tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_2451/meltingSims/run_80/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_80.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 = 80 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: 80 8000
main_MD> Size of nv and nvoiz: 80 8000
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 = 80
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> 9.1121176772209364E-002 -4.2529655443688343E-002 -0.12667964977984952 initial drift of cluster / NP1 for coalescence
init> 0.34668746501861680 0.35536269882371230 0.31825658734713030 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.8719722439997878E-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) 0.54146 -0.45593 1.20830
force_rgl> df(natom) -1.64854 0.38981 -1.24336
preparo> THERMALIZATION PROCESS AT 303.94388955443543
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -202.64382366590570 3.4732707720408111 -206.11709443794652 3.7921381046654082E-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= 329.00000000000000
main_MD> interactions number 1 at Temperature= 329.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55590 -1.53399 -1.75708
force_rgl> df(natom) 1.71879 1.28925 1.01455
5.0000 -205.91144 -202.51818 3.39326 1.81206 -202.35656 324.57290
10.0000 -205.89732 -202.35177 3.54555 1.80071 -202.56732 313.33812
15.0000 -205.36445 -202.15895 3.20550 1.80945 -202.40507 322.58754
20.0000 -206.10616 -202.49391 3.61225 1.80623 -202.46487 321.07297
25.0000 -205.89845 -202.59898 3.29947 1.80779 -202.43588 323.53078
30.0000 -205.39617 -202.37615 3.02002 1.82158 -202.17991 332.97726
35.0000 -205.50255 -202.03215 3.47039 1.82882 -202.04539 339.25539
40.0000 -205.17985 -201.57196 3.60789 1.85198 -201.61550 357.99072
45.0000 -206.34210 -203.19900 3.14311 1.82219 -202.16862 336.56190
50.0000 -205.82051 -202.04440 3.77611 1.80139 -202.55470 317.25611
55.0000 -205.33514 -201.63715 3.69799 1.83989 -201.84004 347.74105
60.0000 -205.36280 -202.23419 3.12860 1.83394 -201.95041 343.39748
65.0000 -205.35618 -202.02126 3.33492 1.82686 -202.08184 337.36200
70.0000 -205.48988 -202.81864 2.67124 1.79609 -202.65322 312.31543
75.0000 -205.56437 -202.50513 3.05924 1.79776 -202.62213 313.06049
80.0000 -205.60199 -202.61888 2.98312 1.80937 -202.40652 327.08270
85.0000 -205.36070 -201.04548 4.31522 1.82768 -202.06663 336.78243
90.0000 -205.12833 -201.72851 3.39983 1.85445 -201.56963 360.20830
95.0000 -205.43909 -201.90105 3.53805 1.82608 -202.09630 339.36059
100.0000 -205.74810 -201.97716 3.77094 1.83899 -201.85673 346.89963
105.0000 -205.65154 -201.49296 4.15858 1.85188 -201.61731 358.22202
110.0000 -206.06809 -202.75305 3.31504 1.81931 -202.22205 333.49377
115.0000 -205.81177 -202.55830 3.25347 1.79887 -202.60152 315.42568
120.0000 -205.52218 -202.19760 3.32458 1.80180 -202.54722 315.58306
125.0000 -205.89301 -202.31348 3.57953 1.83990 -201.83984 352.01045
130.0000 -205.59527 -202.79658 2.79869 1.80926 -202.40871 333.40936
135.0000 -205.81868 -202.15048 3.66819 1.81512 -202.29987 342.06201
140.0000 -205.94624 -202.85899 3.08725 1.79573 -202.65988 325.07659
145.0000 -206.13822 -202.93380 3.20442 1.79918 -202.59573 327.83323
150.0000 -205.63333 -202.07495 3.55838 1.80973 -202.39988 334.60297
155.0000 -205.62819 -202.56365 3.06454 1.80238 -202.53644 329.06146
160.0000 -205.75679 -202.52268 3.23411 1.77656 -203.01579 305.38917
165.0000 -205.61031 -202.42186 3.18844 1.80808 -202.43054 337.48987
170.0000 -205.95585 -202.50780 3.44804 1.81074 -202.38111 341.08830
175.0000 -206.05206 -202.37244 3.67963 1.80018 -202.57728 327.64639
180.0000 -205.69891 -202.41846 3.28044 1.79744 -202.62811 324.83292
185.0000 -206.09610 -202.14753 3.94858 1.83489 -201.93275 363.06112
190.0000 -205.86096 -202.00931 3.85166 1.80808 -202.43063 335.79146
195.0000 -205.79984 -202.65974 3.14011 1.79611 -202.65280 325.88636
200.0000 -206.56891 -203.34684 3.22207 1.78262 -202.90323 314.27330
205.0000 -206.27270 -202.55816 3.71454 1.78530 -202.85348 318.32191
210.0000 -205.85019 -202.55429 3.29590 1.79811 -202.61564 330.41014
215.0000 -205.72640 -202.12191 3.60448 1.80675 -202.45524 333.38386
220.0000 -205.75403 -202.16566 3.58838 1.81577 -202.28771 345.54448
225.0000 -205.81311 -202.00536 3.80776 1.81456 -202.31031 343.59650
230.0000 -206.06135 -202.77391 3.28744 1.80882 -202.41676 336.18534
235.0000 -205.90073 -202.30574 3.59499 1.78983 -202.76934 324.10525
240.0000 -205.29325 -201.78507 3.50818 1.83641 -201.90458 358.77124
245.0000 -205.21612 -202.02046 3.19566 1.83822 -201.87088 360.94148
250.0000 -205.59664 -202.52314 3.07350 1.81427 -202.31559 341.42385
MELTING PROCESS: loop number 2 T-loop= 354.00000000000000
main_MD> interactions number 2 at Temperature= 354.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.06935 -0.07638 -1.27799
force_rgl> df(natom) 1.57309 -0.10283 0.98022
255.0000 -205.48611 -201.47442 4.01169 1.83103 -202.00451 355.62722
260.0000 -205.53989 -201.99990 3.53999 1.84260 -201.78962 366.95214
265.0000 -205.36977 -201.51015 3.85962 1.85263 -201.60336 374.34348
270.0000 -205.11122 -201.16038 3.95084 1.88120 -201.07297 396.24925
275.0000 -205.47922 -201.56968 3.90954 1.86301 -201.41071 382.52699
280.0000 -205.15193 -201.24261 3.90933 1.87139 -201.25519 387.41132
285.0000 -205.14685 -201.74469 3.40216 1.85170 -201.62071 374.03198
290.0000 -205.56910 -202.32329 3.24581 1.83783 -201.87828 360.11624
295.0000 -205.41028 -201.63053 3.77975 1.82149 -202.18166 341.57695
300.0000 -205.22156 -201.76637 3.45519 1.84667 -201.71402 367.06327
305.0000 -206.32803 -202.12721 4.20082 1.82702 -202.07888 352.21200
310.0000 -205.84841 -202.04838 3.80003 1.83841 -201.86746 358.60159
315.0000 -205.73065 -201.22796 4.50269 1.82490 -202.11824 351.88587
320.0000 -205.46545 -201.78452 3.68092 1.87318 -201.22193 387.02144
325.0000 -206.07497 -202.23562 3.83935 1.82171 -202.17750 346.12209
330.0000 -205.99192 -201.92584 4.06608 1.80916 -202.41041 336.52675
335.0000 -205.91282 -202.30575 3.60707 1.83031 -202.01781 352.31514
340.0000 -205.76794 -202.49740 3.27055 1.81485 -202.30492 341.08846
345.0000 -205.77633 -202.29060 3.48574 1.81463 -202.30893 343.17932
350.0000 -205.78430 -202.23659 3.54770 1.80235 -202.53686 329.80158
355.0000 -204.78496 -200.76883 4.01613 1.85080 -201.63738 370.69092
360.0000 -204.77838 -200.43267 4.34571 1.91774 -200.39452 426.24597
365.0000 -205.84603 -202.27965 3.56638 1.85810 -201.50181 376.07994
370.0000 -205.70517 -202.22774 3.47743 1.82189 -202.17409 345.33611
375.0000 -205.17607 -201.22143 3.95464 1.83048 -202.01466 354.99173
380.0000 -205.38509 -201.56742 3.81768 1.84248 -201.79182 365.29255
385.0000 -205.69440 -201.83406 3.86034 1.84602 -201.72611 366.81420
390.0000 -205.59861 -201.88139 3.71722 1.85803 -201.50316 375.42941
395.0000 -205.87111 -202.39544 3.47567 1.82244 -202.16394 348.51994
400.0000 -204.91626 -201.01984 3.89642 1.83795 -201.87601 361.28174
405.0000 -205.62488 -201.58829 4.03659 1.88984 -200.91258 401.88021
410.0000 -205.27164 -201.31821 3.95343 1.83393 -201.95063 354.45818
415.0000 -205.76399 -202.50255 3.26143 1.84778 -201.69347 369.58754
420.0000 -206.01263 -202.33408 3.67855 1.81438 -202.31353 342.16092
425.0000 -205.96427 -202.55406 3.41021 1.81335 -202.33277 340.32111
430.0000 -205.76261 -202.35841 3.40420 1.82073 -202.19562 344.37703
435.0000 -206.00187 -202.07026 3.93161 1.80683 -202.45381 334.35564
440.0000 -205.26203 -201.95768 3.30435 1.82639 -202.09061 349.20594
445.0000 -205.45094 -201.79927 3.65167 1.83226 -201.98154 352.97789
450.0000 -205.84166 -201.52214 4.31952 1.87413 -201.20417 388.18565
455.0000 -205.81973 -202.07436 3.74537 1.86011 -201.46461 377.36796
460.0000 -205.71108 -202.27017 3.44091 1.83398 -201.94962 359.70585
465.0000 -205.40610 -201.86223 3.54387 1.82681 -202.08282 349.99371
470.0000 -206.20796 -201.83454 4.37343 1.85359 -201.58563 375.22156
475.0000 -205.57080 -202.18034 3.39046 1.83674 -201.89846 358.68965
480.0000 -205.36113 -201.80457 3.55656 1.82835 -202.05417 351.63606
485.0000 -205.29148 -201.80278 3.48870 1.84824 -201.68500 372.27855
490.0000 -205.18535 -201.56856 3.61679 1.83782 -201.87846 360.10042
495.0000 -206.19457 -202.79724 3.39733 1.80711 -202.44846 335.38451
500.0000 -205.95879 -202.49896 3.45983 1.79682 -202.63969 326.38224
MELTING PROCESS: loop number 3 T-loop= 379.00000000000000
main_MD> interactions number 3 at Temperature= 379.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.05858 -0.20154 0.54142
force_rgl> df(natom) 1.22114 -1.66346 -1.05419
505.0000 -206.05485 -202.40545 3.64940 1.81957 -202.21722 346.06820
510.0000 -205.04910 -200.77049 4.27862 1.85024 -201.64782 372.25328
515.0000 -205.58258 -201.20269 4.37989 1.89709 -200.77801 416.31367
520.0000 -205.49784 -201.47650 4.02134 1.86299 -201.41107 382.63278
525.0000 -206.45101 -202.07821 4.37280 1.86684 -201.33962 381.19823
530.0000 -205.27699 -201.31258 3.96441 1.83855 -201.86482 362.83649
535.0000 -204.41335 -200.37849 4.03486 1.90877 -200.56108 415.49731
540.0000 -205.41670 -201.24197 4.17473 1.88533 -200.99629 399.74494
545.0000 -204.79699 -201.07165 3.72534 1.88448 -201.01210 400.68503
550.0000 -205.93653 -202.67870 3.25783 1.85718 -201.51885 371.79696
555.0000 -206.02536 -202.44118 3.58417 1.80995 -202.39590 337.99006
560.0000 -205.13321 -201.01303 4.12018 1.85282 -201.59982 372.74523
565.0000 -205.56753 -200.87375 4.69377 1.87662 -201.15807 390.10068
570.0000 -205.30494 -201.39655 3.90839 1.87329 -201.21992 393.09211
575.0000 -204.94565 -200.88032 4.06533 1.87701 -201.15076 393.82826
580.0000 -205.64135 -201.00587 4.63548 1.89020 -200.90580 401.83803
585.0000 -205.33613 -200.57013 4.76599 1.88643 -200.97578 400.30245
590.0000 -205.33154 -201.14084 4.19070 1.88336 -201.03290 397.51182
595.0000 -205.15607 -201.10899 4.04708 1.88762 -200.95381 401.99299
600.0000 -205.64870 -201.67608 3.97263 1.86749 -201.32745 383.84859
605.0000 -205.81349 -201.89389 3.91960 1.84257 -201.79027 366.48112
610.0000 -205.37020 -201.54877 3.82143 1.84138 -201.81237 362.26434
615.0000 -205.35304 -201.53409 3.81895 1.86603 -201.35456 384.85540
620.0000 -205.11065 -201.19135 3.91930 1.86902 -201.29913 382.42845
625.0000 -204.93763 -201.38876 3.54887 1.86602 -201.35490 381.09208
630.0000 -205.57098 -201.34056 4.23043 1.87472 -201.19321 390.46752
635.0000 -204.58942 -200.45250 4.13692 1.87521 -201.18415 389.40127
640.0000 -205.76819 -201.97688 3.79131 1.85144 -201.62542 372.77528
645.0000 -205.24962 -200.97686 4.27277 1.86026 -201.46170 379.20404
650.0000 -205.35552 -201.14255 4.21297 1.88879 -200.93209 400.68091
655.0000 -205.08755 -200.59313 4.49442 1.89690 -200.78153 410.16571
660.0000 -204.98656 -201.51511 3.47145 1.86639 -201.34795 370.75054
665.0000 -205.73140 -201.77554 3.95586 1.87083 -201.26542 385.36265
670.0000 -205.68090 -201.61207 4.06884 1.83165 -201.99300 358.67903
675.0000 -205.29551 -201.40765 3.88786 1.85399 -201.57819 376.18928
680.0000 -205.87046 -201.57072 4.29974 1.84616 -201.72360 365.45783
685.0000 -205.47004 -201.44712 4.02292 1.85089 -201.63579 370.31963
690.0000 -206.10280 -202.50467 3.59812 1.81805 -202.24547 346.55841
695.0000 -205.55038 -201.98785 3.56254 1.82157 -202.18011 346.06940
700.0000 -204.69417 -200.77633 3.91784 1.86653 -201.34540 384.37146
705.0000 -205.34428 -201.18451 4.15977 1.87559 -201.17719 398.16660
710.0000 -204.74797 -200.97892 3.76905 1.88366 -201.02736 396.52364
715.0000 -205.51783 -202.17547 3.34236 1.86026 -201.46167 378.98799
720.0000 -205.46471 -201.36120 4.10350 1.86371 -201.39767 379.97587
725.0000 -205.83076 -201.35265 4.47811 1.87124 -201.25794 382.68853
730.0000 -205.42040 -201.70426 3.71614 1.86273 -201.41591 380.74810
735.0000 -205.61755 -202.42434 3.19321 1.84326 -201.77744 362.11273
740.0000 -206.08502 -203.04983 3.03519 1.81077 -202.38058 335.53686
745.0000 -205.31498 -201.82344 3.49154 1.82282 -202.15687 346.98564
750.0000 -205.31964 -201.57085 3.74878 1.84185 -201.80353 364.52535
MELTING PROCESS: loop number 4 T-loop= 404.00000000000000
main_MD> interactions number 4 at Temperature= 404.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.02828 -2.89945 0.21426
force_rgl> df(natom) -0.03925 -4.41320 -0.32563
755.0000 -205.59676 -201.51958 4.07718 1.86109 -201.44633 379.47871
760.0000 -205.42923 -201.37167 4.05756 1.85368 -201.58394 374.84178
765.0000 -205.64786 -201.61067 4.03719 1.87543 -201.18001 394.60358
770.0000 -204.73110 -200.60269 4.12841 1.89300 -200.85391 406.26871
775.0000 -204.56362 -200.74105 3.82257 1.89915 -200.73966 409.51509
780.0000 -204.53402 -200.64356 3.89046 1.92348 -200.28797 427.05134
785.0000 -205.29620 -200.82765 4.46855 1.89712 -200.77747 408.16225
790.0000 -205.60057 -201.39185 4.20872 1.86632 -201.34928 382.45562
795.0000 -205.26303 -201.23203 4.03100 1.87417 -201.20356 385.32959
800.0000 -204.94977 -201.02347 3.92630 1.87991 -201.09699 394.16529
805.0000 -205.54095 -200.47077 5.07018 1.88865 -200.93459 404.74745
810.0000 -204.99323 -200.71247 4.28076 1.89184 -200.87534 405.91629
815.0000 -205.48119 -201.34678 4.13442 1.88380 -201.02475 391.83397
820.0000 -205.23363 -201.17652 4.05711 1.88463 -201.00928 395.76222
825.0000 -205.62066 -201.46592 4.15474 1.85953 -201.47529 378.72175
830.0000 -204.68451 -200.58126 4.10325 1.87876 -201.11836 397.52294
835.0000 -205.37606 -201.11425 4.26180 1.88927 -200.92310 406.13240
840.0000 -205.51768 -201.13499 4.38269 1.88329 -201.03421 397.79701
845.0000 -205.61126 -201.10678 4.50449 1.89416 -200.83227 409.83557
850.0000 -205.67260 -201.89923 3.77337 1.85309 -201.59492 373.18120
855.0000 -205.73629 -201.55176 4.18453 1.84732 -201.70193 365.60013
860.0000 -205.76105 -202.00985 3.75120 1.86445 -201.38393 381.28580
865.0000 -205.33516 -201.25998 4.07518 1.85332 -201.59065 369.76801
870.0000 -205.15364 -201.31046 3.84319 1.86622 -201.35105 391.27304
875.0000 -205.40756 -201.82976 3.57780 1.84538 -201.73810 363.54311
880.0000 -205.59932 -201.61962 3.97970 1.84345 -201.77378 363.60358
885.0000 -205.10677 -201.26833 3.83844 1.86556 -201.36328 380.68374
890.0000 -205.47537 -201.46752 4.00785 1.86854 -201.30802 386.74057
895.0000 -205.78194 -201.27262 4.50932 1.85955 -201.47485 377.54576
900.0000 -205.27660 -201.52034 3.75626 1.86037 -201.45969 376.07759
905.0000 -205.30189 -201.17639 4.12550 1.87118 -201.25909 387.21477
910.0000 -205.59288 -201.86607 3.72681 1.85395 -201.57893 373.72819
915.0000 -206.16717 -202.15429 4.01288 1.82683 -202.08252 352.98761
920.0000 -205.37014 -201.91493 3.45521 1.84721 -201.70396 368.87987
925.0000 -204.73207 -200.62813 4.10394 1.86214 -201.42678 378.45309
930.0000 -204.85354 -200.03402 4.81953 1.91260 -200.48995 422.05696
935.0000 -204.49337 -200.44723 4.04614 1.93783 -200.02150 440.46197
940.0000 -204.35394 -199.82281 4.53113 1.91253 -200.49120 419.50155
945.0000 -204.21770 -199.55438 4.66332 1.95047 -199.78696 448.33149
950.0000 -204.90420 -200.79594 4.10826 1.92887 -200.18793 434.97189
955.0000 -204.46130 -199.86939 4.59191 1.92068 -200.33993 426.25439
960.0000 -204.91671 -201.08742 3.82929 1.90080 -200.70912 408.42373
965.0000 -205.37870 -201.22891 4.14979 1.87488 -201.19039 394.21937
970.0000 -204.12739 -200.03267 4.09472 1.88928 -200.92297 401.67245
975.0000 -204.28863 -199.65871 4.62992 1.92947 -200.17679 434.01604
980.0000 -204.74104 -200.76463 3.97640 1.91642 -200.41901 423.74362
985.0000 -204.76972 -200.29925 4.47047 1.89502 -200.81643 410.03235
990.0000 -204.06466 -198.75374 5.31093 1.95338 -199.73290 453.39021
995.0000 -204.52943 -199.74832 4.78112 1.99033 -199.04689 483.30147
1000.0000 -204.56752 -200.26091 4.30661 1.90740 -200.58659 414.72468
MELTING PROCESS: loop number 5 T-loop= 429.00000000000000
main_MD> interactions number 5 at Temperature= 429.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.76802 -1.19098 0.15819
force_rgl> df(natom) -1.87549 -1.42475 -0.66911
1005.0000 -204.73157 -200.45016 4.28140 1.89943 -200.73445 409.61018
1010.0000 -204.68733 -199.76405 4.92329 1.91781 -200.39328 421.49771
1015.0000 -204.29772 -200.27822 4.01950 1.93668 -200.04287 438.50153
1020.0000 -205.44301 -201.22411 4.21890 1.89239 -200.86530 407.35621
1025.0000 -204.27905 -200.03945 4.23960 1.89472 -200.82194 407.23806
1030.0000 -204.60875 -200.17646 4.43228 1.94093 -199.96395 443.46775
1035.0000 -204.50530 -200.03651 4.46879 1.92730 -200.21709 432.93532
1040.0000 -204.74806 -199.47538 5.27268 1.93878 -200.00393 443.97345
1045.0000 -205.02215 -199.54140 5.48076 1.97975 -199.24335 473.77269
1050.0000 -204.54302 -199.52532 5.01770 1.94878 -199.81819 456.30768
1055.0000 -205.09225 -200.53692 4.55533 1.92406 -200.27729 435.24283
1060.0000 -204.45685 -200.41098 4.04587 1.91809 -200.38802 429.41057
1065.0000 -204.67038 -200.13143 4.53895 1.92995 -200.16787 435.96785
1070.0000 -204.93984 -200.13488 4.80496 1.93138 -200.14135 434.77442
1075.0000 -204.00832 -199.08284 4.92548 1.96978 -199.42827 470.29044
1080.0000 -204.40360 -199.96577 4.43783 1.96930 -199.43727 464.85491
1085.0000 -204.37437 -199.69318 4.68119 1.95503 -199.70218 452.07090
1090.0000 -204.56253 -199.79272 4.76980 1.96896 -199.44359 467.70887
1095.0000 -204.18976 -199.72300 4.46676 1.95521 -199.69894 455.60319
1100.0000 -204.77606 -200.16631 4.60975 1.93217 -200.12671 441.67302
1105.0000 -205.05997 -200.66047 4.39950 1.91571 -200.43229 427.47329
1110.0000 -205.34472 -200.52802 4.81669 1.92770 -200.20955 432.13586
1115.0000 -205.15694 -200.17222 4.98472 1.92069 -200.33986 427.10001
1120.0000 -204.68250 -200.35680 4.32571 1.93467 -200.08023 436.74076
1125.0000 -205.51397 -201.53843 3.97554 1.88953 -200.91823 413.76697
1130.0000 -205.14689 -200.07359 5.07330 1.90427 -200.64469 417.31819
1135.0000 -204.43409 -199.63063 4.80346 1.98462 -199.15289 475.90902
1140.0000 -204.46438 -200.20177 4.26261 1.97131 -199.39994 469.31776
1145.0000 -204.43206 -199.86115 4.57092 1.91861 -200.37848 427.77513
1150.0000 -204.30719 -200.07912 4.22807 1.94734 -199.84491 448.33974
1155.0000 -204.66563 -200.52480 4.14083 1.92080 -200.33768 426.93696
1160.0000 -204.75766 -200.81171 3.94596 1.89993 -200.72517 413.89114
1165.0000 -205.04366 -200.67531 4.36836 1.88939 -200.92095 405.14586
1170.0000 -204.11136 -199.99348 4.11788 1.91916 -200.36825 423.90092
1175.0000 -204.13638 -199.96373 4.17266 1.92463 -200.26667 431.13136
1180.0000 -205.30958 -201.41605 3.89353 1.91237 -200.49427 423.34912
1185.0000 -204.72207 -199.59547 5.12660 1.91098 -200.52007 417.61599
1190.0000 -204.13294 -199.69023 4.44270 1.96284 -199.55729 449.10097
1195.0000 -204.34904 -198.99966 5.34938 1.98565 -199.13373 454.22149
1200.0000 -204.35564 -199.86505 4.49059 1.94448 -199.89811 430.98982
1205.0000 -204.36546 -199.59254 4.77292 1.95229 -199.75308 450.56085
1210.0000 -205.01226 -200.17365 4.83862 1.92988 -200.16914 433.17095
1215.0000 -205.10622 -200.37336 4.73286 1.92263 -200.30376 428.49473
1220.0000 -204.98822 -200.16473 4.82350 1.92575 -200.24582 432.03802
1225.0000 -204.40700 -200.19401 4.21300 1.94105 -199.96181 442.84836
1230.0000 -204.90093 -200.73977 4.16117 1.94224 -199.93977 439.30908
1235.0000 -205.05087 -200.67575 4.37512 1.91596 -200.42761 425.55881
1240.0000 -205.02818 -200.69689 4.33129 1.87432 -201.20070 391.96981
1245.0000 -204.78878 -200.72303 4.06575 1.90478 -200.63510 414.44115
1250.0000 -204.59420 -200.60003 3.99417 1.89991 -200.72563 413.13038
MELTING PROCESS: loop number 6 T-loop= 454.00000000000000
main_MD> interactions number 6 at Temperature= 454.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.38992 -2.02163 1.14471
force_rgl> df(natom) -1.33965 -1.20989 -1.41472
1255.0000 -203.97671 -198.69987 5.27684 1.96405 -199.53482 460.67029
1260.0000 -204.55778 -199.65405 4.90373 1.97679 -199.29830 474.35884
1265.0000 -203.51479 -198.31224 5.20255 1.98438 -199.15725 475.12016
1270.0000 -203.98720 -198.99431 4.99288 2.00030 -198.86167 491.68114
1275.0000 -204.36600 -199.57303 4.79297 1.95738 -199.65859 458.74952
1280.0000 -205.59749 -200.83318 4.76432 1.92858 -200.19337 425.31826
1285.0000 -204.61535 -200.34281 4.27253 1.90215 -200.68407 412.40610
1290.0000 -204.27538 -199.97070 4.30468 1.94788 -199.83488 450.49298
1295.0000 -204.68301 -199.38325 5.29977 1.95012 -199.79344 451.20528
1300.0000 -204.19134 -199.77280 4.41855 1.93519 -200.07053 441.84957
1305.0000 -204.52053 -199.51328 5.00726 1.94073 -199.96781 449.33468
1310.0000 -204.06060 -199.41246 4.64813 1.94568 -199.87591 450.30284
1315.0000 -205.69304 -199.56109 6.13194 1.96771 -199.46678 459.80033
1320.0000 -205.23564 -201.14197 4.09368 1.94187 -199.94650 441.42693
1325.0000 -205.02075 -201.28241 3.73834 1.88660 -200.97280 401.91326
1330.0000 -204.90776 -199.37250 5.53526 1.90634 -200.60622 421.78502
1335.0000 -204.98583 -200.19645 4.78938 1.92411 -200.27634 430.67394
1340.0000 -204.69037 -199.14679 5.54358 1.95890 -199.63031 457.61082
1345.0000 -204.04609 -199.25415 4.79194 1.95997 -199.61059 459.86257
1350.0000 -204.31921 -200.14099 4.17822 1.96113 -199.58896 457.23896
1355.0000 -204.18700 -199.82839 4.35861 1.95189 -199.76050 457.44147
1360.0000 -204.32852 -199.68960 4.63892 1.96317 -199.55106 458.79068
1365.0000 -204.84215 -200.27717 4.56498 1.95824 -199.64261 458.46306
1370.0000 -204.86048 -200.49435 4.36612 1.91646 -200.41834 426.16393
1375.0000 -204.65235 -200.45633 4.19602 1.91021 -200.53444 418.63571
1380.0000 -204.51232 -198.83589 5.67643 1.96661 -199.48726 462.28908
1385.0000 -203.88492 -198.48904 5.39588 2.01014 -198.67898 498.87262
1390.0000 -203.75884 -198.21100 5.54784 2.01333 -198.61973 500.66970
1395.0000 -204.07287 -198.84162 5.23125 1.98278 -199.18694 477.14021
1400.0000 -204.32409 -199.57790 4.74619 1.98581 -199.13076 488.11442
1405.0000 -204.75463 -199.83769 4.91694 1.95841 -199.63942 457.76585
1410.0000 -204.92970 -200.75683 4.17288 1.94108 -199.96125 446.71710
1415.0000 -204.62773 -200.10090 4.52683 1.91942 -200.36330 424.30941
1420.0000 -203.74928 -199.28384 4.46544 1.97480 -199.33508 470.19305
1425.0000 -204.34534 -199.33343 5.01191 1.96825 -199.45683 463.72419
1430.0000 -204.52373 -200.24889 4.27484 1.95485 -199.70558 455.07675
1435.0000 -204.39380 -199.71412 4.67967 1.93027 -200.16184 432.77412
1440.0000 -204.84173 -199.99361 4.84813 1.95709 -199.66393 457.11449
1445.0000 -204.85748 -199.78273 5.07475 1.92968 -200.17295 438.42455
1450.0000 -203.91039 -199.52785 4.38254 1.94626 -199.86502 449.42913
1455.0000 -204.13904 -199.02111 5.11793 1.97032 -199.41832 468.66389
1460.0000 -203.71528 -199.04616 4.66912 1.98911 -199.06954 466.75500
1465.0000 -205.24533 -199.86279 5.38254 1.95104 -199.77627 443.67045
1470.0000 -204.79350 -200.33404 4.45945 1.93608 -200.05401 440.77300
1475.0000 -204.23409 -198.92965 5.30444 1.96019 -199.60650 455.96946
1480.0000 -203.81440 -198.77291 5.04148 2.00253 -198.82024 493.44393
1485.0000 -204.45802 -199.99934 4.45868 1.98893 -199.07274 479.43370
1490.0000 -205.00214 -200.70033 4.30181 1.88789 -200.94884 402.04362
1495.0000 -204.29864 -199.82972 4.46893 1.94374 -199.91179 451.34483
1500.0000 -204.98021 -200.31058 4.66963 1.91735 -200.40177 423.68448
MELTING PROCESS: loop number 7 T-loop= 479.00000000000000
main_MD> interactions number 7 at Temperature= 479.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.16040 1.28348 1.20826
force_rgl> df(natom) 1.59799 0.93597 -0.08356
1505.0000 -204.77503 -200.03078 4.74425 1.95179 -199.76245 448.42380
1510.0000 -203.76873 -198.62907 5.13966 1.96926 -199.43800 473.06028
1515.0000 -204.48167 -199.92764 4.55402 1.98534 -199.13940 483.77430
1520.0000 -203.48010 -199.25998 4.22012 1.97949 -199.24810 476.69232
1525.0000 -205.11591 -200.38654 4.72937 1.98412 -199.16220 476.21363
1530.0000 -204.66355 -200.00482 4.65873 1.94658 -199.85913 449.60508
1535.0000 -204.76757 -199.99682 4.77075 1.96523 -199.51276 458.53385
1540.0000 -204.38553 -199.10868 5.27685 1.97417 -199.34685 467.81218
1545.0000 -202.91823 -197.60172 5.31650 2.00693 -198.73859 496.18434
1550.0000 -204.02574 -199.78076 4.24498 2.02578 -198.38863 505.11608
1555.0000 -204.65263 -198.88829 5.76433 1.95678 -199.66964 454.91782
1560.0000 -203.07126 -198.89997 4.17129 2.00319 -198.80814 484.70337
1565.0000 -204.69928 -199.79815 4.90112 1.99473 -198.96521 479.75770
1570.0000 -204.54846 -199.55367 4.99479 1.93535 -200.06765 441.83339
1575.0000 -203.92770 -199.70905 4.21864 1.95570 -199.68978 454.60851
1580.0000 -204.89162 -200.49326 4.39836 1.95115 -199.77423 452.62770
1585.0000 -205.11414 -199.64626 5.46789 1.96548 -199.50825 462.76678
1590.0000 -203.34623 -198.82004 4.52619 1.98942 -199.06372 481.30405
1595.0000 -204.90297 -200.27860 4.62437 1.95816 -199.64419 454.72705
1600.0000 -204.62945 -199.60117 5.02828 1.94022 -199.97716 435.75144
1605.0000 -204.56010 -199.96991 4.59018 1.95367 -199.72744 450.77226
1610.0000 -204.59127 -199.54136 5.04991 1.94331 -199.91973 439.10763
1615.0000 -204.00320 -199.00537 4.99783 1.99706 -198.92196 483.51133
1620.0000 -203.48384 -198.33789 5.14595 1.99946 -198.87739 480.05672
1625.0000 -203.76609 -198.55939 5.20670 2.06887 -197.58864 535.50523
1630.0000 -202.85162 -197.85179 4.99983 2.01303 -198.62544 498.60507
1635.0000 -203.33201 -198.27836 5.05365 2.06240 -197.70876 536.57090
1640.0000 -204.30361 -199.19805 5.10557 2.00980 -198.68533 498.47692
1645.0000 -203.48198 -198.09742 5.38456 2.03203 -198.27259 510.17717
1650.0000 -204.08070 -198.32768 5.75303 2.04230 -198.08186 528.33719
1655.0000 -204.04621 -199.16400 4.88221 2.02206 -198.45762 501.52860
1660.0000 -204.56649 -198.40502 6.16146 1.99064 -199.04116 479.11521
1665.0000 -204.39515 -199.56446 4.83069 2.00619 -198.75237 491.98918
1670.0000 -204.31962 -199.95659 4.36302 1.94417 -199.90386 445.49321
1675.0000 -204.72045 -199.12899 5.59145 1.95499 -199.70301 453.36403
1680.0000 -203.43650 -197.93481 5.50169 2.01760 -198.54052 501.84919
1685.0000 -203.13538 -197.99877 5.13660 2.04756 -197.98422 528.28047
1690.0000 -203.95792 -198.75262 5.20530 2.04487 -198.03424 518.88748
1695.0000 -204.08070 -198.44741 5.63329 1.99355 -198.98704 484.03710
1700.0000 -204.10114 -198.92813 5.17302 2.01808 -198.53160 502.02624
1705.0000 -203.71822 -198.80256 4.91566 2.00178 -198.83426 492.75663
1710.0000 -204.79178 -199.34781 5.44397 1.98369 -199.17010 478.24541
1715.0000 -203.16982 -198.17946 4.99036 2.00174 -198.83496 487.77541
1720.0000 -204.15760 -198.92549 5.23211 2.02746 -198.35748 506.68639
1725.0000 -204.80149 -199.87435 4.92713 1.95165 -199.76488 452.15477
1730.0000 -204.37579 -199.74849 4.62730 1.95831 -199.64130 457.84995
1735.0000 -203.97082 -200.14460 3.82622 1.96107 -199.59004 456.69132
1740.0000 -203.98262 -198.71747 5.26515 1.96140 -199.58391 455.35483
1745.0000 -204.73162 -198.90359 5.82803 2.02373 -198.42668 505.77170
1750.0000 -203.89674 -198.99335 4.90340 2.00117 -198.84557 488.37569
MELTING PROCESS: loop number 8 T-loop= 504.00000000000000
main_MD> interactions number 8 at Temperature= 504.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53952 0.04766 0.94772
force_rgl> df(natom) 0.21055 2.59222 0.30674
1755.0000 -203.05381 -198.06541 4.98840 2.04719 -197.99114 524.28473
1760.0000 -203.74310 -198.51413 5.22897 2.04096 -198.10676 515.44852
1765.0000 -202.84702 -198.00537 4.84165 2.03709 -198.17870 498.22427
1770.0000 -202.38224 -196.95480 5.42744 2.06142 -197.72685 502.26484
1775.0000 -203.06727 -197.83337 5.23390 2.07499 -197.47492 506.82695
1780.0000 -202.79485 -197.53360 5.26125 2.05249 -197.89281 493.92720
1785.0000 -202.47686 -197.90052 4.57633 2.03498 -198.21779 481.28779
1790.0000 -202.88252 -198.05641 4.82612 2.05388 -197.86701 485.06276
1795.0000 -202.62551 -196.47229 6.15322 2.08259 -197.33399 506.16198
1800.0000 -203.34893 -198.72820 4.62073 2.06231 -197.71041 494.57483
1805.0000 -202.91812 -198.32462 4.59351 2.00764 -198.72547 473.15814
1810.0000 -203.03449 -197.19424 5.84025 2.07021 -197.56376 527.91250
1815.0000 -203.10287 -197.67394 5.42893 2.07771 -197.42452 516.87021
1820.0000 -200.97637 -196.01941 4.95696 2.14366 -196.20008 535.63359
1825.0000 -201.57482 -196.36517 5.20965 2.14935 -196.09439 525.58156
1830.0000 -201.71928 -196.30439 5.41489 2.11412 -196.74852 492.74533
1835.0000 -202.11541 -197.47763 4.63778 2.11925 -196.65327 508.31443
1840.0000 -201.50657 -196.21755 5.28902 2.08238 -197.33771 487.99098
1845.0000 -201.62443 -196.94814 4.67629 2.10588 -196.90143 504.17771
1850.0000 -201.78613 -196.52460 5.26152 2.11021 -196.82115 515.17560
1855.0000 -202.45307 -197.49969 4.95338 2.08875 -197.21953 491.84493
1860.0000 -202.91501 -198.39946 4.51554 2.04884 -197.96054 465.95879
1865.0000 -201.82605 -196.25864 5.56741 2.06848 -197.59587 482.32225
1870.0000 -201.21964 -195.09038 6.12926 2.16381 -195.82599 572.72643
1875.0000 -202.17021 -197.31157 4.85864 2.14995 -196.08321 553.95294
1880.0000 -203.29061 -197.64222 5.64839 2.06257 -197.70550 499.58469
1885.0000 -202.89637 -198.72937 4.16700 2.03724 -198.17591 481.61931
1890.0000 -202.55288 -198.11437 4.43851 2.03543 -198.20943 482.66369
1895.0000 -201.51112 -196.48755 5.02357 2.10681 -196.88423 514.14646
1900.0000 -202.80324 -198.15813 4.64511 2.07627 -197.45132 494.87740
1905.0000 -203.24848 -198.14413 5.10435 2.04440 -198.04302 476.93308
1910.0000 -202.20509 -196.61053 5.59456 2.11405 -196.74977 531.10409
1915.0000 -203.16537 -197.28830 5.87707 2.08880 -197.21867 509.51972
1920.0000 -203.50784 -198.18598 5.32186 2.04480 -198.03558 485.75508
1925.0000 -203.58479 -197.56551 6.01928 2.07919 -197.39709 513.11776
1930.0000 -203.12651 -198.17041 4.95609 2.05583 -197.83067 490.30699
1935.0000 -203.49380 -198.38625 5.10754 2.02669 -198.37173 470.94796
1940.0000 -202.88485 -197.67749 5.20736 2.04151 -198.09667 492.56226
1945.0000 -203.04193 -197.78527 5.25666 2.03589 -198.20086 491.45740
1950.0000 -203.20865 -198.29981 4.90883 2.03181 -198.27660 475.97225
1955.0000 -202.76718 -197.29139 5.47578 2.04512 -198.02949 487.69388
1960.0000 -201.97512 -197.61695 4.35817 2.09086 -197.18035 507.22814
1965.0000 -202.81927 -197.85418 4.96509 2.04791 -197.97786 488.85700
1970.0000 -202.40952 -197.04189 5.36763 2.07060 -197.55651 503.54378
1975.0000 -201.88315 -195.36528 6.51787 2.13413 -196.37707 527.10060
1980.0000 -201.40163 -196.52465 4.87698 2.13102 -196.43466 499.30076
1985.0000 -202.36212 -198.08182 4.28030 2.08952 -197.20526 468.03664
1990.0000 -201.75882 -197.28960 4.46923 2.11056 -196.81465 495.55538
1995.0000 -200.68861 -195.68938 4.99923 2.13575 -196.34686 505.68961
2000.0000 -202.29718 -197.12824 5.16894 2.13826 -196.30028 512.05156
MELTING PROCESS: loop number 9 T-loop= 529.00000000000000
main_MD> interactions number 9 at Temperature= 529.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.14764 -0.52481 1.60109
force_rgl> df(natom) -2.26897 2.66071 -2.60702
2005.0000 -202.14305 -196.77361 5.36944 2.09521 -197.09965 494.72288
2010.0000 -203.36242 -198.38770 4.97472 2.04644 -198.00499 462.51977
2015.0000 -201.71876 -197.13997 4.57879 2.03618 -198.19565 452.66204
2020.0000 -202.87178 -197.43217 5.43961 2.08239 -197.33759 498.79311
2025.0000 -203.27236 -198.25478 5.01758 2.02288 -198.44247 439.41493
2030.0000 -202.61395 -197.47772 5.13622 2.05208 -197.90037 465.26602
2035.0000 -201.69157 -196.30503 5.38654 2.10178 -196.97768 506.07463
2040.0000 -201.88692 -196.71318 5.17374 2.14040 -196.26061 512.40621
2045.0000 -201.48950 -195.61228 5.87722 2.16403 -195.82187 535.87059
2050.0000 -201.08984 -195.53946 5.55038 2.14922 -196.09688 525.02644
2055.0000 -201.02660 -195.92690 5.09970 2.15875 -195.91981 532.79237
2060.0000 -202.27696 -197.10361 5.17335 2.13233 -196.41041 504.76567
2065.0000 -201.85283 -196.67150 5.18133 2.11260 -196.77675 524.36923
2070.0000 -201.77269 -196.60655 5.16615 2.10173 -196.97852 541.02540
2075.0000 -201.51337 -195.37739 6.13599 2.13677 -196.32797 557.92502
2080.0000 -201.14098 -194.74201 6.39897 2.21699 -194.83858 569.19156
2085.0000 -201.83215 -196.15896 5.67319 2.17960 -195.53270 548.83853
2090.0000 -201.52179 -195.81057 5.71122 2.15872 -195.92045 541.19123
2095.0000 -201.90926 -195.60627 6.30299 2.15288 -196.02880 544.67695
2100.0000 -201.31784 -195.53302 5.78482 2.18714 -195.39286 560.14842
2105.0000 -200.82183 -194.95138 5.87044 2.20818 -195.00212 569.42264
2110.0000 -201.18646 -194.99933 6.18713 2.21541 -194.86799 519.72520
2115.0000 -201.41062 -196.00280 5.40781 2.16731 -195.76088 522.22160
2120.0000 -202.32424 -195.92926 6.39497 2.15539 -195.98224 535.03908
2125.0000 -200.89455 -195.44692 5.44763 2.15883 -195.91834 543.38824
2130.0000 -201.55282 -195.58397 5.96884 2.19137 -195.31418 544.12789
2135.0000 -201.14777 -195.54311 5.60466 2.19738 -195.20259 547.38208
2140.0000 -201.62401 -196.02553 5.59849 2.18877 -195.36252 542.64588
2145.0000 -202.02640 -196.69535 5.33105 2.12142 -196.61292 502.89821
2150.0000 -200.60253 -194.55903 6.04350 2.19041 -195.33202 545.77131
2155.0000 -200.78253 -194.71951 6.06302 2.22939 -194.60840 570.29004
2160.0000 -200.44536 -194.47275 5.97261 2.24681 -194.28486 581.86534
2165.0000 -201.38184 -195.83348 5.54836 2.18661 -195.40255 538.41997
2170.0000 -201.27900 -196.05516 5.22383 2.15414 -196.00543 509.83315
2175.0000 -201.47369 -195.96409 5.50960 2.16621 -195.78142 526.72618
2180.0000 -202.41413 -195.81496 6.59917 2.15603 -195.97036 525.40387
2185.0000 -201.16675 -195.72820 5.43855 2.17397 -195.63728 533.36306
2190.0000 -201.21993 -195.86839 5.35154 2.14700 -196.13795 515.77777
2195.0000 -200.98764 -195.24575 5.74189 2.19104 -195.32047 546.83699
2200.0000 -201.57501 -195.76684 5.80816 2.15007 -196.08110 520.25007
2205.0000 -201.30208 -195.48409 5.81800 2.17914 -195.54138 557.99722
2210.0000 -200.76386 -195.39685 5.36700 2.18006 -195.52429 551.29328
2215.0000 -201.35882 -195.53886 5.81996 2.19729 -195.20432 565.21280
2220.0000 -201.28510 -196.41437 4.87073 2.14972 -196.08745 531.69913
2225.0000 -202.82766 -196.94297 5.88469 2.11624 -196.70911 523.96907
2230.0000 -200.63253 -195.73699 4.89555 2.08700 -197.25203 492.95203
2235.0000 -202.94510 -197.04572 5.89938 2.12254 -196.59209 544.33527
2240.0000 -203.08088 -197.14840 5.93247 2.11051 -196.81552 538.09069
2245.0000 -202.75669 -197.89068 4.86600 2.09093 -197.17903 515.15235
2250.0000 -202.03507 -196.84432 5.19076 2.07597 -197.45677 490.31877
MELTING PROCESS: loop number 10 T-loop= 554.00000000000000
main_MD> interactions number 10 at Temperature= 554.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.82947 -1.74395 0.33154
force_rgl> df(natom) -2.39957 -0.87478 0.81457
2255.0000 -201.97261 -195.53759 6.43502 2.13601 -196.34202 538.88279
2260.0000 -202.96633 -196.30725 6.65908 2.16764 -195.75478 566.60041
2265.0000 -202.19705 -196.68162 5.51544 2.15788 -195.93601 567.24529
2270.0000 -202.28938 -197.27137 5.01801 2.11383 -196.75380 536.31381
2275.0000 -201.67697 -196.76793 4.90904 2.10217 -196.97045 523.69700
2280.0000 -202.04027 -196.46988 5.57039 2.12769 -196.49655 540.83770
2285.0000 -201.75138 -196.13914 5.61223 2.13256 -196.40609 543.84752
2290.0000 -200.94826 -194.69753 6.25073 2.17802 -195.56213 578.26773
2295.0000 -201.13859 -195.05162 6.08698 2.24045 -194.40308 621.26918
2300.0000 -201.12974 -195.20956 5.92018 2.20402 -195.07936 584.76947
2305.0000 -201.62802 -195.89663 5.73139 2.20476 -195.06564 577.70620
2310.0000 -201.93648 -195.84712 6.08935 2.16761 -195.75546 551.49751
2315.0000 -201.17991 -195.45177 5.72814 2.16621 -195.78146 566.47782
2320.0000 -201.94286 -195.94200 6.00086 2.16734 -195.76042 553.03748
2325.0000 -201.56184 -195.25950 6.30234 2.16954 -195.71959 552.85633
2330.0000 -200.49758 -195.24607 5.25151 2.15733 -195.94623 519.84797
2335.0000 -199.55779 -195.15865 4.39914 2.18891 -195.35993 535.47687
2340.0000 -201.54485 -196.59232 4.95253 2.15368 -196.01397 519.74837
2345.0000 -201.30769 -196.66242 4.64527 2.13608 -196.34069 509.03929
2350.0000 -201.26374 -196.31460 4.94914 2.14943 -196.09301 539.10852
2355.0000 -201.58630 -195.50239 6.08391 2.13293 -196.39924 528.37446
2360.0000 -201.56261 -196.17490 5.38771 2.16426 -195.81760 551.36149
2365.0000 -201.29063 -195.74197 5.54866 2.15541 -195.98194 535.58261
2370.0000 -201.58599 -195.80739 5.77859 2.19353 -195.27405 569.70083
2375.0000 -202.04125 -196.75750 5.28375 2.14495 -196.17617 547.91284
2380.0000 -202.56397 -197.17163 5.39234 2.06439 -197.67173 502.21772
2385.0000 -201.60759 -196.79507 4.81252 2.12120 -196.61708 537.43316
2390.0000 -201.26913 -194.48341 6.78573 2.21711 -194.83640 583.93351
2395.0000 -199.69752 -194.59120 5.10632 2.23282 -194.54460 572.82955
2400.0000 -201.18372 -195.55718 5.62654 2.23769 -194.45431 589.00364
2405.0000 -200.61871 -195.27368 5.34502 2.17241 -195.66629 538.80543
2410.0000 -200.10248 -194.62566 5.47682 2.20124 -195.13100 543.89716
2415.0000 -201.08992 -194.89761 6.19231 2.25231 -194.18272 588.52165
2420.0000 -199.85137 -194.28596 5.56541 2.23003 -194.59647 566.57284
2425.0000 -201.57015 -196.11865 5.45150 2.17079 -195.69629 537.89486
2430.0000 -201.06708 -195.42916 5.63793 2.17449 -195.62760 542.92703
2435.0000 -201.78252 -196.12127 5.66126 2.15267 -196.03279 524.62598
2440.0000 -202.15444 -196.90612 5.24832 2.13808 -196.30364 527.92760
2445.0000 -201.27957 -195.54332 5.73625 2.13121 -196.43113 529.07039
2450.0000 -200.08338 -193.59015 6.49324 2.23164 -194.56659 586.66032
2455.0000 -199.81038 -194.02423 5.78615 2.27332 -193.79281 617.03653
2460.0000 -200.49182 -194.11354 6.37828 2.24210 -194.37245 600.21823
2465.0000 -200.13253 -194.13802 5.99451 2.27138 -193.82871 607.67665
2470.0000 -199.77863 -194.20281 5.57581 2.24749 -194.27232 581.94824
2475.0000 -200.50829 -194.74846 5.75983 2.24549 -194.30945 572.77671
2480.0000 -199.92112 -194.24750 5.67362 2.22332 -194.72111 564.61554
2485.0000 -200.45751 -194.36518 6.09233 2.22530 -194.68427 563.74091
2490.0000 -200.36917 -195.03150 5.33768 2.21816 -194.81690 568.94271
2495.0000 -201.37521 -194.71448 6.66073 2.21416 -194.89115 563.14848
2500.0000 -201.34476 -195.51471 5.83005 2.19333 -195.27794 525.77580
MELTING PROCESS: loop number 11 T-loop= 579.00000000000000
main_MD> interactions number 11 at Temperature= 579.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.80394 -1.59496 -0.91233
force_rgl> df(natom) -2.42584 -0.58153 -1.63271
2505.0000 -201.02059 -194.65733 6.36326 2.20690 -195.02594 536.15397
2510.0000 -200.84468 -194.74826 6.09642 2.20515 -195.05838 549.36275
2515.0000 -200.24567 -194.80959 5.43608 2.22726 -194.64784 581.13858
2520.0000 -200.11436 -194.07181 6.04255 2.26096 -194.02217 615.33129
2525.0000 -201.13087 -194.49572 6.63515 2.22562 -194.67840 591.13231
2530.0000 -200.89858 -194.56960 6.32898 2.23438 -194.51578 598.21787
2535.0000 -200.94989 -195.20925 5.74064 2.23015 -194.59424 591.58981
2540.0000 -200.18035 -195.07372 5.10663 2.21933 -194.79504 557.83102
2545.0000 -200.98428 -195.03735 5.94693 2.21675 -194.84302 549.66562
2550.0000 -200.71219 -194.93228 5.77991 2.21833 -194.81372 556.07359
2555.0000 -200.13010 -194.26440 5.86570 2.21411 -194.89204 576.76980
2560.0000 -199.99795 -193.60532 6.39263 2.26991 -193.85611 585.60277
2565.0000 -200.67845 -195.49348 5.18498 2.23862 -194.43706 570.66038
2570.0000 -201.15361 -195.38701 5.76660 2.18619 -195.41040 534.92679
2575.0000 -200.36524 -194.47063 5.89461 2.19718 -195.20633 529.92359
2580.0000 -201.21532 -194.91825 6.29707 2.22941 -194.60790 589.62567
2585.0000 -199.68816 -194.43231 5.25585 2.23737 -194.46021 582.83971
2590.0000 -200.58061 -194.63233 5.94828 2.24581 -194.30357 602.88173
2595.0000 -199.38522 -191.93453 7.45068 2.28110 -193.64830 611.26648
2600.0000 -199.95988 -193.02115 6.93873 2.36218 -192.14297 660.65870
2605.0000 -201.74527 -194.68805 7.05721 2.27308 -193.79712 610.59497
2610.0000 -200.60244 -194.52608 6.07636 2.23350 -194.53209 601.21084
2615.0000 -199.82287 -193.69540 6.12747 2.28105 -193.64926 628.37842
2620.0000 -200.84210 -194.53177 6.31033 2.24417 -194.33401 583.04645
2625.0000 -199.18349 -193.02122 6.16227 2.27480 -193.76530 598.62199
2630.0000 -201.04574 -194.25524 6.79050 2.24830 -194.25729 563.10121
2635.0000 -200.51357 -194.80606 5.70751 2.27306 -193.79748 603.78647
2640.0000 -198.72328 -192.86825 5.85503 2.27806 -193.70474 600.92765
2645.0000 -200.32187 -194.29322 6.02865 2.26571 -193.93393 587.97741
2650.0000 -200.14442 -193.69734 6.44708 2.27288 -193.80081 592.67814
2655.0000 -198.59889 -192.09640 6.50249 2.32872 -192.76417 609.38494
2660.0000 -200.56637 -194.07260 6.49377 2.30242 -193.25240 594.98797
2665.0000 -200.74931 -194.97380 5.77551 2.25424 -194.14704 570.06337
2670.0000 -200.91392 -194.10645 6.80747 2.23365 -194.52918 566.51111
2675.0000 -200.82936 -195.07372 5.75564 2.20332 -195.09229 555.56151
2680.0000 -201.05892 -194.82786 6.23106 2.20889 -194.98898 582.16075
2685.0000 -200.49950 -194.68739 5.81210 2.22748 -194.64375 609.22742
2690.0000 -200.70133 -195.14905 5.55228 2.22998 -194.59743 564.37283
2695.0000 -201.15356 -196.00687 5.14670 2.16896 -195.73028 536.26806
2700.0000 -201.14979 -194.52987 6.61992 2.18790 -195.37859 560.87998
2705.0000 -200.54840 -193.88641 6.66199 2.24835 -194.25637 602.64642
2710.0000 -199.79306 -193.94303 5.85003 2.26411 -193.96368 597.51100
2715.0000 -200.99460 -195.37541 5.61919 2.24413 -194.33469 552.57232
2720.0000 -201.32088 -195.49541 5.82547 2.18210 -195.48640 536.25100
2725.0000 -200.77397 -195.25367 5.52030 2.22898 -194.61604 576.02746
2730.0000 -201.58680 -196.34571 5.24109 2.17892 -195.54540 541.18719
2735.0000 -201.02399 -194.23779 6.78620 2.20681 -195.02754 579.31826
2740.0000 -201.07946 -194.80069 6.27877 2.20479 -195.06500 560.21432
2745.0000 -199.79896 -193.51482 6.28414 2.27911 -193.68523 604.73343
2750.0000 -200.65893 -195.09837 5.56057 2.25057 -194.21509 589.44196
MELTING PROCESS: loop number 12 T-loop= 604.00000000000000
main_MD> interactions number 12 at Temperature= 604.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57028 -2.21370 -1.54064
force_rgl> df(natom) 3.28071 0.16894 1.62012
2755.0000 -200.30091 -194.24858 6.05234 2.22832 -194.62827 564.80831
2760.0000 -201.22615 -194.71075 6.51540 2.23559 -194.49317 578.45359
2765.0000 -200.28910 -194.44253 5.84657 2.24863 -194.25121 584.20460
2770.0000 -199.46707 -193.08344 6.38364 2.28061 -193.65739 603.66319
2775.0000 -199.23872 -193.61930 5.61941 2.30235 -193.25380 605.30884
2780.0000 -199.31166 -193.92674 5.38492 2.28739 -193.53159 596.54576
2785.0000 -198.85124 -192.47218 6.37906 2.28878 -193.50562 631.49439
2790.0000 -200.33020 -193.27048 7.05972 2.31030 -193.10622 659.41632
2795.0000 -200.51213 -194.51538 5.99676 2.25686 -194.09828 593.61177
2800.0000 -201.14202 -194.45827 6.68375 2.24640 -194.29249 589.82025
2805.0000 -200.08430 -193.81303 6.27127 2.23434 -194.51637 588.14455
2810.0000 -200.00920 -193.95842 6.05079 2.25225 -194.18390 585.80450
2815.0000 -198.76123 -192.55610 6.20512 2.34605 -192.44237 646.29362
2820.0000 -199.14798 -192.71981 6.42817 2.33910 -192.57146 632.29701
2825.0000 -199.06939 -192.22853 6.84085 2.34677 -192.42899 654.78635
2830.0000 -198.85760 -191.47800 7.37960 2.37447 -191.91470 652.05165
2835.0000 -198.89912 -192.39550 6.50362 2.36591 -192.07366 656.86594
2840.0000 -200.53212 -193.91508 6.61704 2.28515 -193.57304 619.89009
2845.0000 -200.86246 -195.16481 5.69765 2.21246 -194.92264 550.83661
2850.0000 -200.98492 -193.70415 7.28077 2.27769 -193.71162 613.60481
2855.0000 -201.40393 -194.42633 6.97760 2.29159 -193.45356 633.28011
2860.0000 -199.71280 -193.79388 5.91892 2.25323 -194.16580 604.59050
2865.0000 -199.69849 -194.28439 5.41411 2.26307 -193.98299 602.36700
2870.0000 -198.57627 -192.65434 5.92193 2.28557 -193.56530 615.27751
2875.0000 -199.96117 -193.57576 6.38541 2.29392 -193.41024 620.69648
2880.0000 -200.07465 -193.98262 6.09204 2.26253 -193.99300 595.84209
2885.0000 -200.00674 -194.05183 5.95491 2.23884 -194.43288 575.58533
2890.0000 -200.12366 -194.25483 5.86883 2.25131 -194.20143 583.45903
2895.0000 -199.10501 -193.04592 6.05909 2.29045 -193.47476 609.86620
2900.0000 -199.10830 -193.06982 6.03848 2.31023 -193.10744 610.28974
2905.0000 -198.98220 -192.37659 6.60561 2.36494 -192.09172 671.00608
2910.0000 -198.60480 -191.81690 6.78790 2.38757 -191.67156 693.66048
2915.0000 -197.79907 -191.48703 6.31204 2.41644 -191.13556 710.64459
2920.0000 -200.15359 -194.75286 5.40073 2.31997 -192.92667 629.19213
2925.0000 -201.20557 -194.16985 7.03572 2.24904 -194.24350 582.81509
2930.0000 -201.04026 -194.72189 6.31838 2.24886 -194.24692 591.37114
2935.0000 -200.79249 -195.08091 5.71158 2.23565 -194.49214 584.53742
2940.0000 -200.02873 -194.13043 5.89830 2.28109 -193.64842 615.67694
2945.0000 -200.61464 -194.24826 6.36639 2.26208 -194.00148 595.92320
2950.0000 -199.30976 -193.58530 5.72446 2.29372 -193.41403 622.90223
2955.0000 -201.73356 -195.11563 6.61793 2.22851 -194.62464 579.33345
2960.0000 -200.38695 -194.87432 5.51263 2.22728 -194.64760 585.22129
2965.0000 -200.07462 -194.18479 5.88983 2.22457 -194.69776 588.14184
2970.0000 -199.21701 -193.18607 6.03094 2.29525 -193.38548 633.51718
2975.0000 -198.41357 -192.29106 6.12251 2.33523 -192.64324 636.36751
2980.0000 -199.49976 -192.14861 7.35116 2.32736 -192.78946 645.80401
2985.0000 -200.19167 -193.44794 6.74373 2.32023 -192.92179 638.49534
2990.0000 -198.65704 -192.56971 6.08733 2.28777 -193.52450 584.80653
2995.0000 -200.88045 -194.46797 6.41248 2.26181 -194.00651 574.59450
3000.0000 -198.49175 -192.39658 6.09517 2.30738 -193.16042 639.43714
MELTING PROCESS: loop number 13 T-loop= 629.00000000000000
main_MD> interactions number 13 at Temperature= 629.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.86850 5.18770 0.23934
force_rgl> df(natom) -0.53754 -1.87794 2.11401
3005.0000 -198.41171 -192.16703 6.24468 2.33704 -192.60961 638.92414
3010.0000 -198.37412 -191.73991 6.63421 2.37004 -191.99708 638.04338
3015.0000 -199.85982 -192.87369 6.98612 2.37537 -191.89808 650.77896
3020.0000 -199.45526 -192.18683 7.26844 2.32001 -192.92596 634.80082
3025.0000 -199.74027 -193.81612 5.92415 2.31618 -192.99701 633.32289
3030.0000 -200.58366 -195.37851 5.20514 2.24155 -194.38258 601.99820
3035.0000 -200.18926 -193.78883 6.40042 2.22561 -194.67848 617.67696
3040.0000 -199.69877 -193.63733 6.06144 2.30003 -193.29679 649.15464
3045.0000 -200.15292 -194.01613 6.13679 2.26535 -193.94064 591.25112
3050.0000 -200.21640 -193.92434 6.29206 2.26340 -193.97699 590.11664
3055.0000 -198.79147 -191.92562 6.86585 2.34296 -192.49973 654.34406
3060.0000 -199.35697 -192.17971 7.17726 2.37112 -191.97699 670.78047
3065.0000 -200.93707 -193.07820 7.85887 2.34140 -192.52879 653.96400
3070.0000 -200.06614 -192.39294 7.67319 2.34807 -192.40491 649.86428
3075.0000 -199.28081 -192.47177 6.80904 2.37939 -191.82332 697.29972
3080.0000 -199.68692 -193.04950 6.63741 2.34935 -192.38112 697.22777
3085.0000 -197.96953 -191.00861 6.96091 2.36239 -192.13909 676.69727
3090.0000 -199.07671 -191.99389 7.08283 2.37513 -191.90255 662.61589
3095.0000 -199.63599 -193.05635 6.57965 2.35008 -192.36753 666.55516
3100.0000 -199.91361 -193.50420 6.40941 2.30991 -193.11343 645.96675
3105.0000 -199.26789 -191.97227 7.29563 2.32617 -192.81143 663.01487
3110.0000 -198.77675 -192.36425 6.41250 2.36337 -192.12081 668.69181
3115.0000 -199.17645 -193.04263 6.13382 2.36457 -192.09856 634.74477
3120.0000 -201.31495 -194.08842 7.22653 2.28959 -193.49064 618.73661
3125.0000 -200.35677 -193.81475 6.54202 2.28974 -193.48790 614.13666
3130.0000 -200.40606 -193.82705 6.57901 2.30060 -193.28630 622.87006
3135.0000 -200.45382 -193.29649 7.15733 2.27654 -193.73298 591.69271
3140.0000 -199.27680 -192.57563 6.70117 2.31295 -193.05688 627.83874
3145.0000 -198.85674 -192.76503 6.09171 2.35907 -192.20068 630.32676
3150.0000 -198.03182 -192.35139 5.68043 2.32570 -192.82032 608.25333
3155.0000 -198.44239 -192.66751 5.77488 2.35219 -192.32836 649.26644
3160.0000 -198.76780 -191.81201 6.95579 2.30246 -193.25167 607.23779
3165.0000 -198.83036 -192.61239 6.21797 2.37000 -191.99774 646.37155
3170.0000 -199.63261 -193.14072 6.49189 2.32157 -192.89688 620.78550
3175.0000 -198.73403 -192.38482 6.34921 2.32855 -192.76723 611.30370
3180.0000 -198.18698 -191.78401 6.40297 2.36534 -192.08428 640.43712
3185.0000 -199.84561 -192.24731 7.59831 2.36172 -192.15155 657.14595
3190.0000 -199.24303 -191.77861 7.46442 2.33157 -192.71127 626.78431
3195.0000 -199.61333 -193.33684 6.27649 2.35825 -192.21589 649.28167
3200.0000 -199.04353 -192.43873 6.60480 2.34828 -192.40093 651.28933
3205.0000 -200.91560 -192.70919 8.20640 2.34374 -192.48525 647.19871
3210.0000 -199.55800 -193.57630 5.98170 2.31608 -192.99888 647.87351
3215.0000 -199.74469 -193.07173 6.67296 2.31868 -192.95058 648.44722
3220.0000 -199.42758 -192.88406 6.54353 2.29619 -193.36812 632.56554
3225.0000 -200.05002 -193.81776 6.23225 2.28675 -193.54347 618.62907
3230.0000 -200.29124 -194.44187 5.84938 2.27859 -193.69493 609.59955
3235.0000 -200.14394 -193.76889 6.37504 2.23057 -194.58651 570.74420
3240.0000 -199.68886 -193.64739 6.04146 2.29083 -193.46770 617.00509
3245.0000 -199.95914 -192.64035 7.31879 2.33408 -192.66462 650.51692
3250.0000 -199.48082 -193.07193 6.40889 2.29805 -193.33362 635.48688
MELTING PROCESS: loop number 14 T-loop= 654.00000000000000
main_MD> interactions number 14 at Temperature= 654.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.34570 -2.57035 -2.09334
force_rgl> df(natom) -3.45512 0.65425 -4.21616
3255.0000 -199.65027 -192.68857 6.96171 2.32560 -192.82208 663.27450
3260.0000 -198.10335 -191.80711 6.29625 2.37841 -191.84154 670.38988
3265.0000 -198.20858 -191.31638 6.89220 2.41247 -191.20916 656.94147
3270.0000 -198.82548 -190.80009 8.02540 2.41879 -191.09182 675.76186
3275.0000 -198.97571 -193.02943 5.94628 2.38967 -191.63260 670.11504
3280.0000 -199.42202 -193.11911 6.30291 2.32578 -192.81872 640.95939
3285.0000 -200.14608 -192.89489 7.25119 2.32863 -192.76581 641.34207
3290.0000 -199.80155 -193.36979 6.43177 2.31923 -192.94042 670.67242
3295.0000 -198.59920 -191.65080 6.94840 2.28742 -193.53087 637.12118
3300.0000 -199.22912 -192.15086 7.07826 2.35338 -192.30628 636.12455
3305.0000 -198.83973 -193.04590 5.79383 2.34328 -192.49390 642.19274
3310.0000 -200.12963 -193.20122 6.92841 2.31343 -193.04812 641.21091
3315.0000 -198.26917 -191.21947 7.04969 2.36499 -192.09070 678.87141
3320.0000 -198.21269 -191.14529 7.06740 2.39404 -191.55147 676.20426
3325.0000 -198.42137 -190.84401 7.57737 2.40470 -191.35353 709.71495
3330.0000 -199.19508 -191.00657 8.18851 2.42421 -190.99121 692.44351
3335.0000 -197.19105 -190.67368 6.51737 2.44285 -190.64524 714.51219
3340.0000 -198.44032 -191.65962 6.78070 2.39073 -191.61285 649.77529
3345.0000 -198.45320 -191.01686 7.43633 2.44910 -190.52915 705.68356
3350.0000 -196.52920 -189.71136 6.81784 2.45552 -190.40987 714.62760
3355.0000 -197.02847 -189.64393 7.38454 2.48359 -189.88883 746.28174
3360.0000 -198.27907 -192.07598 6.20310 2.40013 -191.43840 673.45163
3365.0000 -199.08385 -192.71375 6.37010 2.36296 -192.12840 637.84886
3370.0000 -197.13943 -191.41726 5.72218 2.41625 -191.13913 693.73808
3375.0000 -198.53890 -191.91953 6.61937 2.41235 -191.21143 699.68656
3380.0000 -199.66437 -192.75488 6.90949 2.37701 -191.86755 669.25577
3385.0000 -198.98660 -191.96076 7.02583 2.35477 -192.28056 656.24011
3390.0000 -200.62341 -194.24209 6.38132 2.31476 -193.02335 636.99629
3395.0000 -200.09212 -193.89779 6.19434 2.27998 -193.66912 614.65884
3400.0000 -199.36837 -194.00049 5.36787 2.24809 -194.26116 585.10871
3405.0000 -198.91110 -192.08869 6.82241 2.34656 -192.43292 642.33977
3410.0000 -199.00820 -192.80980 6.19840 2.35666 -192.24547 665.00517
3415.0000 -199.69637 -193.11500 6.58137 2.29377 -193.41305 627.38323
3420.0000 -198.87607 -191.41294 7.46313 2.36776 -192.03938 675.61318
3425.0000 -199.85655 -192.45187 7.40468 2.34677 -192.42912 661.53838
3430.0000 -198.09611 -190.91644 7.17967 2.37670 -191.87339 667.81214
3435.0000 -199.77531 -192.13993 7.63538 2.36744 -192.04520 658.61456
3440.0000 -199.03984 -192.14633 6.89351 2.37375 -191.92813 665.69712
3445.0000 -198.74352 -191.79238 6.95114 2.38574 -191.70548 690.95819
3450.0000 -199.17745 -192.73391 6.44355 2.30890 -193.13206 605.19566
3455.0000 -199.21859 -193.33187 5.88671 2.32213 -192.88659 636.22725
3460.0000 -200.33220 -192.78312 7.54908 2.27810 -193.70403 605.88558
3465.0000 -200.51593 -194.63322 5.88271 2.27182 -193.82053 619.90182
3470.0000 -198.38690 -192.41526 5.97164 2.29509 -193.38852 606.68910
3475.0000 -199.83528 -192.67471 7.16058 2.31899 -192.94478 614.79170
3480.0000 -198.55037 -192.02582 6.52454 2.33354 -192.67470 619.92790
3485.0000 -198.96955 -191.66931 7.30024 2.39255 -191.57908 675.77693
3490.0000 -198.77830 -191.40211 7.37620 2.41787 -191.10894 689.04175
3495.0000 -199.61835 -192.50736 7.11099 2.35449 -192.28576 654.49184
3500.0000 -198.71113 -191.93389 6.77724 2.35161 -192.33916 647.15137
MELTING PROCESS: loop number 15 T-loop= 679.00000000000000
main_MD> interactions number 15 at Temperature= 679.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.51458 2.30824 0.90808
force_rgl> df(natom) 2.93718 1.65986 -0.10401
3505.0000 -198.18133 -190.97322 7.20811 2.41150 -191.22717 684.32576
3510.0000 -198.31278 -190.85391 7.45887 2.43201 -190.84643 700.50207
3515.0000 -197.99280 -191.74804 6.24476 2.44538 -190.59824 680.33602
3520.0000 -198.40380 -191.40243 7.00138 2.36451 -192.09970 641.26982
3525.0000 -198.41290 -191.66389 6.74901 2.42999 -190.88388 695.96866
3530.0000 -196.34330 -188.97193 7.37138 2.44851 -190.54012 678.75445
3535.0000 -197.31793 -190.08581 7.23212 2.46898 -190.16001 715.78142
3540.0000 -198.41724 -191.73030 6.68694 2.44575 -190.59125 700.25410
3545.0000 -200.46986 -193.59769 6.87217 2.33005 -192.73952 651.98386
3550.0000 -199.76431 -192.98317 6.78114 2.31788 -192.96537 641.53324
3555.0000 -199.56781 -192.58159 6.98622 2.37418 -191.92017 679.65182
3560.0000 -198.74473 -192.97957 5.76516 2.34586 -192.44595 646.81671
3565.0000 -198.40901 -191.06372 7.34529 2.37920 -191.82687 671.52923
3570.0000 -198.74873 -191.52921 7.21952 2.41495 -191.16312 706.10001
3575.0000 -198.30620 -190.61156 7.69463 2.47348 -190.07652 724.65475
3580.0000 -200.05887 -191.12787 8.93100 2.42089 -191.05282 703.02477
3585.0000 -200.14884 -192.91859 7.23025 2.42356 -191.00336 721.03687
3590.0000 -198.23257 -191.25265 6.97992 2.35636 -192.25102 667.69562
3595.0000 -199.68095 -191.44066 8.24029 2.37353 -191.93224 673.14052
3600.0000 -197.98043 -190.55202 7.42841 2.44952 -190.52131 702.40160
3605.0000 -198.76821 -191.40768 7.36052 2.42702 -190.93902 690.34680
3610.0000 -199.67095 -191.77892 7.89204 2.40009 -191.43905 678.37386
3615.0000 -197.85183 -190.51962 7.33221 2.41248 -191.20897 685.63040
3620.0000 -196.57357 -188.46227 8.11130 2.47553 -190.03847 711.57887
3625.0000 -197.42705 -190.29032 7.13673 2.52346 -189.14851 780.03695
3630.0000 -197.95025 -191.45411 6.49614 2.38700 -191.68217 663.71035
3635.0000 -198.71364 -191.20414 7.50950 2.41965 -191.07590 675.09598
3640.0000 -198.90713 -192.26888 6.63825 2.36930 -192.01067 662.03268
3645.0000 -198.92685 -191.65223 7.27462 2.34612 -192.44118 654.23193
3650.0000 -197.91059 -190.17508 7.73550 2.42557 -190.96607 704.33272
3655.0000 -198.99215 -191.82183 7.17032 2.42866 -190.90863 688.06964
3660.0000 -198.32491 -192.11632 6.20859 2.34838 -192.39913 655.83591
3665.0000 -199.14335 -191.62372 7.51963 2.40022 -191.43672 677.51708
3670.0000 -200.51319 -192.77492 7.73828 2.35800 -192.22061 647.82109
3675.0000 -198.27608 -191.21529 7.06079 2.38426 -191.73293 663.97291
3680.0000 -198.82892 -191.98211 6.84681 2.39236 -191.58258 680.85494
3685.0000 -196.87406 -190.71283 6.16124 2.35941 -192.19444 640.84132
3690.0000 -195.91464 -188.98317 6.93147 2.47950 -189.96477 727.72762
3695.0000 -197.99316 -190.07671 7.91645 2.50624 -189.46833 740.01549
3700.0000 -198.38574 -190.91293 7.47281 2.44824 -190.54515 694.76826
3705.0000 -198.06902 -190.61039 7.45863 2.44072 -190.68466 678.24008
3710.0000 -196.66695 -190.49426 6.17268 2.46727 -190.19180 691.43430
3715.0000 -197.65495 -191.96448 5.69047 2.40444 -191.35829 664.12490
3720.0000 -198.30112 -191.43855 6.86256 2.37717 -191.86457 670.49943
3725.0000 -197.63075 -190.10266 7.52809 2.42541 -190.96893 691.71326
3730.0000 -197.50860 -189.96321 7.54540 2.49115 -189.74847 741.62424
3735.0000 -198.41927 -189.69157 8.72769 2.44786 -190.55209 700.08291
3740.0000 -199.02560 -190.99534 8.03026 2.43210 -190.84480 730.86188
3745.0000 -197.17978 -190.40467 6.77511 2.43309 -190.82634 712.12943
3750.0000 -195.98678 -188.85843 7.12834 2.48741 -189.81779 717.18406
MELTING PROCESS: loop number 16 T-loop= 704.00000000000000
main_MD> interactions number 16 at Temperature= 704.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.92573 -0.78701 1.17990
force_rgl> df(natom) -1.76684 4.23303 2.10630
3755.0000 -195.77417 -188.47378 7.30039 2.55115 -188.63450 778.26342
3760.0000 -198.06667 -189.41677 8.64991 2.54912 -188.67214 754.11765
3765.0000 -197.17146 -188.99099 8.18047 2.49761 -189.62856 737.02811
3770.0000 -198.76848 -190.92354 7.84494 2.46728 -190.19165 726.17898
3775.0000 -197.54052 -190.78567 6.75485 2.41781 -191.11008 694.19987
3780.0000 -197.12534 -189.73172 7.39362 2.47458 -190.05603 743.47384
3785.0000 -199.45660 -191.94218 7.51441 2.43162 -190.85366 731.93531
3790.0000 -200.57669 -192.15360 8.42308 2.34464 -192.46852 669.73076
3795.0000 -199.44644 -193.06848 6.37796 2.32144 -192.89936 668.91502
3800.0000 -197.82392 -190.02363 7.80029 2.40283 -191.38828 697.22644
3805.0000 -199.14891 -192.01259 7.13632 2.42571 -190.96336 739.90359
3810.0000 -199.80993 -192.89756 6.91237 2.34975 -192.37363 674.48742
3815.0000 -198.45913 -191.46394 6.99519 2.36674 -192.05821 669.36727
3820.0000 -198.42776 -189.97674 8.45102 2.45635 -190.39460 731.66389
3825.0000 -197.77454 -190.93452 6.84003 2.49147 -189.74248 737.90428
3830.0000 -197.16908 -189.65721 7.51187 2.43729 -190.74840 698.24216
3835.0000 -198.60979 -191.68428 6.92552 2.45705 -190.38152 712.23020
3840.0000 -199.00756 -191.91268 7.09488 2.38258 -191.76426 681.55933
3845.0000 -199.46932 -192.71162 6.75770 2.38812 -191.66133 663.23089
3850.0000 -198.91039 -191.61799 7.29240 2.36766 -192.04109 674.59814
3855.0000 -198.01742 -190.73702 7.28040 2.39697 -191.49702 694.76027
3860.0000 -197.96496 -190.38862 7.57634 2.45712 -190.38032 712.12449
3865.0000 -198.21737 -190.63684 7.58053 2.47184 -190.10691 710.99087
3870.0000 -198.50479 -192.10969 6.39510 2.42669 -190.94513 703.59231
3875.0000 -197.62440 -190.18582 7.43858 2.45356 -190.44633 738.82581
3880.0000 -198.07918 -190.69317 7.38601 2.46856 -190.16785 737.40331
3885.0000 -197.08814 -189.85052 7.23762 2.48970 -189.77526 746.11128
3890.0000 -197.29921 -190.27213 7.02708 2.47968 -189.96134 716.41160
3895.0000 -199.00760 -191.47987 7.52772 2.40788 -191.29448 672.57815
3900.0000 -198.32927 -191.47688 6.85238 2.42360 -191.00265 694.37760
3905.0000 -198.17319 -191.64871 6.52449 2.44746 -190.55956 714.62140
3910.0000 -199.00725 -190.95516 8.05208 2.45985 -190.32957 732.59975
3915.0000 -198.59435 -191.28907 7.30528 2.41883 -191.09110 699.73486
3920.0000 -199.73470 -192.07822 7.65648 2.40316 -191.38209 689.71276
3925.0000 -197.99747 -190.54564 7.45183 2.40881 -191.27709 692.85876
3930.0000 -197.74779 -191.16654 6.58125 2.43557 -190.78026 727.02532
3935.0000 -196.95620 -188.50902 8.44719 2.50323 -189.52417 756.66037
3940.0000 -198.65573 -191.79948 6.85626 2.55624 -188.53991 780.60583
3945.0000 -198.87788 -192.27402 6.60386 2.37347 -191.93332 673.65664
3950.0000 -198.36600 -190.75638 7.60962 2.38538 -191.71215 657.96748
3955.0000 -198.69705 -190.58581 8.11125 2.45479 -190.42353 723.43041
3960.0000 -198.54831 -192.25593 6.29239 2.40474 -191.35266 697.94185
3965.0000 -198.33155 -190.84448 7.48707 2.41583 -191.14678 700.60029
3970.0000 -198.92287 -190.29777 8.62510 2.41583 -191.14689 702.71805
3975.0000 -199.09291 -190.77731 8.31560 2.43877 -190.72088 696.24744
3980.0000 -198.54785 -191.64055 6.90730 2.45728 -190.37723 705.31581
3985.0000 -198.09841 -191.46310 6.63531 2.43101 -190.86494 703.96796
3990.0000 -198.03575 -191.00934 7.02641 2.42509 -190.97499 692.86768
3995.0000 -198.35499 -190.24996 8.10504 2.41168 -191.22396 668.70967
4000.0000 -199.25718 -192.67690 6.58029 2.40602 -191.32907 681.36261
MELTING PROCESS: loop number 17 T-loop= 729.00000000000000
main_MD> interactions number 17 at Temperature= 729.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.04157 0.82526 -5.28651
force_rgl> df(natom) 3.35503 0.12320 -2.13347
4005.0000 -197.42354 -189.96954 7.45400 2.40832 -191.28623 697.47811
4010.0000 -198.60743 -192.57353 6.03390 2.41021 -191.25127 684.43728
4015.0000 -198.56375 -190.90646 7.65729 2.40170 -191.40919 683.58313
4020.0000 -198.42506 -191.42432 7.00074 2.42210 -191.03046 698.85284
4025.0000 -198.37816 -191.70889 6.66927 2.40167 -191.40968 672.40703
4030.0000 -198.04546 -190.31884 7.72662 2.42924 -190.89794 695.15613
4035.0000 -196.38377 -188.50425 7.87951 2.50074 -189.57043 766.81421
4040.0000 -196.72300 -189.06947 7.65353 2.53627 -188.91068 764.17720
4045.0000 -198.48973 -190.80867 7.68105 2.51204 -189.36065 744.08751
4050.0000 -197.58838 -189.77492 7.81346 2.44014 -190.69545 702.01354
4055.0000 -199.05818 -190.19565 8.86253 2.49160 -189.74007 738.86304
4060.0000 -196.87633 -190.18196 6.69437 2.46837 -190.17143 715.05032
4065.0000 -198.44823 -190.87985 7.56838 2.38808 -191.66214 681.39484
4070.0000 -196.84366 -189.24668 7.59698 2.43582 -190.77563 708.58790
4075.0000 -196.85923 -190.38302 6.47621 2.52347 -189.14835 765.26650
4080.0000 -199.05830 -192.82818 6.23012 2.43126 -190.86034 707.35375
4085.0000 -199.89298 -192.59548 7.29750 2.35421 -192.29086 654.91389
4090.0000 -198.44283 -191.91681 6.52602 2.38393 -191.73909 680.38670
4095.0000 -199.40841 -191.60100 7.80741 2.37088 -191.98135 665.16381
4100.0000 -199.11186 -192.31537 6.79648 2.42734 -190.93319 718.28870
4105.0000 -197.97026 -190.69672 7.27355 2.40438 -191.35945 703.93461
4110.0000 -198.02400 -190.04396 7.98004 2.43098 -190.86552 704.88210
4115.0000 -197.61193 -190.77348 6.83845 2.49616 -189.65549 739.66935
4120.0000 -197.37291 -189.53879 7.83412 2.44727 -190.56312 708.62920
4125.0000 -196.87340 -190.37484 6.49856 2.50400 -189.50975 743.18720
4130.0000 -198.41590 -190.25089 8.16501 2.45758 -190.37161 724.31317
4135.0000 -196.81464 -189.90551 6.90913 2.46216 -190.28665 725.54768
4140.0000 -197.64791 -189.62490 8.02301 2.50262 -189.53540 757.66827
4145.0000 -197.45730 -189.79865 7.65865 2.48951 -189.77881 759.63815
4150.0000 -198.09260 -190.84304 7.24955 2.46485 -190.23670 716.53917
4155.0000 -198.29670 -190.17642 8.12028 2.44328 -190.63714 728.03872
4160.0000 -196.65623 -189.46187 7.19435 2.47369 -190.07252 734.06281
4165.0000 -197.10561 -190.13868 6.96692 2.51246 -189.35273 764.98525
4170.0000 -197.84624 -191.08588 6.76036 2.48461 -189.86978 724.71807
4175.0000 -197.06951 -190.00098 7.06853 2.46190 -190.29155 723.98000
4180.0000 -198.49883 -190.39859 8.10023 2.46676 -190.20126 706.43919
4185.0000 -198.10360 -190.92641 7.17719 2.41657 -191.13310 678.73048
4190.0000 -198.20744 -190.52712 7.68032 2.46957 -190.14903 709.04083
4195.0000 -198.69269 -189.81871 8.87398 2.46764 -190.18495 740.66798
4200.0000 -196.74899 -189.83017 6.91882 2.53330 -188.96580 772.15007
4205.0000 -198.22261 -189.11075 9.11187 2.50681 -189.45776 734.29728
4210.0000 -199.49592 -191.35766 8.13826 2.50697 -189.45478 741.77218
4215.0000 -198.09696 -190.45716 7.63981 2.42398 -190.99552 703.06687
4220.0000 -197.07242 -189.74632 7.32610 2.46276 -190.27547 727.46875
4225.0000 -196.91902 -189.43945 7.47957 2.50236 -189.54026 749.61893
4230.0000 -199.63831 -192.02023 7.61808 2.42587 -190.96039 699.41052
4235.0000 -198.04660 -190.07905 7.96755 2.40411 -191.36441 706.54022
4240.0000 -197.99532 -190.16940 7.82592 2.44719 -190.56469 714.25041
4245.0000 -196.91139 -190.56444 6.34695 2.48842 -189.79903 731.94938
4250.0000 -197.66330 -189.85625 7.80705 2.45215 -190.47245 713.22561
MELTING PROCESS: loop number 18 T-loop= 754.00000000000000
main_MD> interactions number 18 at Temperature= 754.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.25962 1.05209 -3.42076
force_rgl> df(natom) -2.59209 -1.33675 2.48615
4255.0000 -196.19102 -188.06673 8.12429 2.53494 -188.93542 764.34664
4260.0000 -196.49470 -188.77143 7.72326 2.51827 -189.24491 769.93596
4265.0000 -196.54852 -189.20690 7.34162 2.53113 -189.00607 764.91786
4270.0000 -197.47292 -189.78320 7.68972 2.51514 -189.30296 756.24872
4275.0000 -196.58202 -189.19414 7.38788 2.52649 -189.09221 752.08182
4280.0000 -196.86913 -189.25259 7.61654 2.52763 -189.07110 777.84064
4285.0000 -196.45013 -189.74187 6.70826 2.48408 -189.87961 754.35573
4290.0000 -195.40041 -187.43863 7.96177 2.53984 -188.84446 771.99825
4295.0000 -197.25632 -189.25879 7.99753 2.54769 -188.69875 775.18348
4300.0000 -196.46621 -187.69327 8.77294 2.53196 -188.99074 758.97820
4305.0000 -196.85964 -186.86784 9.99180 2.60866 -187.56663 804.01344
4310.0000 -195.73297 -188.00275 7.73022 2.65286 -186.74606 853.27426
4315.0000 -197.17356 -188.23243 8.94113 2.54835 -188.68651 777.54971
4320.0000 -195.86690 -189.05822 6.80869 2.58498 -188.00629 815.50098
4325.0000 -197.28708 -189.19423 8.09285 2.53010 -189.02529 744.08745
4330.0000 -197.08254 -188.77615 8.30639 2.56218 -188.42973 772.80443
4335.0000 -196.43298 -188.26221 8.17077 2.56226 -188.42820 783.31601
4340.0000 -196.64570 -189.73000 6.91569 2.54307 -188.78454 770.65859
4345.0000 -197.21577 -189.37052 7.84525 2.47862 -189.98107 732.52514
4350.0000 -196.56568 -189.14079 7.42489 2.52288 -189.15930 754.86949
4355.0000 -197.49414 -189.93802 7.55612 2.48983 -189.77291 736.71030
4360.0000 -197.87610 -189.92707 7.94903 2.45800 -190.36394 716.11432
4365.0000 -195.43914 -187.21818 8.22096 2.56290 -188.41636 782.77990
4370.0000 -197.61212 -188.76681 8.84531 2.53216 -188.98707 789.77010
4375.0000 -198.18653 -189.96286 8.22367 2.48169 -189.92406 742.34502
4380.0000 -196.79072 -189.67987 7.11085 2.51132 -189.37403 754.42736
4385.0000 -196.23440 -188.15328 8.08111 2.55064 -188.64388 791.22682
4390.0000 -198.58043 -192.21236 6.36807 2.51447 -189.31552 765.52595
4395.0000 -198.34401 -190.96610 7.37791 2.44055 -190.68785 715.12171
4400.0000 -197.98571 -189.23864 8.74706 2.50908 -189.41544 769.36269
4405.0000 -196.96435 -189.22201 7.74233 2.49915 -189.59996 742.69716
4410.0000 -197.63466 -189.42416 8.21051 2.49393 -189.69678 747.08302
4415.0000 -197.29048 -188.29226 8.99822 2.53090 -189.01033 762.05845
4420.0000 -196.75946 -189.05461 7.70485 2.53392 -188.95440 762.81801
4425.0000 -195.99405 -188.55982 7.43423 2.53553 -188.92440 760.81244
4430.0000 -195.92347 -188.23204 7.69142 2.55002 -188.65539 777.18637
4435.0000 -197.47073 -189.83458 7.63615 2.46336 -190.26436 711.71909
4440.0000 -196.68022 -187.43660 9.24363 2.56043 -188.46212 776.82072
4445.0000 -196.78099 -188.46617 8.31482 2.55113 -188.63475 776.67008
4450.0000 -196.61775 -188.05349 8.56426 2.60756 -187.58714 812.86927
4455.0000 -197.13291 -188.15719 8.97572 2.59902 -187.74571 817.38356
4460.0000 -197.25145 -189.64088 7.61057 2.55938 -188.48165 793.28390
4465.0000 -197.99194 -190.90262 7.08932 2.46752 -190.18718 744.79779
4470.0000 -198.08718 -191.51375 6.57343 2.39527 -191.52860 705.04021
4475.0000 -195.84820 -188.70921 7.13899 2.45217 -190.47220 721.93812
4480.0000 -198.76638 -191.03005 7.73634 2.46376 -190.25690 706.84700
4485.0000 -194.97835 -186.80901 8.16934 2.52414 -189.13588 759.09301
4490.0000 -195.77547 -188.26226 7.51321 2.60816 -187.57592 816.31806
4495.0000 -197.76165 -189.99619 7.76546 2.51819 -189.24636 763.09194
4500.0000 -198.45455 -190.70179 7.75276 2.45281 -190.46027 730.24390
MELTING PROCESS: loop number 19 T-loop= 779.00000000000000
main_MD> interactions number 19 at Temperature= 779.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.94196 -1.66957 2.00721
force_rgl> df(natom) -0.11695 2.19593 -0.76136
4505.0000 -197.34191 -189.71757 7.62434 2.46690 -190.19858 729.49343
4510.0000 -198.15888 -188.98509 9.17379 2.52611 -189.09940 779.04712
4515.0000 -195.34345 -186.97017 8.37328 2.58462 -188.01295 803.92768
4520.0000 -196.84452 -188.81337 8.03115 2.57276 -188.23328 806.71738
4525.0000 -197.21388 -188.50104 8.71284 2.53295 -188.97244 787.67065
4530.0000 -197.26808 -188.52903 8.73905 2.54876 -188.67886 779.80055
4535.0000 -197.86137 -189.86366 7.99771 2.51650 -189.27784 750.60569
4540.0000 -199.45996 -190.74160 8.71836 2.47392 -190.06832 734.78754
4545.0000 -196.75821 -189.19883 7.55938 2.44375 -190.62843 704.84619
4550.0000 -196.46900 -188.96257 7.50643 2.55303 -188.59958 767.39557
4555.0000 -195.34363 -187.82595 7.51767 2.55844 -188.49901 765.36048
4560.0000 -196.59950 -189.40685 7.19265 2.60660 -187.60497 806.95045
4565.0000 -196.42231 -189.53577 6.88654 2.54048 -188.83252 770.10315
4570.0000 -197.72985 -188.77224 8.95761 2.55257 -188.60801 777.83908
4575.0000 -196.46653 -186.96398 9.50254 2.58335 -188.03658 804.24523
4580.0000 -197.51578 -187.74852 9.76726 2.61646 -187.42189 826.11086
4585.0000 -196.22650 -188.85816 7.36834 2.55925 -188.48406 769.10763
4590.0000 -196.75719 -189.87901 6.87818 2.49300 -189.71414 759.90453
4595.0000 -197.77047 -189.28551 8.48496 2.50647 -189.46404 749.49210
4600.0000 -196.69433 -188.00177 8.69256 2.57320 -188.22504 778.08008
4605.0000 -196.05842 -188.35301 7.70542 2.57838 -188.12883 787.32312
4610.0000 -197.02227 -189.01841 8.00386 2.56159 -188.44052 747.39270
4615.0000 -196.50123 -187.32295 9.17828 2.58321 -188.03924 785.65138
4620.0000 -195.07284 -186.96070 8.11215 2.60078 -187.71292 819.56870
4625.0000 -194.39058 -185.58744 8.80314 2.69287 -186.00328 860.09768
4630.0000 -195.83900 -188.38355 7.45545 2.66399 -186.53936 840.93112
4635.0000 -195.36885 -188.21475 7.15409 2.59282 -187.86086 784.12313
4640.0000 -197.38311 -190.15713 7.22597 2.50134 -189.55921 728.24798
4645.0000 -196.23018 -188.61019 7.61999 2.53712 -188.89502 755.56581
4650.0000 -195.09739 -187.05812 8.03927 2.56873 -188.30808 816.79658
4655.0000 -195.37727 -186.66320 8.71408 2.65434 -186.71859 861.05087
4660.0000 -196.13553 -188.48310 7.65243 2.59464 -187.82700 804.02003
4665.0000 -194.62512 -186.80807 7.81704 2.59928 -187.74086 799.71794
4670.0000 -194.95845 -187.00740 7.95105 2.69294 -186.00201 865.77379
4675.0000 -197.27249 -189.62474 7.64775 2.58644 -187.97915 795.78313
4680.0000 -196.82714 -189.50106 7.32608 2.51309 -189.34107 754.41525
4685.0000 -196.32756 -188.93319 7.39437 2.52008 -189.21131 748.23412
4690.0000 -196.56105 -189.46946 7.09159 2.52364 -189.14514 786.75422
4695.0000 -196.71798 -188.12380 8.59418 2.54286 -188.78841 778.35141
4700.0000 -197.42557 -189.68977 7.73580 2.62461 -187.27047 856.36148
4705.0000 -197.33034 -189.84380 7.48654 2.49276 -189.71850 751.12278
4710.0000 -196.73134 -188.68460 8.04674 2.52777 -189.06860 778.68880
4715.0000 -194.88659 -186.99467 7.89192 2.56790 -188.32351 797.39826
4720.0000 -196.29264 -188.50923 7.78341 2.58739 -187.96153 794.90864
4725.0000 -193.40825 -187.04062 6.36763 2.59758 -187.77238 795.36970
4730.0000 -196.70087 -189.35481 7.34606 2.58732 -187.96281 776.59170
4735.0000 -195.70843 -187.91088 7.79755 2.51638 -189.27997 756.61262
4740.0000 -195.98938 -188.01662 7.97277 2.58684 -187.97178 780.15998
4745.0000 -195.13256 -187.27361 7.85895 2.57032 -188.27859 770.78563
4750.0000 -195.72331 -187.81050 7.91281 2.61471 -187.45443 812.02742
MELTING PROCESS: loop number 20 T-loop= 804.00000000000000
main_MD> interactions number 20 at Temperature= 804.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.71101 -1.05919 -0.32002
force_rgl> df(natom) -1.17106 -3.28579 -0.94886
4755.0000 -195.96187 -188.97965 6.98222 2.55070 -188.64276 755.22554
4760.0000 -194.90135 -187.24073 7.66062 2.58985 -187.91595 788.70443
4765.0000 -195.92332 -188.38055 7.54278 2.62943 -187.18101 829.55543
4770.0000 -196.11185 -187.93511 8.17673 2.49670 -189.64529 712.94452
4775.0000 -196.77599 -189.49123 7.28475 2.60755 -187.58724 809.06058
4780.0000 -195.56535 -186.53745 9.02790 2.58517 -188.00290 791.08574
4785.0000 -195.89117 -186.37939 9.51177 2.69602 -185.94477 874.11039
4790.0000 -194.75450 -187.17838 7.57611 2.64301 -186.92890 839.66967
4795.0000 -196.62969 -188.55907 8.07062 2.61666 -187.41819 806.19985
4800.0000 -195.49592 -188.01450 7.48143 2.57260 -188.23620 775.65843
4805.0000 -195.40843 -186.96278 8.44565 2.62483 -187.26644 825.40013
4810.0000 -195.29462 -187.56817 7.72645 2.62367 -187.28804 818.94024
4815.0000 -194.83973 -186.81228 8.02745 2.66577 -186.50629 841.71655
4820.0000 -195.14697 -186.99434 8.15264 2.66678 -186.48762 848.49700
4825.0000 -196.39372 -188.83200 7.56172 2.61408 -187.46612 824.66905
4830.0000 -197.16894 -189.22152 7.94742 2.52201 -189.17543 764.11321
4835.0000 -197.13202 -189.38362 7.74840 2.48375 -189.88576 724.96605
4840.0000 -196.33485 -189.13632 7.19853 2.50818 -189.43223 743.91703
4845.0000 -197.43867 -190.15666 7.28201 2.49193 -189.73386 739.07973
4850.0000 -197.02598 -188.62464 8.40134 2.53281 -188.97494 770.47869
4855.0000 -197.97709 -189.67005 8.30704 2.50395 -189.51078 751.93474
4860.0000 -195.67751 -187.30647 8.37104 2.57950 -188.10803 795.19158
4865.0000 -196.95596 -187.70136 9.25460 2.57997 -188.09938 803.70341
4870.0000 -195.17268 -187.83282 7.33987 2.64486 -186.89461 809.80779
4875.0000 -196.63333 -188.51361 8.11971 2.60718 -187.59416 806.08226
4880.0000 -194.92948 -185.95894 8.97054 2.63401 -187.09603 825.76345
4885.0000 -195.61605 -186.60578 9.01027 2.69511 -185.96166 842.76198
4890.0000 -194.49185 -186.11377 8.37808 2.68099 -186.22387 871.64180
4895.0000 -194.74524 -186.94290 7.80234 2.67832 -186.27329 868.00658
4900.0000 -194.59015 -186.37256 8.21759 2.68849 -186.08445 842.41378
4905.0000 -195.30480 -187.95549 7.34931 2.69300 -186.00078 860.51657
4910.0000 -195.86951 -187.15489 8.71463 2.61270 -187.49165 787.27554
4915.0000 -195.97095 -188.61365 7.35730 2.56680 -188.34395 795.55457
4920.0000 -197.98268 -190.48373 7.49895 2.50419 -189.50635 759.82733
4925.0000 -198.15032 -190.12756 8.02276 2.44996 -190.51318 730.04587
4930.0000 -198.02496 -189.04438 8.98058 2.50496 -189.49196 725.21013
4935.0000 -197.44780 -189.02026 8.42754 2.50957 -189.40647 750.69340
4940.0000 -198.24684 -189.50025 8.74659 2.55507 -188.56171 768.81231
4945.0000 -198.98981 -190.81809 8.17172 2.42913 -190.89987 697.74085
4950.0000 -197.33028 -188.71148 8.61879 2.47673 -190.01609 742.13395
4955.0000 -195.64753 -187.69919 7.94834 2.59502 -187.82000 833.65874
4960.0000 -196.66420 -188.11629 8.54791 2.57986 -188.10145 797.04243
4965.0000 -198.03118 -188.74070 9.29048 2.57318 -188.22537 806.40315
4970.0000 -195.66487 -188.00561 7.65925 2.58202 -188.06135 794.87360
4975.0000 -196.81112 -189.09685 7.71427 2.59026 -187.90828 807.21235
4980.0000 -197.33543 -190.20033 7.13510 2.53011 -189.02508 747.49248
4985.0000 -197.91233 -190.37392 7.53841 2.49449 -189.68635 736.29468
4990.0000 -196.71253 -188.24663 8.46590 2.50157 -189.55500 780.43100
4995.0000 -196.35773 -187.51778 8.83995 2.60134 -187.70253 793.07225
5000.0000 -194.38250 -185.96694 8.41556 2.68799 -186.09380 855.20696
MELTING PROCESS: loop number 21 T-loop= 829.00000000000000
main_MD> interactions number 21 at Temperature= 829.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.27433 1.26346 -3.17714
force_rgl> df(natom) -1.21959 0.91274 -1.61341
5005.0000 -195.36737 -186.33398 9.03339 2.66227 -186.57132 822.37263
5010.0000 -197.34054 -188.82288 8.51766 2.65758 -186.65846 835.71794
5015.0000 -195.28453 -186.15698 9.12756 2.60832 -187.57299 830.05468
5020.0000 -195.46383 -186.97216 8.49167 2.64087 -186.96875 838.24551
5025.0000 -197.05681 -187.76714 9.28967 2.59661 -187.79040 785.92020
5030.0000 -194.00348 -186.17216 7.83132 2.61948 -187.36586 818.91331
5035.0000 -195.97503 -186.62687 9.34816 2.69159 -186.02689 849.64351
5040.0000 -193.83068 -184.24910 9.58159 2.71744 -185.54705 882.47993
5045.0000 -194.75327 -187.35992 7.39335 2.70545 -185.76970 874.74056
5050.0000 -195.92592 -186.08826 9.83766 2.61445 -187.45913 818.90391
5055.0000 -195.52977 -188.37458 7.15519 2.61314 -187.48345 810.54092
5060.0000 -196.05511 -188.16729 7.88783 2.59688 -187.78539 774.91364
5065.0000 -196.18817 -186.19437 9.99380 2.66867 -186.45250 856.75259
5070.0000 -195.67677 -187.19514 8.48163 2.63397 -187.09684 822.62644
5075.0000 -194.71046 -186.16016 8.55030 2.71508 -185.59092 871.03662
5080.0000 -195.51667 -186.52460 8.99207 2.64700 -186.85490 850.12240
5085.0000 -194.06769 -185.01817 9.04952 2.74332 -185.06647 917.70530
5090.0000 -196.41894 -187.25800 9.16094 2.70998 -185.68554 903.70843
5095.0000 -194.70486 -185.44548 9.25938 2.68961 -186.06369 877.46440
5100.0000 -194.75478 -185.77581 8.97897 2.69190 -186.02120 878.92740
5105.0000 -195.83041 -184.77738 11.05303 2.71559 -185.58143 894.84305
5110.0000 -194.73425 -187.60525 7.12901 2.67389 -186.35561 866.00047
5115.0000 -195.10683 -187.33425 7.77258 2.57933 -188.11126 780.01212
5120.0000 -196.43164 -186.35480 10.07683 2.61555 -187.43872 830.63584
5125.0000 -196.50857 -187.45092 9.05766 2.58170 -188.06723 828.66085
5130.0000 -196.38655 -186.86683 9.51972 2.62073 -187.34255 828.00716
5135.0000 -196.32252 -187.66519 8.65733 2.62954 -187.17911 821.00610
5140.0000 -195.74411 -187.92677 7.81735 2.63486 -187.08030 842.56389
5145.0000 -197.30558 -188.65163 8.65395 2.53834 -188.87230 767.97230
5150.0000 -195.23868 -185.72524 9.51344 2.60319 -187.66825 823.34596
5155.0000 -193.54691 -184.68127 8.86564 2.73552 -185.21141 903.12260
5160.0000 -196.31519 -186.35373 9.96146 2.68824 -186.08916 894.90597
5165.0000 -196.46265 -187.70869 8.75396 2.58307 -188.04189 833.78979
5170.0000 -195.58485 -186.93357 8.65129 2.62405 -187.28101 843.00406
5175.0000 -194.10578 -185.62206 8.48373 2.69119 -186.03444 857.08968
5180.0000 -195.70210 -188.59002 7.11209 2.64367 -186.91661 837.26177
5185.0000 -197.03068 -189.65613 7.37456 2.52864 -189.05237 763.62596
5190.0000 -195.60156 -187.94273 7.65883 2.54355 -188.77557 761.55706
5195.0000 -195.30438 -187.15344 8.15094 2.64228 -186.94247 834.67001
5200.0000 -197.07716 -187.84853 9.22863 2.63199 -187.13349 833.36493
5205.0000 -193.84259 -186.06718 7.77540 2.64212 -186.94542 849.00258
5210.0000 -195.21824 -186.02831 9.18993 2.69175 -186.02402 852.97740
5215.0000 -194.04339 -184.81660 9.22679 2.73308 -185.25663 887.70618
5220.0000 -194.12078 -185.17883 8.94195 2.73332 -185.25217 877.26357
5225.0000 -194.60346 -185.23086 9.37261 2.74056 -185.11786 935.52231
5230.0000 -196.35096 -186.75623 9.59473 2.70776 -185.72679 874.97277
5235.0000 -195.33523 -187.33906 7.99617 2.63820 -187.01831 844.50034
5240.0000 -197.96371 -188.62799 9.33572 2.59475 -187.82491 773.49699
5245.0000 -197.02990 -189.32022 7.70968 2.56992 -188.28601 797.11757
5250.0000 -196.29268 -187.63686 8.65582 2.56956 -188.29265 766.51414
MELTING PROCESS: loop number 22 T-loop= 854.00000000000000
main_MD> interactions number 22 at Temperature= 854.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.73878 -1.23410 0.70145
force_rgl> df(natom) -0.92685 -1.25584 1.44699
5255.0000 -195.15914 -185.59640 9.56274 2.69642 -185.93729 865.72442
5260.0000 -196.10530 -187.84525 8.26005 2.65124 -186.77617 818.04807
5265.0000 -195.23988 -188.27268 6.96720 2.58960 -187.92054 798.10529
5270.0000 -196.44889 -187.37249 9.07641 2.59421 -187.83503 794.81948
5275.0000 -196.80340 -187.74088 9.06252 2.61082 -187.52650 825.75893
5280.0000 -196.07073 -187.15458 8.91615 2.62251 -187.30952 811.73439
5285.0000 -196.57910 -187.23659 9.34250 2.59007 -187.91182 815.41777
5290.0000 -194.59291 -186.49270 8.10022 2.66304 -186.55712 853.56283
5295.0000 -196.50992 -187.81290 8.69701 2.59895 -187.74704 794.49930
5300.0000 -194.80845 -186.67456 8.13389 2.63691 -187.04217 835.55575
5305.0000 -195.16198 -187.19693 7.96505 2.66704 -186.48271 865.21796
5310.0000 -196.38810 -188.34837 8.03973 2.63252 -187.12373 811.27564
5315.0000 -195.20993 -186.76212 8.44781 2.59017 -187.91001 795.63146
5320.0000 -194.84729 -187.00568 7.84160 2.64820 -186.83251 832.53258
5325.0000 -193.94471 -184.01256 9.93215 2.72675 -185.37414 893.63345
5330.0000 -193.60303 -183.70532 9.89771 2.80991 -183.83028 959.40505
5335.0000 -195.12444 -185.78742 9.33701 2.73282 -185.26150 900.99155
5340.0000 -193.33959 -183.94973 9.38986 2.72372 -185.43041 906.12322
5345.0000 -192.91716 -183.07211 9.84506 2.76586 -184.64801 896.52145
5350.0000 -194.89884 -185.80624 9.09260 2.73638 -185.19544 909.83573
5355.0000 -194.75667 -185.76823 8.98844 2.67715 -186.29508 866.42150
5360.0000 -193.92013 -186.23674 7.68339 2.69792 -185.90947 859.08475
5365.0000 -197.05888 -187.74333 9.31555 2.61055 -187.53166 789.84937
5370.0000 -196.48666 -188.32009 8.16657 2.57600 -188.17306 783.67919
5375.0000 -196.83778 -187.67725 9.16053 2.55084 -188.64017 777.81663
5380.0000 -195.25567 -184.85304 10.40263 2.67211 -186.38872 857.75986
5385.0000 -195.49378 -186.49241 9.00137 2.71337 -185.62259 888.37799
5390.0000 -194.94972 -185.46745 9.48227 2.66493 -186.52189 813.25777
5395.0000 -195.30980 -185.47017 9.83964 2.72492 -185.40821 889.60164
5400.0000 -194.70197 -185.92093 8.78104 2.73891 -185.14833 864.86435
5405.0000 -193.78144 -183.75797 10.02347 2.75936 -184.76883 897.80960
5410.0000 -194.71200 -184.09844 10.61356 2.83215 -183.41724 974.43881
5415.0000 -194.15825 -183.90842 10.24983 2.77353 -184.50573 942.16034
5420.0000 -195.70369 -185.87262 9.83108 2.71464 -185.59898 904.32476
5425.0000 -194.89519 -186.91036 7.98483 2.65878 -186.63616 854.94320
5430.0000 -196.14232 -187.04418 9.09814 2.62700 -187.22614 834.04140
5435.0000 -195.31936 -185.41989 9.89947 2.62856 -187.19730 831.92865
5440.0000 -195.12371 -186.21690 8.90681 2.71560 -185.58121 867.57099
5445.0000 -193.49954 -184.61115 8.88839 2.71445 -185.60248 889.23506
5450.0000 -195.85475 -187.24663 8.60812 2.75337 -184.87997 906.25152
5455.0000 -197.54558 -187.80272 9.74285 2.60996 -187.54264 825.92246
5460.0000 -196.58121 -187.63880 8.94241 2.58372 -188.02970 798.72782
5465.0000 -196.85192 -189.03816 7.81377 2.56900 -188.30312 787.27802
5470.0000 -196.53792 -188.58387 7.95405 2.58759 -187.95790 828.32668
5475.0000 -194.70444 -186.05347 8.65097 2.64349 -186.92005 827.04723
5480.0000 -195.88470 -186.38747 9.49723 2.69079 -186.04183 876.43230
5485.0000 -195.18051 -186.11791 9.06260 2.65236 -186.75541 847.41351
5490.0000 -197.50254 -189.17834 8.32420 2.62036 -187.34939 833.10339
5495.0000 -196.75873 -188.07117 8.68756 2.60693 -187.59885 809.14128
5500.0000 -192.31081 -183.34357 8.96724 2.70603 -185.75889 870.50648
MELTING PROCESS: loop number 23 T-loop= 879.00000000000000
main_MD> interactions number 23 at Temperature= 879.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.15691 2.71379 7.65192
force_rgl> df(natom) -2.12899 -0.42270 -0.85273
5505.0000 -193.94357 -184.47932 9.46426 2.82244 -183.59750 957.80405
5510.0000 -193.10915 -183.16371 9.94544 2.83025 -183.45262 960.84124
5515.0000 -193.45617 -185.01928 8.43689 2.77639 -184.45246 936.04955
5520.0000 -195.31387 -186.28874 9.02512 2.71266 -185.63582 858.61359
5525.0000 -193.51589 -185.70900 7.80689 2.70463 -185.78484 870.58156
5530.0000 -194.98134 -186.86014 8.12120 2.66468 -186.52651 843.21795
5535.0000 -195.04952 -186.81589 8.23363 2.62772 -187.21288 833.03585
5540.0000 -195.33624 -186.91029 8.42595 2.67357 -186.36150 841.66473
5545.0000 -195.26943 -186.87675 8.39268 2.65750 -186.65992 851.75118
5550.0000 -194.58175 -185.44847 9.13328 2.70400 -185.79659 876.80049
5555.0000 -191.76904 -183.07939 8.68965 2.81338 -183.76581 961.55942
5560.0000 -192.68546 -182.60847 10.07699 2.87835 -182.55949 940.59966
5565.0000 -192.91911 -182.69274 10.22637 2.90154 -182.12896 1012.56834
5570.0000 -195.05856 -185.07368 9.98489 2.78343 -184.32176 902.89205
5575.0000 -193.59267 -186.14372 7.44896 2.73484 -185.22399 898.41225
5580.0000 -194.76666 -185.56765 9.19901 2.64167 -186.95373 812.78302
5585.0000 -194.62596 -186.97094 7.65503 2.70562 -185.76654 844.28822
5590.0000 -196.93410 -186.70593 10.22817 2.73034 -185.30753 892.95556
5595.0000 -195.96220 -186.22829 9.73391 2.70904 -185.70293 885.58889
5600.0000 -193.44496 -183.69454 9.75042 2.74261 -185.07971 912.07375
5605.0000 -195.31044 -186.34495 8.96549 2.74349 -185.06337 915.96412
5610.0000 -196.04267 -186.90807 9.13460 2.63208 -187.13188 832.13302
5615.0000 -195.47818 -186.28153 9.19665 2.72493 -185.40790 894.71745
5620.0000 -195.34168 -185.89907 9.44260 2.69867 -185.89555 892.17615
5625.0000 -195.21628 -184.86761 10.34867 2.68486 -186.15197 877.16587
5630.0000 -194.65300 -183.82860 10.82440 2.76384 -184.68562 916.48993
5635.0000 -193.40656 -183.85404 9.55252 2.78594 -184.27518 899.21164
5640.0000 -193.41001 -184.25086 9.15915 2.81447 -183.74551 960.03484
5645.0000 -195.18387 -186.49043 8.69343 2.74291 -185.07422 907.83660
5650.0000 -196.48191 -187.73285 8.74905 2.60553 -187.62472 803.18340
5655.0000 -195.31289 -186.25485 9.05803 2.66145 -186.58659 836.26514
5660.0000 -195.95484 -186.71642 9.23842 2.64991 -186.80076 829.32404
5665.0000 -196.65080 -187.03449 9.61630 2.59517 -187.81713 831.48741
5670.0000 -195.61347 -186.56381 9.04966 2.63345 -187.10649 821.24150
5675.0000 -192.93641 -184.07986 8.85655 2.68998 -186.05696 856.67462
5680.0000 -195.78075 -185.34174 10.43901 2.74197 -185.09167 922.94045
5685.0000 -195.88648 -186.99117 8.89531 2.70543 -185.77009 892.66798
5690.0000 -195.86801 -185.57402 10.29399 2.68908 -186.07356 883.02874
5695.0000 -195.62565 -187.62438 8.00126 2.64084 -186.96924 821.40940
5700.0000 -194.27531 -186.17844 8.09688 2.65492 -186.70775 824.97457
5705.0000 -194.39277 -184.29550 10.09727 2.70490 -185.77992 869.50476
5710.0000 -193.64010 -184.52265 9.11744 2.82788 -183.49663 963.49327
5715.0000 -193.40042 -184.52991 8.87051 2.72925 -185.32771 900.32275
5720.0000 -194.88338 -186.01891 8.86446 2.69450 -185.97299 874.62715
5725.0000 -194.52640 -185.73339 8.79301 2.70951 -185.69426 882.32285
5730.0000 -194.01146 -183.97092 10.04055 2.76068 -184.74417 899.95414
5735.0000 -193.10712 -182.44576 10.66135 2.80640 -183.89532 938.99104
5740.0000 -192.79975 -183.37620 9.42355 2.85902 -182.91835 978.61450
5745.0000 -194.25444 -185.20650 9.04794 2.78713 -184.25321 939.17519
5750.0000 -192.44585 -182.60347 9.84239 2.80257 -183.96646 923.04259
MELTING PROCESS: loop number 24 T-loop= 904.00000000000000
main_MD> interactions number 24 at Temperature= 904.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.54228 -1.86423 -0.67527
force_rgl> df(natom) 0.92967 8.32249 -1.58698
5755.0000 -192.06421 -182.95248 9.11174 2.84217 -183.23117 960.12996
5760.0000 -194.60379 -186.68579 7.91800 2.79852 -184.04174 949.89450
5765.0000 -195.60238 -185.85279 9.74959 2.66652 -186.49237 819.32480
5770.0000 -195.88645 -187.22525 8.66120 2.64400 -186.91049 829.04936
5775.0000 -193.77973 -185.10119 8.67854 2.70675 -185.74546 887.18299
5780.0000 -196.30055 -186.22645 10.07409 2.66279 -186.56177 869.64469
5785.0000 -196.82299 -188.69791 8.12508 2.61854 -187.38329 836.28566
5790.0000 -193.79187 -186.13103 7.66084 2.65611 -186.68574 823.30419
5795.0000 -195.12468 -185.80503 9.31965 2.71575 -185.57845 891.81716
5800.0000 -194.32543 -186.05040 8.27503 2.63883 -187.00652 827.98065
5805.0000 -195.97342 -185.76820 10.20522 2.70783 -185.72542 860.79041
5810.0000 -194.00823 -184.34914 9.65909 2.70775 -185.72690 883.02676
5815.0000 -194.45797 -186.08207 8.37590 2.76601 -184.64526 928.18777
5820.0000 -193.85409 -185.55690 8.29719 2.75246 -184.89680 913.59017
5825.0000 -192.45490 -182.48021 9.97469 2.77230 -184.52849 932.07267
5830.0000 -192.90862 -183.46284 9.44578 2.84030 -183.26593 959.73592
5835.0000 -194.13014 -183.24656 10.88358 2.89807 -182.19336 1005.95717
5840.0000 -193.76270 -184.69570 9.06700 2.78821 -184.23308 916.80336
5845.0000 -195.59499 -186.53940 9.05559 2.73242 -185.26899 893.63100
5850.0000 -195.44025 -186.05262 9.38762 2.69162 -186.02649 852.52234
5855.0000 -195.36311 -186.24503 9.11807 2.67673 -186.30296 849.13064
5860.0000 -195.08529 -185.47371 9.61158 2.78115 -184.36416 942.67172
5865.0000 -194.09561 -184.94323 9.15238 2.73802 -185.16490 914.98885
5870.0000 -193.99310 -186.11310 7.88000 2.69113 -186.03551 845.71424
5875.0000 -194.46561 -184.59815 9.86746 2.70953 -185.69391 889.59232
5880.0000 -194.73334 -183.86201 10.87132 2.78823 -184.23276 938.42234
5885.0000 -195.79566 -185.82347 9.97218 2.70998 -185.68550 891.77486
5890.0000 -194.38267 -186.69486 7.68781 2.75058 -184.93180 896.61676
5895.0000 -191.75666 -183.16628 8.59038 2.75105 -184.92295 852.60850
5900.0000 -194.08240 -183.41865 10.66375 2.83866 -183.29637 957.72682
5905.0000 -194.18776 -185.98794 8.19981 2.75379 -184.87221 899.63783
5910.0000 -194.98063 -186.13235 8.84828 2.67356 -186.36170 834.44438
5915.0000 -197.42956 -188.14801 9.28155 2.61745 -187.40356 833.01996
5920.0000 -195.42523 -187.34734 8.07789 2.64333 -186.92307 827.44188
5925.0000 -194.34292 -185.11623 9.22669 2.70304 -185.81435 849.55087
5930.0000 -196.03957 -186.82206 9.21751 2.69883 -185.89263 880.10777
5935.0000 -195.53663 -186.09845 9.43818 2.67058 -186.41699 884.95914
5940.0000 -194.35321 -186.29943 8.05378 2.67221 -186.38679 823.31379
5945.0000 -192.13146 -181.89819 10.23328 2.74478 -185.03936 900.26393
5950.0000 -194.44944 -184.72393 9.72551 2.83290 -183.40340 972.43693
5955.0000 -195.88884 -186.44731 9.44154 2.72466 -185.41296 884.42993
5960.0000 -193.42451 -185.08102 8.34349 2.68605 -186.12980 848.84718
5965.0000 -194.21374 -184.69169 9.52205 2.76583 -184.64856 904.67801
5970.0000 -195.64939 -185.57731 10.07207 2.76285 -184.70393 913.06499
5975.0000 -194.73322 -185.30923 9.42399 2.76105 -184.73744 905.90038
5980.0000 -192.87076 -181.30842 11.56234 2.82150 -183.61505 937.72803
5985.0000 -193.96723 -184.36366 9.60357 2.87486 -182.62428 996.51890
5990.0000 -194.00073 -185.68237 8.31836 2.72553 -185.39678 868.32712
5995.0000 -194.41126 -184.99705 9.41421 2.73997 -185.12875 885.22386
6000.0000 -193.88328 -183.60375 10.27953 2.82484 -183.55297 954.73076
MELTING PROCESS: loop number 25 T-loop= 929.00000000000000
main_MD> interactions number 25 at Temperature= 929.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.24650 2.31201 -2.98172
force_rgl> df(natom) 1.47108 -1.39189 1.23160
6005.0000 -192.93216 -183.90175 9.03041 2.79962 -184.02126 944.66710
6010.0000 -193.04538 -183.42896 9.61642 2.84489 -183.18072 966.94651
6015.0000 -193.43048 -184.16178 9.26869 2.78206 -184.34720 924.39034
6020.0000 -192.86328 -183.21482 9.64845 2.84940 -183.09704 988.16915
6025.0000 -192.26357 -180.57847 11.68510 2.89762 -182.20174 996.50819
6030.0000 -189.48480 -178.95490 10.52990 2.99601 -180.37495 1074.30141
6035.0000 -192.61620 -182.97078 9.64542 2.93531 -181.50197 1036.02631
6040.0000 -194.67372 -183.92856 10.74515 2.80285 -183.96123 942.89853
6045.0000 -193.20935 -183.97624 9.23310 2.77810 -184.42078 927.77562
6050.0000 -192.43290 -182.26497 10.16793 2.86595 -182.78966 983.05388
6055.0000 -194.15880 -184.99546 9.16334 2.80128 -183.99046 948.95711
6060.0000 -196.13227 -186.86190 9.27037 2.67903 -186.26018 865.24049
6065.0000 -193.79633 -186.24696 7.54937 2.69088 -186.04025 856.53842
6070.0000 -195.27421 -185.76222 9.51199 2.68570 -186.13630 864.97335
6075.0000 -193.58043 -183.12431 10.45612 2.76108 -184.73683 910.12572
6080.0000 -194.03600 -182.63313 11.40287 2.86345 -182.83621 998.07859
6085.0000 -194.68664 -184.98674 9.69991 2.78149 -184.35782 915.24318
6090.0000 -194.19420 -185.48675 8.70745 2.78011 -184.38347 924.81185
6095.0000 -193.25543 -182.55420 10.70123 2.77560 -184.46713 897.71356
6100.0000 -192.46769 -184.09385 8.37384 2.82610 -183.52970 943.57650
6105.0000 -192.45238 -183.53308 8.91930 2.84096 -183.25381 975.82020
6110.0000 -193.44011 -183.69053 9.74958 2.84971 -183.09124 951.84116
6115.0000 -195.81288 -186.47308 9.33980 2.72777 -185.35518 906.85309
6120.0000 -194.09372 -185.35314 8.74058 2.67167 -186.39682 864.98890
6125.0000 -193.16131 -184.30359 8.85772 2.77862 -184.41116 931.46592
6130.0000 -193.68719 -184.45380 9.23339 2.74460 -185.04270 885.45677
6135.0000 -194.89419 -186.88822 8.00598 2.73392 -185.24115 873.76678
6140.0000 -192.74074 -184.53150 8.20923 2.68313 -186.18408 873.89744
6145.0000 -192.65388 -183.26198 9.39190 2.78522 -184.28863 902.72226
6150.0000 -193.83750 -185.80319 8.03431 2.75876 -184.77995 904.99542
6155.0000 -192.91827 -182.28071 10.63756 2.82445 -183.56026 953.68619
6160.0000 -194.91295 -184.51603 10.39693 2.81850 -183.67065 987.46093
6165.0000 -192.73071 -183.03956 9.69115 2.83449 -183.37394 929.02725
6170.0000 -194.73177 -184.92632 9.80545 2.80643 -183.89474 940.08677
6175.0000 -194.62143 -186.27631 8.34512 2.73936 -185.14000 917.29911
6180.0000 -194.53360 -184.91082 9.62278 2.73609 -185.20083 885.76290
6185.0000 -193.66749 -185.42402 8.24347 2.72765 -185.35757 873.50057
6190.0000 -194.49344 -184.81195 9.68149 2.71563 -185.58062 897.65547
6195.0000 -194.75440 -185.86870 8.88570 2.75164 -184.91214 908.90203
6200.0000 -193.83001 -184.69984 9.13017 2.72088 -185.48317 885.81349
6205.0000 -194.52234 -184.50316 10.01918 2.80193 -183.97835 947.23449
6210.0000 -194.01279 -184.59675 9.41604 2.76363 -184.68945 906.05083
6215.0000 -193.16036 -184.05001 9.11034 2.75506 -184.84859 912.58223
6220.0000 -194.19570 -185.23940 8.95630 2.72464 -185.41344 888.98600
6225.0000 -192.74693 -183.34064 9.40628 2.78525 -184.28809 917.06736
6230.0000 -193.71582 -184.62839 9.08743 2.79230 -184.15718 947.39546
6235.0000 -192.96650 -183.40680 9.55971 2.79155 -184.17118 939.50853
6240.0000 -195.14772 -183.67390 11.47382 2.81189 -183.79348 928.03533
6245.0000 -194.24333 -186.88531 7.35802 2.74449 -185.04473 902.31147
6250.0000 -194.72334 -185.20107 9.52227 2.67854 -186.26928 858.84970
MELTING PROCESS: loop number 26 T-loop= 954.00000000000000
main_MD> interactions number 26 at Temperature= 954.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35090 -2.68791 0.54626
force_rgl> df(natom) 0.52271 -1.55231 -0.30239
6255.0000 -195.58765 -186.19095 9.39670 2.69333 -185.99460 885.22735
6260.0000 -192.69045 -181.43029 11.26016 2.81391 -183.75589 953.42998
6265.0000 -193.20553 -183.92739 9.27814 2.90908 -181.98896 986.08173
6270.0000 -195.35520 -185.61950 9.73570 2.73357 -185.24748 898.84849
6275.0000 -195.30814 -185.11448 10.19367 2.70257 -185.82321 873.52802
6280.0000 -194.02979 -184.94548 9.08431 2.71651 -185.56434 893.13496
6285.0000 -191.73775 -182.54672 9.19104 2.85105 -183.06634 951.28861
6290.0000 -189.12368 -179.21557 9.90810 2.98939 -180.49789 1071.23621
6295.0000 -190.89055 -179.87961 11.01094 3.03643 -179.62451 1065.01807
6300.0000 -192.04572 -181.41526 10.63046 2.99633 -180.36909 1051.23195
6305.0000 -191.11976 -181.42817 9.69159 2.96821 -180.89113 1029.06063
6310.0000 -192.42854 -183.21007 9.21847 2.91873 -181.80983 1009.15756
6315.0000 -193.69463 -183.47791 10.21672 2.89274 -182.29232 1008.13838
6320.0000 -195.61071 -185.79786 9.81285 2.74539 -185.02812 897.86969
6325.0000 -194.22621 -183.25780 10.96841 2.74414 -185.05141 907.13448
6330.0000 -192.67165 -183.17387 9.49778 2.86240 -182.85559 977.58726
6335.0000 -194.27986 -184.55001 9.72985 2.83932 -183.28410 967.60816
6340.0000 -193.54697 -184.88213 8.66484 2.77355 -184.50529 921.66184
6345.0000 -192.77562 -184.05861 8.71701 2.79000 -184.19995 917.67492
6350.0000 -192.62418 -182.99746 9.62672 2.79441 -184.11806 920.76538
6355.0000 -190.92388 -182.23315 8.69073 2.87847 -182.55738 977.63531
6360.0000 -191.80073 -181.00057 10.80016 2.95083 -181.21390 1015.89892
6365.0000 -190.67021 -180.74957 9.92064 2.97579 -180.75038 1053.52216
6370.0000 -193.27531 -182.78160 10.49371 2.88240 -182.48427 980.61652
6375.0000 -193.67340 -184.35343 9.31997 2.80083 -183.99880 950.89277
6380.0000 -193.63322 -184.04303 9.59019 2.83794 -183.30979 967.67909
6385.0000 -194.03555 -184.22730 9.80825 2.79685 -184.07271 927.92895
6390.0000 -193.06878 -181.06377 12.00501 2.90046 -182.14901 1003.00668
6395.0000 -192.83943 -182.36803 10.47140 2.97245 -180.81245 1062.50785
6400.0000 -193.93674 -184.24857 9.68817 2.81619 -183.71369 945.95211
6405.0000 -193.52274 -184.86546 8.65728 2.71738 -185.54825 894.54145
6410.0000 -194.18274 -185.12229 9.06046 2.74399 -185.05411 925.20664
6415.0000 -191.64409 -181.84470 9.79939 2.85447 -183.00290 976.32508
6420.0000 -192.81205 -183.20844 9.60361 2.88840 -182.37301 993.54361
6425.0000 -193.82580 -184.02780 9.79799 2.80821 -183.86182 939.60367
6430.0000 -193.76233 -183.17331 10.58902 2.87730 -182.57906 976.57614
6435.0000 -191.24589 -181.73177 9.51411 2.84766 -183.12933 969.23586
6440.0000 -194.47250 -183.20332 11.26919 2.90869 -181.99625 1035.13631
6445.0000 -191.58229 -180.96965 10.61264 2.92913 -181.61668 1002.99127
6450.0000 -194.05235 -184.00819 10.04416 2.85610 -182.97255 968.67371
6455.0000 -195.00425 -184.89857 10.10568 2.76359 -184.69029 901.93103
6460.0000 -192.75433 -183.14144 9.61289 2.75043 -184.93448 882.14220
6465.0000 -192.82377 -184.09161 8.73216 2.81482 -183.73899 926.32706
6470.0000 -194.27329 -185.05243 9.22087 2.74291 -185.07416 896.68772
6475.0000 -193.12479 -181.77930 11.34549 2.82996 -183.45798 967.40721
6480.0000 -194.57347 -184.63457 9.93891 2.85744 -182.94775 1004.49062
6485.0000 -193.57670 -183.40713 10.16957 2.81141 -183.80240 926.35693
6490.0000 -193.00631 -181.92963 11.07669 2.94532 -181.31608 1013.73288
6495.0000 -195.12321 -183.44979 11.67342 2.78568 -184.28015 888.20185
6500.0000 -192.24965 -182.60917 9.64049 2.85159 -183.05637 990.71441
MELTING PROCESS: loop number 27 T-loop= 979.00000000000000
main_MD> interactions number 27 at Temperature= 979.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.50800 2.07904 0.24072
force_rgl> df(natom) -0.64997 -0.79687 -1.77277
6505.0000 -193.67641 -183.30306 10.37335 2.85428 -183.00642 1003.37947
6510.0000 -191.16746 -181.37087 9.79659 2.85422 -183.00747 977.05582
6515.0000 -191.84936 -183.33258 8.51677 2.90782 -182.01230 1014.71991
6520.0000 -194.18098 -183.56399 10.61699 2.83154 -183.42863 977.35748
6525.0000 -193.00518 -183.28290 9.72228 2.81949 -183.65228 965.19638
6530.0000 -193.82904 -183.19127 10.63776 2.82898 -183.47608 965.41571
6535.0000 -194.19269 -181.99650 12.19620 2.82666 -183.51920 935.18133
6540.0000 -193.19319 -183.44190 9.75130 2.86030 -182.89463 951.68848
6545.0000 -193.14237 -183.78318 9.35918 2.76497 -184.66465 892.69402
6550.0000 -191.52122 -181.22628 10.29494 2.87276 -182.66331 964.82396
6555.0000 -191.57441 -180.11407 11.46033 2.90758 -182.01685 986.55547
6560.0000 -192.22557 -182.47437 9.75120 2.88053 -182.51907 1003.70026
6565.0000 -193.68463 -183.23292 10.45171 2.85749 -182.94680 954.28707
6570.0000 -193.21042 -184.52501 8.68541 2.79770 -184.05694 933.76699
6575.0000 -193.32022 -183.23149 10.08873 2.83763 -183.31553 955.25617
6580.0000 -192.11800 -181.66644 10.45156 2.91147 -181.94465 995.49606
6585.0000 -192.54612 -181.56537 10.98074 2.91985 -181.78902 1016.77992
6590.0000 -193.56965 -182.69319 10.87646 2.93101 -181.58187 1035.08499
6595.0000 -192.58209 -182.58736 9.99474 2.80790 -183.86748 952.99534
6600.0000 -191.80176 -181.51398 10.28777 2.90688 -182.02983 991.04528
6605.0000 -194.50966 -183.85057 10.65909 2.87217 -182.67425 980.95234
6610.0000 -193.16729 -183.91507 9.25223 2.81864 -183.66816 942.38977
6615.0000 -194.08134 -183.55241 10.52893 2.79077 -184.18550 926.35020
6620.0000 -195.59821 -186.49442 9.10379 2.69738 -185.91950 894.69521
6625.0000 -192.25290 -183.09558 9.15732 2.73121 -185.29131 863.02887
6630.0000 -192.55887 -183.98863 8.57024 2.85881 -182.92225 965.23659
6635.0000 -192.12594 -183.03120 9.09475 2.87579 -182.60700 995.94898
6640.0000 -194.47853 -183.95705 10.52148 2.79147 -184.17260 922.40070
6645.0000 -192.24100 -181.14486 11.09614 2.89822 -182.19066 969.52854
6650.0000 -192.39888 -183.06861 9.33027 2.89883 -182.17937 990.64904
6655.0000 -192.71084 -183.26398 9.44686 2.91199 -181.93499 997.59268
6660.0000 -193.32835 -183.61171 9.71664 2.79723 -184.06570 920.82210
6665.0000 -192.60367 -181.08015 11.52351 2.90917 -181.98726 998.15454
6670.0000 -192.94509 -183.75973 9.18537 2.86895 -182.73413 980.61956
6675.0000 -193.75752 -183.73361 10.02392 2.75986 -184.75945 897.07364
6680.0000 -194.02484 -184.46925 9.55559 2.82582 -183.53478 949.75090
6685.0000 -193.71136 -182.89766 10.81370 2.88768 -182.38629 998.03831
6690.0000 -193.94633 -182.59959 11.34674 2.92546 -181.68478 1034.45497
6695.0000 -194.62643 -184.39356 10.23287 2.81942 -183.65369 957.27304
6700.0000 -192.99597 -182.16346 10.83251 2.82633 -183.52526 936.65790
6705.0000 -189.82346 -178.82152 11.00195 3.00838 -180.14526 1088.32976
6710.0000 -191.96291 -180.65407 11.30883 3.04499 -179.46560 1081.75108
6715.0000 -192.50084 -182.42667 10.07417 2.92595 -181.67578 1033.19208
6720.0000 -195.61519 -185.69173 9.92347 2.71092 -185.66810 839.68956
6725.0000 -194.77584 -184.57294 10.20290 2.75161 -184.91257 893.65271
6730.0000 -192.40443 -183.43795 8.96647 2.78417 -184.30811 938.40749
6735.0000 -191.42194 -181.26771 10.15423 2.88794 -182.38149 971.02929
6740.0000 -191.80070 -182.23204 9.56866 2.87349 -182.64970 995.18009
6745.0000 -192.95439 -182.77803 10.17636 2.85300 -183.03025 966.33009
6750.0000 -192.69804 -183.65785 9.04018 2.81196 -183.79212 954.36304
MELTING PROCESS: loop number 28 T-loop= 1004.0000000000000
main_MD> interactions number 28 at Temperature= 1004.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.41376 -3.79624 -0.69875
force_rgl> df(natom) -0.15041 2.19386 0.91486
6755.0000 -192.03192 -182.28078 9.75114 2.88722 -182.39477 997.19164
6760.0000 -195.00179 -184.43657 10.56522 2.84387 -183.19962 962.20766
6765.0000 -193.23478 -182.74223 10.49255 2.80867 -183.85329 952.76059
6770.0000 -190.66344 -180.50544 10.15799 2.92850 -181.62847 1036.12401
6775.0000 -194.55089 -183.26191 11.28898 2.90409 -182.08157 1016.29260
6780.0000 -193.67613 -181.36716 12.30897 2.87556 -182.61138 1008.78037
6785.0000 -190.22539 -179.94117 10.28422 2.91923 -181.80063 1023.41386
6790.0000 -190.83548 -179.86061 10.97486 3.03399 -179.66988 1102.14459
6795.0000 -190.29092 -180.41055 9.88037 2.94316 -181.35616 1010.21015
6800.0000 -194.39616 -182.66077 11.73540 2.88401 -182.45440 991.18061
6805.0000 -193.14746 -182.34538 10.80208 2.89652 -182.22211 997.95783
6810.0000 -194.27642 -184.09570 10.18072 2.82425 -183.56401 957.99763
6815.0000 -192.06087 -182.72606 9.33481 2.83861 -183.29736 978.68308
6820.0000 -193.33963 -183.59192 9.74770 2.85531 -182.98736 973.67372
6825.0000 -193.36966 -183.47591 9.89375 2.79809 -184.04965 946.61559
6830.0000 -193.31438 -183.94527 9.36911 2.83662 -183.33423 957.09639
6835.0000 -192.83436 -182.54225 10.29210 2.85668 -182.96194 952.84707
6840.0000 -192.76224 -183.40762 9.35462 2.87559 -182.61074 1024.79139
6845.0000 -190.14008 -181.74772 8.39237 2.89593 -182.23308 999.17130
6850.0000 -191.14673 -179.69011 11.45662 2.94731 -181.27926 1035.28229
6855.0000 -194.39114 -181.66572 12.72543 2.97788 -180.71167 1064.08173
6860.0000 -193.05851 -183.20882 9.84969 2.87427 -182.63532 992.68927
6865.0000 -192.36064 -182.13782 10.22282 2.82842 -183.48651 956.87346
6870.0000 -192.06442 -180.67905 11.38537 2.99711 -180.35461 1072.40951
6875.0000 -190.12408 -179.81957 10.30451 2.98704 -180.54157 1065.86267
6880.0000 -190.76307 -179.41201 11.35106 3.03976 -179.56265 1061.50497
6885.0000 -191.07721 -180.38115 10.69606 3.03263 -179.69510 1071.83183
6890.0000 -192.24281 -180.62171 11.62110 3.06130 -179.16276 1079.63490
6895.0000 -191.83110 -181.75815 10.07295 2.94434 -181.33435 1022.97187
6900.0000 -194.26354 -183.98473 10.27881 2.84768 -183.12898 952.99839
6905.0000 -194.76052 -183.87526 10.88526 2.74194 -185.09220 923.55799
6910.0000 -194.68319 -183.64096 11.04223 2.82401 -183.56849 951.49874
6915.0000 -193.55710 -182.51416 11.04294 2.84174 -183.23921 959.04180
6920.0000 -193.20745 -182.30197 10.90549 2.87325 -182.65417 995.90987
6925.0000 -191.77909 -182.44956 9.32954 2.90674 -182.03252 1007.08968
6930.0000 -195.31988 -184.63932 10.68056 2.83795 -183.30963 978.85913
6935.0000 -194.56909 -183.49549 11.07360 2.78397 -184.31180 953.62275
6940.0000 -192.83995 -182.58366 10.25630 2.86311 -182.84248 981.08768
6945.0000 -191.85523 -182.06621 9.78902 2.90576 -182.05066 1014.00446
6950.0000 -193.94342 -182.27796 11.66546 2.89934 -182.16978 1005.16092
6955.0000 -191.60809 -181.47046 10.13763 2.86167 -182.86922 989.54487
6960.0000 -190.51224 -177.36557 13.14668 3.08322 -178.75592 1117.63536
6965.0000 -190.74643 -179.35464 11.39180 3.09010 -178.62808 1133.42642
6970.0000 -190.05172 -180.02756 10.02416 2.98348 -180.60761 1041.54182
6975.0000 -191.45643 -181.18597 10.27046 2.92546 -181.68491 1026.95969
6980.0000 -192.27990 -180.40858 11.87132 2.98539 -180.57223 1044.36555
6985.0000 -192.46820 -182.39616 10.07204 2.99112 -180.46572 1053.29645
6990.0000 -193.42517 -182.94471 10.48046 2.83085 -183.44151 975.07529
6995.0000 -191.30075 -182.02862 9.27213 2.87188 -182.67966 978.01165
7000.0000 -192.12320 -180.90338 11.21981 2.96427 -180.96437 1021.99968
MELTING PROCESS: loop number 29 T-loop= 1029.0000000000000
main_MD> interactions number 29 at Temperature= 1029.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.57630 -2.50359 0.74949
force_rgl> df(natom) 2.23648 -1.72230 -0.33460
7005.0000 -191.62040 -180.98973 10.63067 2.96812 -180.89288 1040.70725
7010.0000 -194.05202 -184.57867 9.47335 2.86182 -182.86639 981.54170
7015.0000 -191.84137 -180.28305 11.55832 2.87748 -182.57572 962.34896
7020.0000 -192.70414 -183.20317 9.50098 2.85756 -182.94549 961.02518
7025.0000 -189.34276 -180.37845 8.96431 2.86211 -182.86106 985.33858
7030.0000 -190.79257 -179.82086 10.97172 3.09330 -178.56872 1131.43670
7035.0000 -193.22096 -182.57305 10.64791 2.93688 -181.47283 999.69710
7040.0000 -190.53530 -180.21980 10.31551 2.98866 -180.51151 1066.56733
7045.0000 -191.94923 -180.12796 11.82127 2.97730 -180.72243 1064.93202
7050.0000 -191.01655 -180.53382 10.48273 2.99691 -180.35834 1064.47699
7055.0000 -193.57794 -182.41678 11.16116 2.91656 -181.85008 1010.53242
7060.0000 -192.23959 -183.78618 8.45342 2.83534 -183.35805 958.30604
7065.0000 -194.14010 -182.98559 11.15451 2.88198 -182.49208 1000.26762
7070.0000 -193.11184 -183.58504 9.52680 2.83259 -183.40910 979.48095
7075.0000 -192.18755 -181.63761 10.54994 2.88859 -182.36942 1009.32882
7080.0000 -191.55875 -181.34624 10.21251 2.93882 -181.43681 1018.58872
7085.0000 -193.87580 -183.22856 10.64723 2.92427 -181.70697 1011.15770
7090.0000 -192.94439 -182.89489 10.04950 2.83590 -183.34761 953.83037
7095.0000 -192.45488 -182.22531 10.22957 2.90596 -182.04696 971.81555
7100.0000 -191.26265 -181.57371 9.68894 2.92001 -181.78607 995.28453
7105.0000 -190.49827 -178.11390 12.38437 3.02209 -179.89082 1082.63145
7110.0000 -190.43991 -179.67445 10.76546 3.02981 -179.74747 1106.77402
7115.0000 -192.14383 -181.88583 10.25800 2.93710 -181.46884 1049.76839
7120.0000 -191.29795 -180.08002 11.21793 2.97932 -180.68487 1061.57785
7125.0000 -192.86290 -181.40190 11.46100 2.95835 -181.07415 1040.17333
7130.0000 -194.13844 -182.43241 11.70603 2.93351 -181.53536 1026.03439
7135.0000 -194.92206 -185.21896 9.70310 2.83043 -183.44921 963.44265
7140.0000 -192.72216 -183.41199 9.31017 2.78540 -184.28524 907.61706
7145.0000 -191.34386 -181.73926 9.60460 2.82972 -183.46236 933.00262
7150.0000 -192.71372 -184.11636 8.59737 2.88229 -182.48630 1014.16690
7155.0000 -192.61835 -182.32854 10.28981 2.86913 -182.73063 985.19931
7160.0000 -192.21603 -183.68636 8.52968 2.91042 -181.96411 988.53647
7165.0000 -189.08660 -180.17040 8.91619 2.90754 -182.01761 1029.75945
7170.0000 -192.84596 -182.16133 10.68463 2.96629 -180.92689 1023.35827
7175.0000 -194.05229 -181.85530 12.19699 2.87448 -182.63144 998.74768
7180.0000 -193.23447 -180.93095 12.30352 2.90435 -182.07689 1018.89192
7185.0000 -192.19687 -180.95135 11.24552 2.95205 -181.19126 1056.46654
7190.0000 -191.48978 -181.55172 9.93806 2.99526 -180.38900 1089.66434
7195.0000 -193.31719 -182.89614 10.42105 2.93629 -181.48376 1031.59611
7200.0000 -192.30050 -182.07347 10.22703 2.83086 -183.44121 960.15319
7205.0000 -192.08948 -180.40962 11.67986 2.96563 -180.93898 1041.93146
7210.0000 -191.39505 -182.51681 8.87823 2.93473 -181.51276 1024.31094
7215.0000 -193.18389 -184.69174 8.49215 2.80991 -183.83015 947.00365
7220.0000 -193.81460 -182.49995 11.31464 2.86535 -182.80087 979.28060
7225.0000 -193.22313 -183.11891 10.10422 2.87980 -182.53266 987.99861
7230.0000 -193.22500 -181.83950 11.38551 2.88183 -182.49493 974.57016
7235.0000 -191.53038 -179.65855 11.87184 2.97986 -180.67484 1070.56271
7240.0000 -191.64451 -181.37298 10.27153 2.98774 -180.52864 1060.36698
7245.0000 -192.59539 -181.68553 10.90986 2.91420 -181.89393 1012.23658
7250.0000 -191.92294 -182.16577 9.75716 2.91506 -181.87787 995.28291
MELTING PROCESS: loop number 30 T-loop= 1054.0000000000000
main_MD> interactions number 30 at Temperature= 1054.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.14563 6.62847 2.13369
force_rgl> df(natom) 2.70875 2.39465 2.58393
7255.0000 -193.82960 -183.31502 10.51458 2.90643 -182.03814 987.96904
7260.0000 -192.11950 -182.81001 9.30949 2.85930 -182.91329 983.60225
7265.0000 -191.27118 -180.10229 11.16888 2.99036 -180.47984 1063.21759
7270.0000 -190.11776 -179.29233 10.82543 3.02767 -179.78726 1100.21067
7275.0000 -190.53375 -179.86606 10.66769 3.00478 -180.21214 1077.00422
7280.0000 -191.45562 -181.10469 10.35093 2.94512 -181.31983 1051.72124
7285.0000 -188.91659 -178.29449 10.62210 3.03029 -179.73852 1075.70785
7290.0000 -190.48910 -180.34942 10.13969 3.02572 -179.82346 1070.45717
7295.0000 -190.59534 -178.41310 12.18224 3.09067 -178.61761 1122.33579
7300.0000 -191.46513 -178.41328 13.05185 3.15068 -177.50328 1164.81327
7305.0000 -191.73174 -181.64177 10.08997 3.01451 -180.03161 1095.46623
7310.0000 -191.77679 -182.23767 9.53912 2.95901 -181.06196 1046.51267
7315.0000 -191.78542 -182.35378 9.43164 2.90677 -182.03185 1025.78293
7320.0000 -193.33114 -183.21527 10.11587 2.82339 -183.57988 973.06718
7325.0000 -192.09440 -180.97219 11.12221 2.85668 -182.96190 947.75953
7330.0000 -191.42412 -180.93839 10.48573 2.93707 -181.46932 1026.15055
7335.0000 -192.49025 -182.18282 10.30742 2.87652 -182.59350 987.62199
7340.0000 -193.88219 -182.46348 11.41872 2.88768 -182.38627 1020.80659
7345.0000 -194.29086 -183.58005 10.71081 2.81130 -183.80439 929.64313
7350.0000 -195.58074 -184.49439 11.08635 2.85055 -183.07566 983.63563
7355.0000 -192.86643 -183.31486 9.55157 2.82374 -183.57347 962.77717
7360.0000 -191.29670 -180.80453 10.49216 2.87848 -182.55714 1009.46550
7365.0000 -189.20000 -179.04396 10.15604 3.04991 -179.37434 1112.22134
7370.0000 -189.61864 -178.26101 11.35763 3.10143 -178.41783 1136.04140
7375.0000 -192.97883 -181.10139 11.87744 3.05117 -179.35086 1100.73040
7380.0000 -191.77501 -180.75244 11.02257 2.95627 -181.11277 1005.77441
7385.0000 -190.56774 -180.00550 10.56224 3.00119 -180.27888 1075.21538
7390.0000 -189.17467 -176.52409 12.65058 3.07652 -178.88024 1119.10756
7395.0000 -190.18289 -179.37882 10.80407 3.13771 -177.74420 1139.06109
7400.0000 -192.69311 -182.54505 10.14806 2.96337 -180.98110 1078.75736
7405.0000 -193.33254 -181.13423 12.19831 2.88624 -182.41312 1013.97607
7410.0000 -190.33561 -178.89214 11.44348 3.00831 -180.14660 1062.68924
7415.0000 -190.95703 -180.05856 10.89846 3.01932 -179.94230 1049.74951
7420.0000 -192.67251 -179.99732 12.67518 2.99941 -180.31181 1076.56801
7425.0000 -192.08704 -179.14836 12.93868 3.04020 -179.55462 1071.02961
7430.0000 -188.43280 -177.40880 11.02400 3.09269 -178.58011 1122.75075
7435.0000 -189.17671 -178.21774 10.95897 3.13956 -177.70972 1153.06842
7440.0000 -191.14304 -181.29482 9.84822 3.02427 -179.85033 1094.23959
7445.0000 -192.41619 -182.02705 10.38914 2.94553 -181.31225 1011.19032
7450.0000 -190.11631 -179.35963 10.75669 3.04539 -179.45823 1106.54721
7455.0000 -191.33699 -181.80811 9.52889 2.92273 -181.73556 990.66023
7460.0000 -191.32596 -180.12654 11.19942 2.98028 -180.66714 1029.95638
7465.0000 -190.68545 -181.50286 9.18259 2.94017 -181.41179 979.79152
7470.0000 -192.81139 -181.18683 11.62456 2.93907 -181.43215 998.39204
7475.0000 -191.77785 -180.77246 11.00539 2.98824 -180.51934 1053.72129
7480.0000 -189.34762 -179.10693 10.24068 3.06084 -179.17144 1105.03563
7485.0000 -192.81670 -182.00437 10.81232 3.00031 -180.29521 1072.20949
7490.0000 -191.57366 -180.70207 10.87159 2.92652 -181.66522 1041.52863
7495.0000 -190.35065 -179.84651 10.50414 3.02608 -179.81664 1086.84191
7500.0000 -191.44956 -180.76090 10.68866 2.96283 -180.99101 1037.91379
MELTING PROCESS: loop number 31 T-loop= 1079.0000000000000
main_MD> interactions number 31 at Temperature= 1079.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.94496 2.96057 1.22511
force_rgl> df(natom) 0.38080 0.68333 -0.53975
7505.0000 -192.68818 -180.82299 11.86519 2.97898 -180.69123 1044.36916
7510.0000 -193.55283 -183.02962 10.52321 2.95539 -181.12923 1062.59398
7515.0000 -191.88539 -180.11428 11.77111 2.95927 -181.05710 1051.81936
7520.0000 -190.01890 -178.44615 11.57275 3.04711 -179.42628 1071.21172
7525.0000 -191.38783 -178.66189 12.72594 3.08794 -178.66822 1149.56601
7530.0000 -189.61755 -178.13024 11.48731 3.08057 -178.80502 1160.65882
7535.0000 -191.13985 -181.22365 9.91620 2.98581 -180.56431 1039.03054
7540.0000 -192.85451 -182.97007 9.88444 2.91374 -181.90249 984.47293
7545.0000 -192.18323 -180.87979 11.30344 2.90796 -182.00974 1039.71971
7550.0000 -191.60936 -178.90242 12.70695 3.05653 -179.25133 1111.00429
7555.0000 -190.99875 -179.84267 11.15608 3.00371 -180.23198 1094.21592
7560.0000 -192.43533 -181.91906 10.51628 2.98456 -180.58759 1075.54528
7565.0000 -190.77004 -180.53320 10.23684 2.92265 -181.73712 1028.97888
7570.0000 -191.74907 -180.68460 11.06446 2.98804 -180.52294 1068.32616
7575.0000 -190.93018 -178.01971 12.91048 3.09842 -178.47359 1131.03035
7580.0000 -190.17619 -178.72667 11.44951 3.09714 -178.49745 1144.57998
7585.0000 -192.50319 -180.90121 11.60197 2.99621 -180.37132 1026.72991
7590.0000 -190.51581 -177.73856 12.77725 3.06754 -179.04703 1116.90822
7595.0000 -190.24997 -179.13527 11.11470 3.03363 -179.67656 1077.74021
7600.0000 -190.41761 -179.56986 10.84775 3.06729 -179.05166 1086.35561
7605.0000 -192.36815 -181.73607 10.63208 2.92633 -181.66878 1010.46134
7610.0000 -194.31597 -181.91553 12.40044 2.92408 -181.71049 997.58647
7615.0000 -191.70823 -179.81211 11.89613 2.96457 -180.95877 1045.41323
7620.0000 -189.37908 -178.56087 10.81821 3.02230 -179.88699 1094.60639
7625.0000 -189.89004 -178.23367 11.65636 3.04107 -179.53834 1105.76051
7630.0000 -189.53358 -178.18960 11.34398 3.06560 -179.08298 1095.30166
7635.0000 -188.94866 -176.74988 12.19879 3.15130 -177.49177 1160.02084
7640.0000 -189.83344 -177.76895 12.06448 3.15704 -177.38525 1171.64223
7645.0000 -189.99660 -179.07059 10.92602 3.10484 -178.35447 1136.36099
7650.0000 -189.74330 -177.23965 12.50366 3.15186 -177.48136 1140.35132
7655.0000 -191.95077 -180.15781 11.79296 3.07515 -178.90564 1123.61371
7660.0000 -193.20578 -183.61237 9.59341 2.90300 -182.10195 1002.14208
7665.0000 -192.19667 -181.75579 10.44087 2.87203 -182.67683 972.35899
7670.0000 -192.06177 -180.71364 11.34814 2.88232 -182.48576 1006.59665
7675.0000 -191.01808 -179.22990 11.78818 3.05646 -179.25266 1092.59463
7680.0000 -190.04238 -179.68019 10.36219 3.02331 -179.86807 1068.34524
7685.0000 -192.62711 -182.15433 10.47278 2.98689 -180.54430 1072.43198
7690.0000 -191.89849 -181.59582 10.30268 2.89329 -182.28220 980.56128
7695.0000 -192.07863 -181.80627 10.27236 2.95266 -181.17983 1035.82450
7700.0000 -190.97000 -179.59989 11.37011 2.94748 -181.27600 1021.11179
7705.0000 -191.16752 -178.78528 12.38224 3.04326 -179.49777 1085.48413
7710.0000 -188.80481 -178.49483 10.30998 3.09194 -178.59399 1126.94896
7715.0000 -190.67302 -178.89477 11.77825 3.08790 -178.66895 1117.36634
7720.0000 -191.86836 -181.22133 10.64703 3.02561 -179.82536 1096.38664
7725.0000 -189.21940 -178.94973 10.26967 3.01992 -179.93117 1049.10814
7730.0000 -188.94636 -178.57242 10.37393 3.14899 -177.53471 1153.39187
7735.0000 -192.55454 -180.65068 11.90386 3.08140 -178.78958 1097.61131
7740.0000 -191.75703 -179.90175 11.85528 3.01238 -180.07111 1082.49672
7745.0000 -190.43874 -178.80226 11.63647 3.04608 -179.44541 1094.58799
7750.0000 -189.80415 -177.99218 11.81197 3.11731 -178.12296 1150.19478
MELTING PROCESS: loop number 32 T-loop= 1104.0000000000000
main_MD> interactions number 32 at Temperature= 1104.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.17187 -1.79499 1.47660
force_rgl> df(natom) 0.89077 -0.65914 -1.48030
7755.0000 -190.69204 -179.44320 11.24885 3.11525 -178.16125 1146.34116
7760.0000 -190.88479 -180.29685 10.58795 3.01882 -179.95147 1055.56440
7765.0000 -189.25370 -178.90649 10.34721 3.02873 -179.76749 1062.19046
7770.0000 -191.34054 -179.23803 12.10252 3.12988 -177.88948 1140.34456
7775.0000 -189.53868 -178.76936 10.76932 3.05716 -179.23961 1109.37066
7780.0000 -191.14216 -179.48335 11.65881 3.04643 -179.43896 1106.47479
7785.0000 -192.10689 -181.06370 11.04319 2.95998 -181.04401 1046.40961
7790.0000 -192.83234 -181.01234 11.82001 2.95631 -181.11218 1047.00167
7795.0000 -193.15077 -182.21689 10.93388 2.91257 -181.92423 999.82798
7800.0000 -190.85535 -178.60028 12.25507 3.01630 -179.99831 1081.06072
7805.0000 -190.01704 -179.21982 10.79723 3.06767 -179.04458 1116.75561
7810.0000 -191.63509 -180.00526 11.62983 2.99582 -180.37853 1047.32367
7815.0000 -192.23330 -180.83466 11.39864 3.00495 -180.20896 1062.47030
7820.0000 -190.16040 -177.36217 12.79823 3.08714 -178.68307 1115.30807
7825.0000 -188.75318 -176.24791 12.50528 3.15524 -177.41868 1168.91574
7830.0000 -187.94763 -176.61678 11.33085 3.15845 -177.35903 1189.96775
7835.0000 -188.34369 -178.29622 10.04746 3.20042 -176.57992 1208.43619
7840.0000 -189.64407 -179.06549 10.57858 3.09921 -178.45895 1137.73932
7845.0000 -189.47782 -178.88843 10.58939 3.15431 -177.43603 1149.75579
7850.0000 -187.95401 -176.94764 11.00637 3.14899 -177.53473 1132.16608
7855.0000 -190.72774 -178.34303 12.38471 3.20423 -176.50920 1141.11991
7860.0000 -191.17480 -178.69295 12.48186 3.02010 -179.92777 1054.49065
7865.0000 -190.75512 -178.19308 12.56204 3.13746 -177.74874 1152.98531
7870.0000 -191.98534 -181.13685 10.84849 3.04376 -179.48848 1110.17310
7875.0000 -192.13896 -180.11188 12.02709 2.94660 -181.29233 1019.14605
7880.0000 -192.44784 -180.41193 12.03590 2.98894 -180.50620 1062.94232
7885.0000 -191.35450 -179.44576 11.90875 2.98417 -180.59479 1066.31843
7890.0000 -192.18643 -179.66829 12.51814 3.06433 -179.10652 1117.02564
7895.0000 -190.22960 -177.53123 12.69837 3.05687 -179.24509 1139.76076
7900.0000 -187.46621 -174.92675 12.53946 3.21179 -176.36878 1213.18221
7905.0000 -190.38746 -180.42294 9.96452 3.16043 -177.32230 1164.88374
7910.0000 -189.19344 -178.79190 10.40154 3.02683 -179.80280 1055.23822
7915.0000 -190.78926 -178.79480 11.99446 3.11918 -178.08825 1157.48627
7920.0000 -191.47520 -179.23847 12.23672 3.04687 -179.43070 1085.61502
7925.0000 -192.29907 -180.74183 11.55723 3.04794 -179.41091 1095.53039
7930.0000 -189.96445 -179.08618 10.87827 3.01257 -180.06764 1090.51067
7935.0000 -188.79095 -177.56964 11.22131 3.12024 -178.06860 1148.61798
7940.0000 -188.64664 -178.56268 10.08396 3.14261 -177.65322 1186.80351
7945.0000 -193.07391 -180.48030 12.59361 3.02683 -179.80272 1108.98004
7950.0000 -190.27355 -179.43882 10.83473 3.02908 -179.76103 1075.54468
7955.0000 -190.63838 -178.44564 12.19274 3.11209 -178.21974 1132.61275
7960.0000 -193.33938 -181.76085 11.57854 2.95079 -181.21467 1027.86260
7965.0000 -192.11841 -181.86452 10.25389 2.96499 -180.95086 1035.52577
7970.0000 -191.13276 -180.67170 10.46106 2.91618 -181.85710 1014.45877
7975.0000 -190.99042 -178.48394 12.50648 3.05224 -179.33112 1105.16384
7980.0000 -190.23354 -178.25818 11.97537 3.13703 -177.75683 1134.52383
7985.0000 -189.04765 -179.41262 9.63503 3.10794 -178.29681 1130.69196
7990.0000 -188.48036 -178.51162 9.96874 3.10375 -178.37475 1115.71509
7995.0000 -188.18176 -174.98481 13.19695 3.17178 -177.11154 1120.99796
8000.0000 -187.82861 -176.99821 10.83040 3.21588 -176.29287 1184.12800
MELTING PROCESS: loop number 33 T-loop= 1129.0000000000000
main_MD> interactions number 33 at Temperature= 1129.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.72084 -2.43964 -2.15185
force_rgl> df(natom) 1.93602 -0.78252 -1.65127
8005.0000 -190.90173 -178.16688 12.73485 3.14135 -177.67658 1146.96936
8010.0000 -191.26131 -178.40686 12.85445 3.14127 -177.67811 1173.32003
8015.0000 -190.42247 -178.70280 11.71967 3.10077 -178.42996 1155.60860
8020.0000 -189.64127 -179.82047 9.82080 3.04913 -179.38873 1101.13022
8025.0000 -189.88391 -178.06284 11.82107 3.10703 -178.31370 1115.75394
8030.0000 -190.32875 -178.38421 11.94455 3.11373 -178.18947 1123.89766
8035.0000 -190.42780 -178.96304 11.46476 3.18277 -176.90750 1177.76353
8040.0000 -190.05830 -178.57453 11.48377 3.11910 -178.08962 1140.14913
8045.0000 -192.54143 -181.02882 11.51260 3.05928 -179.20030 1099.17619
8050.0000 -191.59032 -181.59113 9.99920 2.93062 -181.58909 1028.33525
8055.0000 -191.88716 -181.24584 10.64132 2.89875 -182.18074 987.18224
8060.0000 -190.40149 -177.79521 12.60628 3.06912 -179.01759 1105.70828
8065.0000 -190.51964 -180.68581 9.83384 3.05092 -179.35546 1118.47398
8070.0000 -190.18700 -178.80278 11.38422 3.03601 -179.63239 1109.23601
8075.0000 -191.31670 -179.92866 11.38804 3.03218 -179.70339 1094.00334
8080.0000 -187.17084 -176.98413 10.18671 3.09466 -178.54349 1127.88577
8085.0000 -189.76677 -176.65545 13.11132 3.19386 -176.70161 1193.39078
8090.0000 -189.82279 -178.62594 11.19684 3.13410 -177.81118 1150.15496
8095.0000 -188.71752 -177.38270 11.33482 3.13652 -177.76620 1126.73572
8100.0000 -188.15730 -176.64622 11.51108 3.11761 -178.11736 1124.02905
8105.0000 -188.64861 -177.78234 10.86626 3.16711 -177.19833 1157.90333
8110.0000 -190.64161 -177.90514 12.73648 3.10619 -178.32938 1117.11292
8115.0000 -188.46203 -176.82735 11.63468 3.13113 -177.86626 1156.25473
8120.0000 -190.99953 -177.89628 13.10325 3.11810 -178.10823 1161.41047
8125.0000 -187.32220 -174.82916 12.49304 3.20838 -176.43210 1221.06205
8130.0000 -189.87682 -177.48169 12.39513 3.18419 -176.88111 1175.20029
8135.0000 -190.13267 -178.58633 11.54634 3.13239 -177.84294 1100.37771
8140.0000 -188.39901 -177.00454 11.39447 3.12415 -177.99589 1089.40328
8145.0000 -188.17055 -176.94020 11.23036 3.18605 -176.84659 1189.55381
8150.0000 -189.78117 -177.24323 12.53795 3.15418 -177.43834 1173.17633
8155.0000 -188.79016 -178.35962 10.43053 3.21247 -176.35606 1155.85191
8160.0000 -189.14308 -177.73427 11.40881 3.12365 -178.00519 1133.76428
8165.0000 -189.39450 -176.26026 13.13424 3.10149 -178.41663 1140.11271
8170.0000 -189.92222 -178.32490 11.59732 3.09450 -178.54645 1133.00900
8175.0000 -191.40412 -180.24110 11.16301 3.10275 -178.39332 1132.87918
8180.0000 -190.02795 -179.12108 10.90687 3.01912 -179.94593 1070.45585
8185.0000 -187.74449 -178.11310 9.63140 3.06729 -179.05168 1115.16481
8190.0000 -189.70272 -177.53185 12.17087 3.16212 -177.29093 1162.94145
8195.0000 -186.85727 -173.48896 13.36831 3.27629 -175.17118 1236.41140
8200.0000 -188.70248 -177.83286 10.86961 3.23694 -175.90188 1209.26213
8205.0000 -188.74873 -176.59221 12.15653 3.14550 -177.59957 1133.84583
8210.0000 -191.08691 -179.53774 11.54917 3.10181 -178.41066 1115.15092
8215.0000 -190.62196 -179.43636 11.18560 3.04722 -179.42426 1107.36122
8220.0000 -190.60377 -178.02283 12.58094 3.14936 -177.52778 1129.64328
8225.0000 -189.17538 -178.92980 10.24558 3.13508 -177.79300 1146.07950
8230.0000 -190.19169 -177.52700 12.66469 3.09895 -178.46384 1107.92273
8235.0000 -188.83108 -175.46134 13.36974 3.21297 -176.34682 1187.83487
8240.0000 -189.48301 -177.51963 11.96338 3.20315 -176.52915 1190.44925
8245.0000 -188.87956 -176.91385 11.96571 3.13155 -177.85855 1134.37431
8250.0000 -189.18014 -176.61464 12.56550 3.11570 -178.15274 1142.32962
MELTING PROCESS: loop number 34 T-loop= 1154.0000000000000
main_MD> interactions number 34 at Temperature= 1154.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.53347 1.17544 -0.27215
force_rgl> df(natom) -3.15181 1.36858 -1.12785
8255.0000 -190.74308 -178.61416 12.12892 3.16856 -177.17147 1193.26923
8260.0000 -191.68577 -178.59008 13.09569 3.13104 -177.86797 1185.98805
8265.0000 -190.45338 -177.52978 12.92360 3.15864 -177.35555 1174.93474
8270.0000 -190.63441 -178.64693 11.98748 3.07449 -178.91800 1109.35915
8275.0000 -188.59486 -177.27162 11.32324 3.14482 -177.61218 1175.13771
8280.0000 -186.72969 -175.05740 11.67229 3.21721 -176.26807 1211.41671
8285.0000 -189.48322 -175.49546 13.98775 3.14717 -177.56854 1141.85231
8290.0000 -190.37483 -178.48360 11.89122 3.12622 -177.95748 1141.55968
8295.0000 -190.91511 -180.64212 10.27299 3.10300 -178.38857 1123.45138
8300.0000 -189.44641 -176.47357 12.97284 3.04604 -179.44614 1070.69457
8305.0000 -185.22988 -174.34394 10.88594 3.23906 -175.86240 1206.63013
8310.0000 -188.99797 -176.78216 12.21581 3.24639 -175.72629 1195.28627
8315.0000 -189.45331 -176.56296 12.89035 3.21131 -176.37765 1206.57728
8320.0000 -191.03029 -178.36187 12.66842 3.17565 -177.03967 1199.04157
8325.0000 -189.45156 -177.97529 11.47627 3.08426 -178.73661 1111.59310
8330.0000 -191.85079 -178.03593 13.81487 3.12479 -177.98405 1139.11758
8335.0000 -190.52088 -178.95299 11.56789 3.04377 -179.48832 1111.04497
8340.0000 -190.71594 -179.59267 11.12327 3.01109 -180.09502 1083.41553
8345.0000 -191.37121 -176.29167 15.07954 3.05747 -179.23385 1099.65643
8350.0000 -189.57793 -176.54713 13.03080 3.25913 -175.48982 1231.58455
8355.0000 -187.67325 -176.79157 10.88168 3.23000 -176.03065 1232.81964
8360.0000 -189.31636 -177.11105 12.20531 3.19034 -176.76705 1177.40741
8365.0000 -188.54658 -176.52121 12.02537 3.19063 -176.76161 1144.81468
8370.0000 -189.60612 -177.19921 12.40691 3.12920 -177.90223 1175.32475
8375.0000 -189.70946 -179.22484 10.48462 3.06053 -179.17720 1112.15760
8380.0000 -194.00488 -183.34970 10.65518 2.95242 -181.18439 1043.03682
8385.0000 -192.11284 -180.64806 11.46478 2.90165 -182.12695 984.52048
8390.0000 -190.71503 -180.12986 10.58517 2.97261 -180.80949 1041.54379
8395.0000 -190.74696 -178.98521 11.76175 3.04591 -179.44861 1094.99105
8400.0000 -190.95175 -181.31660 9.63514 3.02108 -179.90961 1074.46857
8405.0000 -191.21892 -180.00413 11.21479 2.96199 -181.00668 1064.94428
8410.0000 -190.09970 -178.96351 11.13619 3.05588 -179.26347 1137.23249
8415.0000 -191.82365 -179.21931 12.60434 3.06852 -179.02885 1132.24015
8420.0000 -190.29558 -179.15526 11.14032 3.03460 -179.65855 1093.20044
8425.0000 -191.41394 -179.95546 11.45849 3.09265 -178.58067 1138.28683
8430.0000 -189.86192 -177.59221 12.26972 3.12423 -177.99437 1143.57754
8435.0000 -190.22150 -177.43465 12.78685 3.05174 -179.34028 1070.07776
8440.0000 -189.46493 -176.57805 12.88688 3.22997 -176.03122 1225.92148
8445.0000 -191.04790 -178.76800 12.27990 3.11234 -178.21526 1133.19937
8450.0000 -190.00577 -177.23302 12.77275 3.10973 -178.26358 1132.74644
8455.0000 -191.19374 -179.12551 12.06823 3.16365 -177.26247 1158.64046
8460.0000 -193.00193 -181.84211 11.15982 2.99024 -180.48220 1036.94342
8465.0000 -188.90962 -177.65800 11.25162 3.06235 -179.14328 1127.33251
8470.0000 -188.81819 -176.48352 12.33467 3.17260 -177.09636 1170.91916
8475.0000 -189.86127 -177.75894 12.10234 3.10096 -178.42648 1116.81176
8480.0000 -188.07082 -177.01453 11.05629 3.14035 -177.69513 1160.75568
8485.0000 -188.97061 -175.78006 13.19054 3.19924 -176.60180 1187.46333
8490.0000 -187.33527 -175.91343 11.42185 3.24477 -175.75642 1230.54871
8495.0000 -190.52663 -178.82255 11.70408 3.14145 -177.67482 1162.79740
8500.0000 -189.46335 -178.28638 11.17697 3.11104 -178.23931 1112.21660
MELTING PROCESS: loop number 35 T-loop= 1179.0000000000000
main_MD> interactions number 35 at Temperature= 1179.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.41789 0.39661 -3.90899
force_rgl> df(natom) -0.21896 -2.51646 6.17381
8505.0000 -188.67577 -175.91534 12.76044 3.19185 -176.73906 1174.79501
8510.0000 -190.90248 -180.36289 10.53959 3.16237 -177.28625 1179.51040
8515.0000 -191.59144 -178.47284 13.11860 3.09891 -178.46453 1121.25979
8520.0000 -190.32037 -179.31664 11.00372 3.03266 -179.69458 1092.87128
8525.0000 -189.82455 -178.20852 11.61603 3.03540 -179.64361 1098.25424
8530.0000 -187.13491 -176.03239 11.10252 3.18124 -176.93594 1170.00374
8535.0000 -189.31466 -178.17997 11.13469 3.19177 -176.74053 1172.16827
8540.0000 -189.59519 -177.58040 12.01479 3.23273 -175.98002 1225.94849
8545.0000 -188.24751 -176.22355 12.02396 3.17504 -177.05111 1178.44551
8550.0000 -190.64945 -177.72649 12.92296 3.10589 -178.33495 1127.17354
8555.0000 -190.40690 -177.75343 12.65347 3.18757 -176.81844 1192.25026
8560.0000 -189.70116 -177.61747 12.08368 3.15681 -177.38947 1156.07557
8565.0000 -187.74773 -177.42611 10.32162 3.17068 -177.13200 1154.55176
8570.0000 -188.59309 -175.54394 13.04915 3.23253 -175.98368 1205.32332
8575.0000 -188.81088 -177.22830 11.58258 3.15737 -177.37911 1194.50797
8580.0000 -188.51630 -176.23357 12.28273 3.13726 -177.75246 1182.43232
8585.0000 -188.28883 -174.74755 13.54129 3.26694 -175.34488 1265.58497
8590.0000 -190.61026 -178.72754 11.88272 3.13388 -177.81520 1173.08229
8595.0000 -189.39340 -178.90785 10.48555 3.10755 -178.30403 1137.75622
8600.0000 -189.88705 -178.62344 11.26361 3.10232 -178.40131 1142.24106
8605.0000 -191.24979 -178.56638 12.68342 3.05569 -179.26694 1107.42833
8610.0000 -190.27152 -179.10628 11.16524 3.10679 -178.31829 1126.26340
8615.0000 -190.23217 -178.31622 11.91594 3.07434 -178.92071 1115.55139
8620.0000 -191.70171 -178.42799 13.27372 3.17811 -176.99402 1193.63849
8625.0000 -189.82928 -178.09909 11.73019 3.07864 -178.84091 1134.28667
8630.0000 -188.46278 -175.35411 13.10868 3.18785 -176.81325 1204.56715
8635.0000 -189.49740 -174.76898 14.72842 3.29298 -174.86137 1264.83334
8640.0000 -189.05628 -176.93740 12.11888 3.24300 -175.78928 1226.37638
8645.0000 -187.47782 -175.10306 12.37476 3.27555 -175.18501 1235.11452
8650.0000 -189.57714 -177.80907 11.76806 3.18450 -176.87552 1197.47081
8655.0000 -191.69795 -178.69489 13.00306 3.13061 -177.87598 1131.68595
8660.0000 -189.62625 -178.35187 11.27438 3.09742 -178.49222 1144.74109
8665.0000 -188.33063 -176.52249 11.80814 3.20343 -176.52391 1202.35173
8670.0000 -189.23438 -176.48470 12.74967 3.17361 -177.07763 1159.77583
8675.0000 -191.51824 -178.52560 12.99264 3.18420 -176.88101 1145.65447
8680.0000 -188.81697 -178.33296 10.48401 3.09634 -178.51228 1127.18122
8685.0000 -188.45996 -176.64656 11.81340 3.13431 -177.80728 1147.78185
8690.0000 -188.83868 -176.54333 12.29535 3.22940 -176.04190 1241.85557
8695.0000 -187.28977 -175.65736 11.63242 3.18002 -176.95858 1197.45710
8700.0000 -187.65700 -176.49633 11.16067 3.29169 -174.88529 1289.41498
8705.0000 -190.03977 -178.30838 11.73139 3.15467 -177.42927 1133.77772
8710.0000 -191.53515 -180.98153 10.55362 2.98768 -180.52960 1024.81097
8715.0000 -189.76738 -179.30083 10.46656 3.01192 -180.07957 1087.64126
8720.0000 -190.18274 -180.47827 9.70447 3.00419 -180.22314 1076.44112
8725.0000 -188.35396 -175.97635 12.37761 3.06972 -179.00653 1095.64398
8730.0000 -189.86639 -178.57863 11.28777 3.18113 -176.93793 1206.02015
8735.0000 -186.09697 -175.00006 11.09691 3.18257 -176.91133 1158.27631
8740.0000 -188.05980 -174.88358 13.17621 3.25896 -175.49292 1231.39252
8745.0000 -185.41494 -170.57392 14.84102 3.46285 -171.70748 1365.05876
8750.0000 -188.48844 -174.95452 13.53393 3.28529 -175.00413 1228.11499
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 49.1058195 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink