 -186.37882 10.36929 2.91166 -186.94388 992.91458
6810.0000 -197.99113 -188.37720 9.61393 2.91739 -186.83562 1001.42402
6815.0000 -199.00952 -189.17598 9.83353 2.78054 -189.41870 908.11460
6820.0000 -196.41368 -184.89067 11.52301 2.87345 -187.66509 980.84140
6825.0000 -195.19632 -184.71928 10.47703 3.00326 -185.21493 1061.85602
6830.0000 -196.03566 -182.99451 13.04115 3.11202 -183.16218 1103.84835
6835.0000 -197.49857 -185.32161 12.17696 3.04061 -184.50987 1080.85024
6840.0000 -194.31983 -183.27024 11.04959 3.00114 -185.25494 1033.82798
6845.0000 -196.06040 -185.29460 10.76581 2.97969 -185.65973 1028.24686
6850.0000 -195.89026 -185.63477 10.25549 2.94314 -186.34971 1000.84503
6855.0000 -194.81610 -183.33468 11.48142 3.07733 -183.81696 1086.83609
6860.0000 -196.58216 -186.79399 9.78817 3.00539 -185.17467 1051.48595
6865.0000 -195.13384 -184.97468 10.15916 2.97389 -185.76934 1027.74388
6870.0000 -195.44931 -182.31096 13.13835 3.13644 -182.70125 1153.21438
6875.0000 -196.05567 -184.67082 11.38485 3.09227 -183.53486 1108.22307
6880.0000 -196.93957 -184.88516 12.05442 3.03690 -184.57998 1081.96228
6885.0000 -197.86179 -187.03922 10.82257 2.91440 -186.89207 977.55959
6890.0000 -195.05653 -185.26273 9.79380 2.98910 -185.48212 1024.00138
6895.0000 -196.53984 -185.66229 10.87755 2.93341 -186.53338 991.58819
6900.0000 -199.04796 -187.54564 11.50232 2.92093 -186.76890 1035.71643
6905.0000 -197.35230 -186.82016 10.53214 2.92575 -186.67784 991.97964
6910.0000 -197.00498 -186.93277 10.07222 2.91556 -186.87013 1012.17034
6915.0000 -198.54475 -186.24883 12.29592 2.93765 -186.45326 1023.56494
6920.0000 -197.69913 -187.26255 10.43658 2.92693 -186.65564 1001.58306
6925.0000 -195.58779 -184.34255 11.24523 2.96273 -185.97988 1030.31241
6930.0000 -196.37015 -185.36121 11.00894 3.03297 -184.65421 1097.24696
6935.0000 -195.00241 -183.14558 11.85683 3.02410 -184.82159 1069.81583
6940.0000 -199.45598 -186.75648 12.69949 2.98378 -185.58257 1068.57890
6945.0000 -197.71044 -186.92058 10.78986 2.93214 -186.55731 1031.17220
6950.0000 -196.89726 -187.15088 9.74638 2.92834 -186.62906 1027.12533
6955.0000 -197.79504 -188.21011 9.58492 2.86972 -187.73550 948.32894
6960.0000 -201.01563 -190.52312 10.49251 2.79110 -189.21926 940.51385
6965.0000 -201.42776 -191.22490 10.20286 2.73007 -190.37123 918.90321
6970.0000 -198.11818 -188.71217 9.40601 2.75370 -189.92532 909.07444
6975.0000 -198.12385 -187.09962 11.02422 2.85131 -188.08284 967.23220
6980.0000 -198.03525 -187.66177 10.37347 2.86446 -187.83470 977.98513
6985.0000 -199.96980 -189.02491 10.94489 2.77716 -189.48236 899.38811
6990.0000 -198.98935 -188.46330 10.52605 2.86738 -187.77958 958.54847
6995.0000 -199.64654 -188.76946 10.87708 2.79676 -189.11241 911.75718
7000.0000 -198.62384 -187.57388 11.04996 2.85205 -188.06891 980.37981
MELTING PROCESS: loop number 29 T-loop= 1039.0000000000000
main_MD> interactions number 29 at Temperature= 1039.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.97465 0.94332 3.81825
force_rgl> df(natom) 2.22982 -0.02772 -2.68416
7005.0000 -197.86515 -186.77733 11.08782 2.90608 -187.04904 983.41438
7010.0000 -195.85058 -185.50014 10.35044 2.93924 -186.42317 1002.52406
7015.0000 -196.72843 -187.05935 9.66908 3.02327 -184.83725 1078.37443
7020.0000 -198.06042 -185.54815 12.51227 2.91549 -186.87157 998.47739
7025.0000 -197.28565 -182.92117 14.36449 3.06033 -184.13766 1089.89117
7030.0000 -196.57343 -185.04205 11.53138 3.05754 -184.19049 1099.69346
7035.0000 -196.63886 -185.60301 11.03585 3.00346 -185.21115 1059.49176
7040.0000 -196.92681 -185.66580 11.26102 2.92526 -186.68710 1005.21339
7045.0000 -197.63111 -185.95209 11.67902 2.95266 -186.17002 1043.91968
7050.0000 -197.24291 -187.40673 9.83618 2.96740 -185.89173 1012.76737
7055.0000 -198.16402 -186.20932 11.95471 2.90160 -187.13368 1013.54692
7060.0000 -198.87951 -188.06008 10.81943 2.85022 -188.10350 946.51572
7065.0000 -197.44819 -187.54489 9.90330 2.87468 -187.64184 983.52045
7070.0000 -198.22055 -187.54423 10.67632 2.87575 -187.62161 967.42111
7075.0000 -198.48058 -185.92435 12.55623 2.91753 -186.83303 1016.14716
7080.0000 -195.91615 -186.33982 9.57633 2.92885 -186.61941 1000.28889
7085.0000 -197.26099 -184.77498 12.48601 3.02277 -184.84666 1121.27508
7090.0000 -196.83994 -186.21433 10.62561 2.93600 -186.48443 1031.14463
7095.0000 -194.66318 -184.32649 10.33669 3.03925 -184.53553 1065.39120
7100.0000 -196.79472 -185.46655 11.32817 3.06359 -184.07612 1110.07059
7105.0000 -195.06470 -183.98425 11.08044 3.04387 -184.44839 1066.78312
7110.0000 -195.67200 -184.70921 10.96279 3.01402 -185.01175 1050.32078
7115.0000 -196.29564 -184.95908 11.33656 3.02855 -184.73767 1065.40157
7120.0000 -194.96080 -184.60942 10.35138 3.06492 -184.05110 1086.22243
7125.0000 -197.12075 -185.79641 11.32434 3.01602 -184.97407 1060.55787
7130.0000 -197.46494 -187.57621 9.88874 2.98352 -185.58755 1037.97112
7135.0000 -197.21846 -186.30923 10.90923 2.93480 -186.50715 1002.09665
7140.0000 -196.92983 -185.08297 11.84685 2.94650 -186.28621 1013.76829
7145.0000 -196.91278 -186.12755 10.78523 2.91469 -186.88664 980.79977
7150.0000 -196.97329 -187.45836 9.51493 2.94258 -186.36030 1015.67818
7155.0000 -199.21070 -188.15931 11.05139 2.85770 -187.96231 968.73210
7160.0000 -200.92278 -190.25570 10.66708 2.82471 -188.58493 955.21985
7165.0000 -198.52198 -188.68737 9.83461 2.76114 -189.78484 914.44540
7170.0000 -197.77327 -186.99991 10.77335 2.84708 -188.16270 974.26897
7175.0000 -198.14823 -186.83279 11.31543 2.93305 -186.54012 983.30240
7180.0000 -194.72846 -182.28675 12.44172 3.04954 -184.34142 1108.86305
7185.0000 -198.28115 -186.07106 12.21009 3.01977 -184.90322 1067.85374
7190.0000 -197.11421 -185.93968 11.17453 3.02165 -184.86790 1087.04144
7195.0000 -196.24106 -184.54953 11.69153 3.00812 -185.12324 1051.22985
7200.0000 -196.32001 -184.80757 11.51244 3.00416 -185.19794 1054.14137
7205.0000 -195.35790 -181.01869 14.33921 3.13146 -182.79519 1131.83734
7210.0000 -193.07535 -182.76550 10.30985 3.14775 -182.48781 1136.67114
7215.0000 -195.86759 -183.75710 12.11049 3.06810 -183.99101 1106.51083
7220.0000 -196.10919 -184.10826 12.00092 3.05532 -184.23225 1085.01240
7225.0000 -195.43310 -185.00390 10.42921 3.02992 -184.71165 1052.10720
7230.0000 -196.27197 -185.34557 10.92640 2.98614 -185.53799 1048.51448
7235.0000 -193.94289 -183.06210 10.88079 3.05233 -184.28874 1079.00191
7240.0000 -194.62702 -183.64739 10.97963 3.04275 -184.46948 1076.07521
7245.0000 -195.03638 -182.99935 12.03704 3.05809 -184.18011 1097.57523
7250.0000 -196.34198 -183.69894 12.64304 3.15491 -182.35268 1162.26030
MELTING PROCESS: loop number 30 T-loop= 1064.0000000000000
main_MD> interactions number 30 at Temperature= 1064.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.21852 -1.52920 1.74700
force_rgl> df(natom) -0.57517 -0.62792 0.25742
7255.0000 -197.09085 -185.57964 11.51121 3.01559 -184.98225 1070.10992
7260.0000 -194.93103 -185.27923 9.65181 2.99937 -185.28833 1052.39829
7265.0000 -194.12099 -183.51497 10.60602 3.03640 -184.58943 1096.58128
7270.0000 -194.52029 -183.03374 11.48655 3.11698 -183.06857 1136.36242
7275.0000 -196.47942 -183.85049 12.62893 3.10210 -183.34936 1102.01410
7280.0000 -197.00808 -185.89117 11.11691 2.96756 -185.88866 1026.54737
7285.0000 -197.32653 -185.52335 11.80318 2.99472 -185.37609 1070.02498
7290.0000 -196.04968 -186.45998 9.58970 2.99818 -185.31082 1049.94433
7295.0000 -197.45400 -185.00156 12.45245 2.95404 -186.14383 1030.64071
7300.0000 -196.54424 -184.52703 12.01721 3.02655 -184.77530 1080.33362
7305.0000 -197.71938 -186.61441 11.10498 3.02225 -184.85639 1075.37564
7310.0000 -195.78827 -184.37365 11.41462 2.98769 -185.50881 1029.47309
7315.0000 -195.28671 -185.05592 10.23078 2.99780 -185.31803 1050.80527
7320.0000 -195.93669 -185.46195 10.47473 3.06007 -184.14264 1090.93664
7325.0000 -196.30964 -186.34484 9.96480 3.00329 -185.21439 1065.71638
7330.0000 -194.50735 -182.55001 11.95734 3.08969 -183.58357 1134.91246
7335.0000 -195.84452 -185.22256 10.62196 3.05595 -184.22034 1096.70145
7340.0000 -197.05356 -186.48194 10.57161 2.98758 -185.51093 1038.05589
7345.0000 -198.25286 -186.60894 11.64392 2.96092 -186.01412 1042.84281
7350.0000 -195.84857 -186.93185 8.91672 2.92392 -186.71247 1005.25234
7355.0000 -199.56859 -188.72336 10.84524 2.80462 -188.96406 927.54506
7360.0000 -196.26223 -184.32378 11.93845 2.89894 -187.18390 1020.45363
7365.0000 -195.97454 -184.16747 11.80707 3.00968 -185.09383 1056.48160
7370.0000 -194.81331 -184.28467 10.52864 2.99959 -185.28419 1032.40511
7375.0000 -196.23910 -185.24432 10.99477 3.06301 -184.08718 1104.48817
7380.0000 -195.66456 -185.31473 10.34983 2.98219 -185.61253 1029.49077
7385.0000 -195.99027 -184.26415 11.72612 2.98260 -185.60477 1053.49457
7390.0000 -196.12499 -184.45603 11.66895 3.03395 -184.63560 1102.51266
7395.0000 -195.01506 -183.54726 11.46780 3.06679 -184.01589 1081.83583
7400.0000 -196.04422 -183.42498 12.61923 3.08210 -183.72688 1105.58691
7405.0000 -194.90964 -185.11550 9.79414 3.07237 -183.91051 1119.06641
7410.0000 -194.62808 -183.56219 11.06589 3.03351 -184.64389 1042.04828
7415.0000 -195.31453 -183.43974 11.87479 3.06656 -184.02024 1091.48030
7420.0000 -196.44810 -183.89575 12.55235 3.07683 -183.82636 1102.96831
7425.0000 -194.20803 -183.32097 10.88706 3.08941 -183.58878 1088.12986
7430.0000 -196.91490 -184.91993 11.99497 3.12448 -182.92694 1091.42483
7435.0000 -197.60963 -185.63337 11.97626 2.97177 -185.80931 1002.42794
7440.0000 -195.93021 -184.46652 11.46369 3.04295 -184.46580 1128.52866
7445.0000 -193.15645 -182.40723 10.74922 3.08418 -183.68749 1116.65926
7450.0000 -195.59789 -185.32086 10.27702 3.13795 -182.67270 1109.17061
7455.0000 -196.89141 -184.71437 12.17704 3.03648 -184.58786 1036.06957
7460.0000 -195.22998 -182.45278 12.77720 3.06237 -184.09927 1128.59132
7465.0000 -198.00455 -186.20616 11.79839 3.06584 -184.03380 1083.22885
7470.0000 -199.04324 -187.17825 11.86499 2.94714 -186.27417 1006.33392
7475.0000 -197.44361 -188.01138 9.43223 2.94176 -186.37568 1013.89868
7480.0000 -195.74417 -185.53519 10.20898 2.84594 -188.18430 956.11106
7485.0000 -197.76583 -184.59272 13.17311 3.02614 -184.78299 1099.72374
7490.0000 -194.73594 -183.11290 11.62305 3.07269 -183.90437 1122.24565
7495.0000 -196.71064 -186.31024 10.40040 3.02361 -184.83087 1061.95516
7500.0000 -196.45439 -183.64383 12.81057 2.98630 -185.53501 1050.90573
MELTING PROCESS: loop number 31 T-loop= 1089.0000000000000
main_MD> interactions number 31 at Temperature= 1089.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.20119 -1.73330 3.58219
force_rgl> df(natom) 0.39902 0.34575 4.61446
7505.0000 -196.40284 -185.38286 11.01998 3.02881 -184.73259 1088.03374
7510.0000 -195.33493 -182.89130 12.44363 3.03509 -184.61411 1080.76493
7515.0000 -194.03904 -181.48216 12.55688 3.14309 -182.57575 1151.02590
7520.0000 -195.13663 -182.53142 12.60522 3.18093 -181.86155 1167.56119
7525.0000 -194.80933 -183.07052 11.73880 3.12933 -182.83544 1142.48753
7530.0000 -193.89433 -181.92758 11.96675 3.13275 -182.77081 1094.38666
7535.0000 -195.04579 -181.93753 13.10826 3.23125 -180.91168 1190.12261
7540.0000 -195.50685 -184.34812 11.15872 3.18231 -181.83544 1199.19198
7545.0000 -194.85947 -183.09920 11.76026 3.08926 -183.59166 1119.18779
7550.0000 -196.34610 -184.22872 12.11738 3.10501 -183.29451 1133.90657
7555.0000 -195.00003 -182.15999 12.84005 3.10411 -183.31144 1133.95052
7560.0000 -193.33097 -181.88029 11.45068 3.16818 -182.10214 1165.74996
7565.0000 -195.53821 -184.54438 10.99384 3.11311 -183.14163 1136.16542
7570.0000 -196.15330 -184.09643 12.05686 3.04174 -184.48864 1076.13026
7575.0000 -194.57915 -182.96747 11.61168 3.08803 -183.61500 1121.55399
7580.0000 -194.82688 -185.18709 9.63978 3.04637 -184.40119 1083.56709
7585.0000 -198.05362 -186.78704 11.26657 3.01708 -184.95408 1055.13276
7590.0000 -196.68336 -185.00380 11.67956 2.98456 -185.56788 1032.46057
7595.0000 -198.53465 -184.54470 13.98995 3.03432 -184.62872 1084.50532
7600.0000 -196.80938 -185.82244 10.98694 3.03287 -184.65613 1067.20342
7605.0000 -196.31176 -185.27099 11.04077 2.95690 -186.08995 1052.20753
7610.0000 -195.03214 -182.65189 12.38024 3.07213 -183.91510 1104.58605
7615.0000 -195.99693 -185.93128 10.06564 2.99151 -185.43666 1035.13225
7620.0000 -198.37564 -186.35535 12.02029 2.92134 -186.76110 1000.67839
7625.0000 -196.73959 -183.99859 12.74100 3.02278 -184.84654 1075.37861
7630.0000 -196.19353 -184.13015 12.06338 3.06936 -183.96727 1117.77696
7635.0000 -196.06140 -185.09586 10.96554 3.02953 -184.71905 1101.73086
7640.0000 -195.25540 -183.51579 11.73962 3.06828 -183.98765 1118.11839
7645.0000 -193.65257 -183.16808 10.48448 3.08777 -183.61981 1101.41123
7650.0000 -197.33299 -186.02157 11.31142 3.07679 -183.82700 1129.02068
7655.0000 -196.84547 -185.67849 11.16697 2.98672 -185.52714 1065.04224
7660.0000 -195.80630 -185.31259 10.49371 3.04270 -184.47056 1077.58794
7665.0000 -196.16594 -185.76327 10.40267 2.99076 -185.45085 1030.46430
7670.0000 -197.03949 -188.04013 8.99937 2.96551 -185.92751 1040.62458
7675.0000 -198.10822 -187.89788 10.21034 2.90201 -187.12595 1008.06542
7680.0000 -196.77499 -186.39538 10.37961 2.84664 -188.17101 937.47807
7685.0000 -195.56564 -186.16398 9.40165 2.92508 -186.69055 989.61256
7690.0000 -195.15332 -184.86592 10.28740 2.96324 -185.97034 1047.21711
7695.0000 -194.88420 -185.03876 9.84544 3.07841 -183.79656 1119.77837
7700.0000 -196.65538 -183.44513 13.21026 3.05622 -184.21531 1099.20875
7705.0000 -193.77668 -181.48441 12.29227 3.15706 -182.31193 1140.34772
7710.0000 -196.44402 -184.41817 12.02585 3.11140 -183.17381 1121.13954
7715.0000 -196.85370 -183.46665 13.38705 3.07148 -183.92722 1076.19896
7720.0000 -196.68895 -183.77794 12.91101 3.15177 -182.41191 1138.74105
7725.0000 -194.99817 -182.99764 12.00054 3.13762 -182.67894 1148.31721
7730.0000 -195.95653 -184.74838 11.20815 3.09215 -183.53724 1096.10912
7735.0000 -195.97443 -185.28634 10.68810 3.06459 -184.05725 1088.79702
7740.0000 -194.41908 -181.96756 12.45153 3.06797 -183.99346 1092.77828
7745.0000 -194.41814 -184.72188 9.69626 3.05758 -184.18967 1053.00908
7750.0000 -196.27474 -185.50050 10.77424 3.04674 -184.39431 1115.94104
MELTING PROCESS: loop number 32 T-loop= 1114.0000000000000
main_MD> interactions number 32 at Temperature= 1114.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.28106 1.71999 0.22600
force_rgl> df(natom) 2.52770 -0.86634 1.56970
7755.0000 -196.64873 -185.73569 10.91303 2.94770 -186.26351 1035.27992
7760.0000 -198.14681 -186.61896 11.52784 2.97875 -185.67751 1014.54175
7765.0000 -197.34375 -187.07492 10.26884 2.86655 -187.79527 971.75501
7770.0000 -197.30905 -186.99889 10.31016 2.87628 -187.61156 986.17378
7775.0000 -197.97415 -185.25566 12.71849 2.92440 -186.70329 1003.12381
7780.0000 -195.24654 -183.67842 11.56812 3.04337 -184.45790 1084.08316
7785.0000 -195.63031 -184.83235 10.79796 3.05632 -184.21346 1100.57305
7790.0000 -195.18301 -183.95498 11.22803 3.03131 -184.68539 1080.72037
7795.0000 -194.85558 -183.81673 11.03885 3.08343 -183.70178 1133.65686
7800.0000 -196.06100 -184.77723 11.28377 3.06222 -184.10199 1096.45909
7805.0000 -195.78576 -185.27647 10.50929 3.05012 -184.33051 1063.30164
7810.0000 -196.17625 -183.80629 12.36996 2.97251 -185.79531 1048.28625
7815.0000 -195.53402 -182.34195 13.19207 3.09318 -183.51769 1122.39299
7820.0000 -194.58121 -184.65857 9.92264 3.14711 -182.49991 1167.16715
7825.0000 -197.75228 -186.62197 11.13031 2.96347 -185.96597 1029.12946
7830.0000 -195.09097 -183.88605 11.20492 2.97751 -185.70096 1025.06071
7835.0000 -196.98861 -184.95842 12.03019 2.99659 -185.34084 1058.90511
7840.0000 -196.17199 -183.99229 12.17970 3.00178 -185.24278 1080.22337
7845.0000 -194.78171 -183.38912 11.39259 3.09046 -183.56901 1101.11943
7850.0000 -195.21777 -184.54145 10.67632 3.07322 -183.89441 1100.30408
7855.0000 -198.11138 -186.01808 12.09330 2.97640 -185.72197 1043.04906
7860.0000 -196.50533 -184.07011 12.43522 3.05061 -184.32124 1089.99832
7865.0000 -194.24732 -183.82832 10.41899 3.06595 -184.03166 1116.50677
7870.0000 -195.56618 -182.05271 13.51347 3.11321 -183.13959 1140.04823
7875.0000 -196.77089 -184.16973 12.60116 3.09967 -183.39518 1110.34070
7880.0000 -195.30089 -183.57414 11.72676 3.09317 -183.51793 1103.84629
7885.0000 -196.20505 -184.59708 11.60796 3.11354 -183.13350 1129.33283
7890.0000 -196.35725 -186.18199 10.17527 3.04984 -184.33577 1097.60587
7895.0000 -194.26899 -181.68861 12.58037 3.07431 -183.87391 1120.14725
7900.0000 -194.11719 -181.82877 12.28842 3.17324 -182.00670 1183.51503
7905.0000 -193.11523 -181.53370 11.58153 3.20054 -181.49141 1155.87012
7910.0000 -192.95018 -179.86680 13.08338 3.22703 -180.99140 1183.50969
7915.0000 -193.01948 -182.86453 10.15495 3.18078 -181.86424 1152.78815
7920.0000 -194.29005 -180.28946 14.00059 3.23547 -180.83207 1190.77324
7925.0000 -195.41547 -181.53193 13.88354 3.25830 -180.40120 1210.49422
7930.0000 -193.85031 -180.23779 13.61251 3.19441 -181.60707 1197.91067
7935.0000 -193.53859 -182.40092 11.13767 3.16416 -182.17803 1147.22462
7940.0000 -193.29884 -180.87331 12.42553 3.22628 -181.00546 1184.27499
7945.0000 -194.67980 -181.99195 12.68786 3.18280 -181.82611 1132.28298
7950.0000 -192.92971 -178.83207 14.09763 3.22951 -180.94451 1186.56278
7955.0000 -193.80324 -182.57932 11.22392 3.21569 -181.20532 1224.80177
7960.0000 -196.03798 -183.74980 12.28818 3.12684 -182.88239 1157.49500
7965.0000 -195.85810 -184.44542 11.41268 3.10399 -183.31363 1086.56673
7970.0000 -195.46204 -181.90283 13.55921 3.10642 -183.26776 1127.91488
7975.0000 -195.58162 -181.94135 13.64027 3.19441 -181.60698 1168.87204
7980.0000 -195.52737 -184.27776 11.24962 3.08585 -183.65614 1116.32123
7985.0000 -193.58013 -181.31078 12.26935 3.14190 -182.59811 1149.98026
7990.0000 -192.50658 -178.56326 13.94332 3.23660 -180.81071 1184.22448
7995.0000 -195.70776 -182.14230 13.56545 3.21373 -181.24233 1187.74803
8000.0000 -194.39575 -182.61926 11.77649 3.10847 -183.22918 1124.33550
MELTING PROCESS: loop number 33 T-loop= 1139.0000000000000
main_MD> interactions number 33 at Temperature= 1139.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.38595 2.60138 3.45706
force_rgl> df(natom) 0.25408 -2.60285 2.08964
8005.0000 -194.44984 -182.33330 12.11654 3.17328 -182.00586 1178.51326
8010.0000 -193.51454 -181.88317 11.63137 3.15422 -182.36565 1118.03084
8015.0000 -194.84516 -182.49209 12.35308 3.20008 -181.49997 1168.17968
8020.0000 -193.99588 -182.02130 11.97458 3.18030 -181.87337 1153.02918
8025.0000 -194.02053 -183.54941 10.47113 3.13219 -182.78139 1154.46031
8030.0000 -193.13690 -181.55688 11.58003 3.15460 -182.35840 1187.66934
8035.0000 -193.96955 -182.34886 11.62069 3.22131 -181.09935 1199.28920
8040.0000 -195.22588 -184.80914 10.41673 3.09033 -183.57143 1143.68170
8045.0000 -195.59730 -182.50127 13.09603 3.08863 -183.60353 1127.84428
8050.0000 -193.72549 -181.97896 11.74652 3.17970 -181.88474 1153.02181
8055.0000 -195.47935 -182.18284 13.29651 3.15827 -182.28914 1134.46989
8060.0000 -196.25337 -183.44956 12.80381 3.14636 -182.51391 1152.20600
8065.0000 -194.89579 -183.39508 11.50071 3.11236 -183.15565 1135.69907
8070.0000 -196.38735 -183.86468 12.52267 3.11452 -183.11492 1147.59804
8075.0000 -193.39337 -182.30631 11.08706 3.15524 -182.34628 1155.00682
8080.0000 -192.55646 -181.60553 10.95092 3.11589 -183.08915 1139.38116
8085.0000 -194.59344 -182.19748 12.39596 3.17327 -182.00603 1148.71803
8090.0000 -195.74210 -185.61541 10.12669 3.12605 -182.89726 1149.11601
8095.0000 -195.55824 -184.95743 10.60081 2.94301 -186.35207 1035.59488
8100.0000 -195.78160 -182.82570 12.95590 3.08280 -183.71364 1112.82910
8105.0000 -197.71612 -186.14598 11.57014 3.03672 -184.58328 1106.13509
8110.0000 -198.00087 -187.85304 10.14782 2.91553 -186.87072 1026.30511
8115.0000 -197.15296 -187.07045 10.08251 2.92504 -186.69130 1000.14427
8120.0000 -196.98825 -185.60551 11.38274 2.96276 -185.97937 1050.36184
8125.0000 -195.22372 -184.77874 10.44498 3.02179 -184.86511 1051.96216
8130.0000 -194.84860 -183.35258 11.49603 3.10843 -183.22989 1107.21400
8135.0000 -192.16453 -181.03486 11.12967 3.10678 -183.26108 1105.17296
8140.0000 -192.87554 -179.84536 13.03018 3.26004 -180.36828 1197.21676
8145.0000 -194.19244 -183.65470 10.53774 3.17248 -182.02102 1159.37696
8150.0000 -195.75438 -183.07449 12.67989 3.13535 -182.72183 1134.70334
8155.0000 -195.74843 -183.14764 12.60079 3.13490 -182.73022 1129.98285
8160.0000 -193.93071 -183.19085 10.73987 3.17456 -181.98176 1167.98547
8165.0000 -193.30763 -180.86890 12.43872 3.21511 -181.21639 1156.46572
8170.0000 -196.06132 -184.36498 11.69634 3.11420 -183.12102 1136.00136
8175.0000 -199.96823 -188.53788 11.43035 2.94996 -186.22100 1038.81630
8180.0000 -197.61676 -186.30676 11.31000 2.90494 -187.07063 989.37443
8185.0000 -195.51964 -185.01063 10.50901 2.98120 -185.63135 1056.29445
8190.0000 -195.17227 -182.60962 12.56265 3.06914 -183.97142 1085.14150
8195.0000 -193.90107 -182.16081 11.74026 3.14396 -182.55925 1120.09421
8200.0000 -195.73254 -184.00488 11.72766 3.14090 -182.61697 1132.00779
8205.0000 -194.87725 -180.36267 14.51458 3.13563 -182.71646 1127.25564
8210.0000 -194.19968 -183.01403 11.18564 3.18503 -181.78417 1184.02642
8215.0000 -195.11690 -183.07751 12.03939 3.10898 -183.21950 1097.41758
8220.0000 -195.36070 -182.58320 12.77750 3.08212 -183.72647 1113.16389
8225.0000 -195.80746 -184.36024 11.44722 3.02710 -184.76497 1057.19237
8230.0000 -193.31037 -181.10501 12.20536 3.12982 -182.82609 1138.85271
8235.0000 -196.21818 -183.10239 13.11579 3.20337 -181.43802 1162.82062
8240.0000 -194.19158 -182.23702 11.95457 3.13161 -182.79243 1114.70191
8245.0000 -193.41598 -181.60713 11.80884 3.17879 -181.90178 1172.97236
8250.0000 -194.12248 -183.89371 10.22876 3.12606 -182.89716 1111.29694
MELTING PROCESS: loop number 34 T-loop= 1164.0000000000000
main_MD> interactions number 34 at Temperature= 1164.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.57061 1.54542 0.83945
force_rgl> df(natom) -1.68506 1.46196 0.47583
8255.0000 -194.90857 -181.95892 12.94965 3.08743 -183.62625 1131.25094
8260.0000 -191.45467 -178.84988 12.60478 3.22590 -181.01263 1194.59883
8265.0000 -194.06215 -182.73338 11.32877 3.22806 -180.97195 1188.99245
8270.0000 -195.76175 -181.63334 14.12841 3.19621 -181.57310 1179.94091
8275.0000 -193.19310 -180.06037 13.13273 3.17441 -181.98444 1179.19894
8280.0000 -196.24461 -181.90277 14.34184 3.21802 -181.16145 1213.88528
8285.0000 -194.06931 -180.96628 13.10303 3.24557 -180.64139 1217.83054
8290.0000 -193.89031 -182.61235 11.27796 3.22771 -180.97853 1204.65081
8295.0000 -195.58573 -183.16369 12.42204 3.11458 -183.11380 1120.94079
8300.0000 -194.42995 -183.29914 11.13081 3.09463 -183.49029 1105.87037
8305.0000 -195.20419 -183.44655 11.75764 3.17536 -181.96668 1146.67495
8310.0000 -194.03800 -183.16606 10.87193 3.15480 -182.35463 1137.15573
8315.0000 -196.35726 -184.70877 11.64849 3.04558 -184.41615 1095.50143
8320.0000 -194.87914 -183.06611 11.81303 3.12646 -182.88959 1138.13523
8325.0000 -192.21832 -180.36732 11.85099 3.17852 -181.90693 1174.27321
8330.0000 -192.11453 -180.08831 12.02623 3.32195 -179.19975 1272.30515
8335.0000 -195.29276 -182.93540 12.35736 3.21625 -181.19477 1201.56975
8340.0000 -194.07458 -181.55596 12.51862 3.16809 -182.10376 1192.02830
8345.0000 -192.70206 -182.31534 10.38672 3.12247 -182.96480 1097.04935
8350.0000 -193.76627 -182.31670 11.44957 3.12610 -182.89638 1116.05630
8355.0000 -196.59141 -183.85928 12.73212 3.06263 -184.09430 1119.26550
8360.0000 -195.22373 -182.14872 13.07501 3.09125 -183.55410 1121.39424
8365.0000 -194.55440 -181.25068 13.30373 3.17558 -181.96245 1188.65639
8370.0000 -192.60636 -179.95491 12.65145 3.23964 -180.75332 1213.09554
8375.0000 -194.49452 -182.63950 11.85502 3.25092 -180.54047 1204.47275
8380.0000 -194.93185 -182.89678 12.03507 3.23158 -180.90543 1198.60077
8385.0000 -195.37078 -181.86499 13.50578 3.15919 -182.27183 1144.38596
8390.0000 -194.58643 -184.50769 10.07874 3.14426 -182.55354 1132.50389
8395.0000 -197.76134 -185.57855 12.18279 3.00505 -185.18112 1051.33081
8400.0000 -195.40525 -183.54505 11.86020 3.05896 -184.16356 1080.91062
8405.0000 -192.92685 -179.38046 13.54639 3.18162 -181.84854 1168.87230
8410.0000 -195.47813 -182.81431 12.66382 3.26080 -180.35392 1181.62082
8415.0000 -195.08714 -183.70279 11.38435 3.14799 -182.48317 1149.62901
8420.0000 -193.60072 -182.25775 11.34297 3.13273 -182.77119 1116.18816
8425.0000 -195.39400 -183.38137 12.01263 3.11268 -183.14968 1131.38894
8430.0000 -193.78728 -182.42002 11.36726 3.13393 -182.74849 1170.29595
8435.0000 -194.45954 -183.19948 11.26006 3.14140 -182.60767 1169.94587
8440.0000 -196.89702 -182.89347 14.00355 3.02679 -184.77081 1101.66244
8445.0000 -192.62917 -182.45280 10.17637 3.16737 -182.11745 1163.82358
8450.0000 -193.75049 -179.82762 13.92287 3.23928 -180.76012 1224.19399
8455.0000 -191.82570 -179.51012 12.31559 3.25171 -180.52560 1224.91952
8460.0000 -195.58384 -183.59586 11.98797 3.21504 -181.21759 1190.44246
8465.0000 -194.01825 -181.35618 12.66207 3.17017 -182.06456 1146.37812
8470.0000 -193.22638 -181.46222 11.76416 3.17887 -181.90037 1160.03785
8475.0000 -192.26516 -178.87343 13.39173 3.29519 -179.70495 1254.95377
8480.0000 -194.46388 -180.34611 14.11777 3.27712 -180.04592 1225.03717
8485.0000 -193.58045 -180.59096 12.98948 3.27487 -180.08843 1243.64257
8490.0000 -193.85109 -180.89076 12.96032 3.31119 -179.40280 1277.90220
8495.0000 -195.78295 -184.44061 11.34234 3.15262 -182.39584 1164.10153
8500.0000 -196.95252 -184.31034 12.64218 3.06646 -184.02197 1058.78057
MELTING PROCESS: loop number 35 T-loop= 1189.0000000000000
main_MD> interactions number 35 at Temperature= 1189.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.47845 1.50419 3.42463
force_rgl> df(natom) 0.62321 -2.19063 -0.44302
8505.0000 -195.35814 -183.47712 11.88102 3.04546 -184.41837 1115.29325
8510.0000 -193.23709 -181.59849 11.63860 3.13449 -182.73800 1150.29015
8515.0000 -197.08135 -184.26655 12.81480 3.05399 -184.25734 1107.08865
8520.0000 -195.26918 -184.95181 10.31737 3.03161 -184.67978 1078.48110
8525.0000 -193.91364 -182.54378 11.36985 3.03529 -184.61041 1061.97796
8530.0000 -193.78294 -182.13721 11.64573 3.25309 -180.49946 1194.95940
8535.0000 -194.49566 -181.24981 13.24585 3.16020 -182.25280 1171.97367
8540.0000 -196.45870 -181.61191 14.84679 3.18327 -181.81738 1158.49124
8545.0000 -193.89702 -181.74396 12.15306 3.22677 -180.99618 1228.85087
8550.0000 -194.21047 -180.81345 13.39702 3.19882 -181.52376 1216.93454
8555.0000 -192.16164 -178.08914 14.07250 3.33760 -178.90436 1246.92981
8560.0000 -194.60703 -182.83758 11.76944 3.25691 -180.42740 1241.84419
8565.0000 -195.59824 -184.10058 11.49765 3.12662 -182.88659 1137.59246
8570.0000 -195.44033 -183.28480 12.15553 3.08204 -183.72796 1100.23542
8575.0000 -193.71058 -181.27378 12.43680 3.17708 -181.93412 1167.41488
8580.0000 -193.11488 -184.27781 8.83707 3.12250 -182.96435 1095.75908
8585.0000 -193.46548 -182.63103 10.83444 3.12321 -182.95083 1133.53143
8590.0000 -195.53697 -181.29086 14.24611 3.15533 -182.34473 1144.91597
8595.0000 -191.77069 -180.46074 11.30996 3.23223 -180.89320 1215.28428
8600.0000 -193.66487 -181.14030 12.52456 3.28902 -179.82136 1227.91532
8605.0000 -192.96399 -179.16291 13.80108 3.25964 -180.37586 1249.23496
8610.0000 -193.74832 -182.25649 11.49183 3.21530 -181.21275 1189.63645
8615.0000 -193.67189 -181.13808 12.53381 3.21616 -181.19659 1189.97376
8620.0000 -194.85715 -182.93454 11.92261 3.11086 -183.18398 1144.72976
8625.0000 -194.69923 -183.90107 10.79816 3.09175 -183.54473 1140.57005
8630.0000 -193.28235 -181.15130 12.13105 3.12413 -182.93363 1134.21283
8635.0000 -194.62007 -182.16612 12.45395 3.11467 -183.11217 1133.81327
8640.0000 -194.05965 -182.64605 11.41360 3.15799 -182.29437 1173.53996
8645.0000 -194.05105 -180.01018 14.04087 3.17766 -181.92315 1202.83919
8650.0000 -194.08410 -179.52864 14.55546 3.22972 -180.94050 1200.57510
8655.0000 -192.55743 -178.28581 14.27162 3.28283 -179.93822 1232.96882
8660.0000 -188.15872 -176.52391 11.63481 3.40133 -177.70145 1314.63935
8665.0000 -189.78712 -176.83380 12.95332 3.38103 -178.08475 1303.12022
8670.0000 -192.72136 -180.09431 12.62705 3.38746 -177.96335 1311.97512
8675.0000 -193.65581 -181.59065 12.06516 3.27016 -180.17739 1243.15559
8680.0000 -191.85267 -178.53637 13.31630 3.31807 -179.27311 1273.17641
8685.0000 -194.35583 -182.99993 11.35591 3.21752 -181.17084 1186.78666
8690.0000 -194.05864 -182.15995 11.89870 3.15920 -182.27160 1154.55940
8695.0000 -194.38613 -179.98068 14.40546 3.17975 -181.88376 1152.52103
8700.0000 -196.36409 -183.50545 12.85864 3.08786 -183.61804 1138.98831
8705.0000 -195.77711 -181.02431 14.75279 3.17891 -181.89968 1162.54619
8710.0000 -196.85073 -183.95662 12.89411 3.12232 -182.96766 1125.09182
8715.0000 -194.64917 -182.77321 11.87597 3.07442 -183.87184 1112.36209
8720.0000 -196.08845 -183.05479 13.03366 3.18535 -181.77799 1210.92583
8725.0000 -195.31050 -182.03779 13.27271 3.07292 -183.90013 1097.03061
8730.0000 -195.51514 -183.27032 12.24482 3.11946 -183.02176 1168.28801
8735.0000 -194.34787 -182.67493 11.67294 3.12646 -182.88955 1141.49574
8740.0000 -195.38985 -182.18531 13.20455 3.14083 -182.61843 1141.68128
8745.0000 -194.50400 -182.51713 11.98688 3.12122 -182.98841 1136.61467
8750.0000 -194.03879 -181.58604 12.45275 3.06759 -184.00072 1085.87593
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 14 [min], 21.4015720 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink