tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/meltingSims/run_37/melt.log

2034 lines
201 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: melting
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoMelt_37.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 = 37 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 37 3700
main_MD> Size of nv and nvoiz: 37 3700
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 = 37
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> -4.6009321390768784E-002 -4.3932572014947796E-002 -1.6480509760052203E-002 initial drift of cluster / NP1 for coalescence
init> 0.32665388633231351 0.31536967303989261 0.29184492046788002 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.8061583825721946E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38398 0.46206 -1.19868
force_rgl> df(natom) 1.93918 1.95560 1.92026
preparo> THERMALIZATION PROCESS AT 284.02870862822999
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -91.066876123654268 1.1798570023839625 -92.246733126038237 3.5830845347298925E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for melting
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 36
MELTING PROCESS: loop number 1 T-loop= 308.00000000000000
main_MD> interactions number 1 at Temperature= 308.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00118 0.55744 0.31246
force_rgl> df(natom) 2.20764 1.16871 2.72840
5.0000 -91.70546 -90.16106 1.54440 1.67964 -90.49982 275.16293
10.0000 -91.80674 -90.03839 1.76835 1.73636 -89.87000 334.73276
15.0000 -91.53782 -90.07614 1.46167 1.72676 -89.97652 323.85145
20.0000 -91.67808 -90.18452 1.49357 1.72156 -90.03428 319.18455
25.0000 -91.42529 -90.06600 1.35929 1.71996 -90.05202 313.09712
30.0000 -91.55019 -89.85395 1.69624 1.71720 -90.08277 316.02871
35.0000 -91.60201 -90.10615 1.49586 1.71823 -90.07123 319.54757
40.0000 -91.21928 -89.45561 1.76367 1.74575 -89.76569 326.09047
45.0000 -91.29828 -89.64708 1.65120 1.75372 -89.67717 356.33487
50.0000 -91.56711 -89.79950 1.76762 1.73461 -89.88937 337.84615
55.0000 -91.60113 -90.12469 1.47644 1.72909 -89.95068 323.06182
60.0000 -91.10983 -89.86948 1.24035 1.74360 -89.78964 343.53295
65.0000 -91.51169 -89.68551 1.82617 1.77363 -89.45610 376.64666
70.0000 -91.45793 -90.02419 1.43374 1.72808 -89.96195 326.83614
75.0000 -91.36287 -89.84524 1.51763 1.72860 -89.95615 323.17735
80.0000 -91.22302 -89.53640 1.68662 1.74850 -89.73521 351.12626
85.0000 -91.46588 -90.01342 1.45246 1.74262 -89.80049 354.48059
90.0000 -91.30453 -90.19037 1.11416 1.71546 -90.10199 312.32766
95.0000 -91.74205 -89.88077 1.86127 1.70433 -90.22563 296.12347
100.0000 -91.74835 -90.07521 1.67314 1.72919 -89.94964 322.30761
105.0000 -91.51574 -89.61774 1.89800 1.74026 -89.82669 340.55099
110.0000 -91.60835 -90.04570 1.56265 1.72897 -89.95200 331.87921
115.0000 -91.70093 -90.28304 1.41788 1.71483 -90.10905 313.12993
120.0000 -91.46314 -89.92392 1.53921 1.70744 -90.19111 306.14771
125.0000 -91.38510 -89.73722 1.64788 1.73427 -89.89316 329.35619
130.0000 -91.64642 -90.34090 1.30551 1.74206 -89.80667 338.99893
135.0000 -91.45675 -89.84979 1.60695 1.71508 -90.10630 307.91319
140.0000 -91.69536 -90.24473 1.45063 1.72026 -90.04873 320.68856
145.0000 -91.39115 -90.27170 1.11945 1.68783 -90.40889 285.37903
150.0000 -91.16213 -89.91734 1.24478 1.70701 -90.19592 304.49930
155.0000 -91.53798 -89.93917 1.59881 1.73885 -89.84227 338.93687
160.0000 -91.65406 -90.31647 1.33759 1.70045 -90.26868 296.15381
165.0000 -91.44258 -89.80991 1.63267 1.71342 -90.12467 313.15677
170.0000 -91.13601 -89.72496 1.41105 1.74934 -89.72580 349.11106
175.0000 -91.76899 -90.34003 1.42897 1.73634 -89.87024 335.49294
180.0000 -91.36268 -90.02060 1.34208 1.70914 -90.17224 305.43042
185.0000 -91.95565 -90.00019 1.95546 1.71258 -90.13398 314.89835
190.0000 -91.20818 -89.61234 1.59584 1.72673 -89.97691 328.47744
195.0000 -91.78208 -90.10745 1.67463 1.73335 -89.90340 330.41595
200.0000 -91.99317 -90.50005 1.49311 1.68383 -90.45324 282.51559
205.0000 -91.85956 -90.21421 1.64535 1.69973 -90.27670 299.09099
210.0000 -91.70894 -90.35167 1.35727 1.69743 -90.30225 292.35971
215.0000 -91.52439 -90.25480 1.26959 1.70573 -90.21012 306.45648
220.0000 -91.80915 -90.06137 1.74779 1.73071 -89.93273 330.51561
225.0000 -91.61772 -90.09408 1.52364 1.72490 -89.99718 321.89771
230.0000 -91.97641 -90.53803 1.43838 1.67619 -90.53807 271.62803
235.0000 -91.94628 -90.38314 1.56314 1.69339 -90.34712 290.01433
240.0000 -91.58661 -90.20713 1.37948 1.70347 -90.23519 298.85906
245.0000 -91.01927 -89.47185 1.54741 1.72120 -90.03829 317.06506
250.0000 -91.67471 -90.06652 1.60819 1.75093 -89.70824 353.93022
MELTING PROCESS: loop number 2 T-loop= 333.00000000000000
main_MD> interactions number 2 at Temperature= 333.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.22423 -1.83975 1.55445
force_rgl> df(natom) -0.64719 0.75232 2.09565
255.0000 -91.53882 -89.63467 1.90415 1.73724 -89.86020 336.55266
260.0000 -91.61761 -90.15792 1.45969 1.74280 -89.79846 343.97488
265.0000 -91.93376 -90.59496 1.33880 1.68443 -90.44657 280.35445
270.0000 -90.98906 -89.34551 1.64355 1.71846 -90.06869 312.38525
275.0000 -91.46513 -89.63285 1.83228 1.77120 -89.48309 367.63675
280.0000 -91.72779 -89.91119 1.81660 1.73372 -89.89926 329.45103
285.0000 -91.80116 -90.15362 1.64754 1.71026 -90.15976 303.22479
290.0000 -91.56209 -90.21691 1.34518 1.72353 -90.01246 318.74189
295.0000 -91.70727 -90.28667 1.42060 1.71175 -90.14329 308.43032
300.0000 -91.58216 -90.21931 1.36285 1.70532 -90.21467 304.60931
305.0000 -91.82789 -90.57710 1.25079 1.70782 -90.18683 305.42245
310.0000 -91.33370 -89.94449 1.38921 1.73182 -89.92039 336.33242
315.0000 -90.78947 -89.10962 1.67985 1.77342 -89.45842 374.01670
320.0000 -91.02380 -89.72003 1.30377 1.78450 -89.33540 366.32940
325.0000 -91.55592 -89.89808 1.65784 1.74197 -89.80771 311.86346
330.0000 -91.24665 -89.73909 1.50755 1.74712 -89.75051 321.09065
335.0000 -91.00215 -89.71102 1.29113 1.75637 -89.64783 332.86008
340.0000 -91.11613 -89.37883 1.73731 1.75965 -89.61140 336.24987
345.0000 -91.20002 -89.72173 1.47829 1.74544 -89.76912 332.40302
350.0000 -91.86029 -90.38312 1.47717 1.72888 -89.95307 327.33669
355.0000 -91.43161 -89.62138 1.81023 1.73284 -89.90904 327.05953
360.0000 -91.40613 -89.81617 1.58996 1.75568 -89.65542 362.01244
365.0000 -91.42387 -89.76453 1.65933 1.73606 -89.87328 346.21654
370.0000 -91.60299 -89.52975 2.07325 1.75309 -89.68425 356.51563
375.0000 -91.52796 -89.76696 1.76100 1.74414 -89.78361 354.27897
380.0000 -91.25727 -89.95375 1.30352 1.72918 -89.94967 338.05175
385.0000 -91.17262 -90.00647 1.16615 1.73513 -89.88364 338.28999
390.0000 -91.48604 -89.69102 1.79502 1.75659 -89.64537 359.72108
395.0000 -91.37838 -89.93233 1.44605 1.72495 -89.99666 324.26440
400.0000 -91.50160 -90.10280 1.39880 1.72057 -90.04536 321.99318
405.0000 -91.54631 -89.74532 1.80099 1.73411 -89.89492 343.14768
410.0000 -91.44846 -89.81244 1.63602 1.74432 -89.78159 347.84247
415.0000 -91.85021 -90.47170 1.37851 1.71918 -90.06073 339.75850
420.0000 -91.70960 -90.09982 1.60978 1.70774 -90.18774 316.71490
425.0000 -91.89039 -90.53254 1.35786 1.69121 -90.37133 296.93438
430.0000 -91.42652 -89.88666 1.53987 1.70800 -90.18485 318.06322
435.0000 -92.02680 -90.68474 1.34206 1.71218 -90.13845 323.56940
440.0000 -91.89379 -90.24077 1.65303 1.71439 -90.11389 327.61581
445.0000 -91.46028 -90.07815 1.38213 1.70878 -90.17618 323.84950
450.0000 -91.27227 -89.70632 1.56596 1.73885 -89.84237 347.05302
455.0000 -91.30870 -89.65935 1.64936 1.76373 -89.56601 369.05351
460.0000 -91.57502 -90.23129 1.34373 1.74833 -89.73709 360.50193
465.0000 -91.82178 -90.11547 1.70630 1.70558 -90.21177 315.52939
470.0000 -92.13188 -90.57650 1.55538 1.69361 -90.34464 303.56502
475.0000 -91.99149 -90.55553 1.43595 1.67737 -90.52496 282.17953
480.0000 -91.97635 -90.28849 1.68786 1.69633 -90.31441 306.10013
485.0000 -91.65081 -90.44614 1.20468 1.69057 -90.37842 299.55139
490.0000 -92.06092 -90.77943 1.28149 1.68721 -90.41568 293.70310
495.0000 -92.02219 -90.24357 1.77862 1.68171 -90.47680 292.77762
500.0000 -91.47735 -89.65006 1.82728 1.73493 -89.88583 347.79937
MELTING PROCESS: loop number 3 T-loop= 358.00000000000000
main_MD> interactions number 3 at Temperature= 358.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.62877 -1.06013 -0.68359
force_rgl> df(natom) -0.99362 -3.44089 1.26057
505.0000 -91.64014 -89.71122 1.92892 1.75232 -89.69280 363.58140
510.0000 -91.30926 -89.75863 1.55063 1.76562 -89.54508 390.35253
515.0000 -91.49731 -89.95344 1.54388 1.72657 -89.97865 341.30570
520.0000 -91.53492 -89.40331 2.13161 1.75467 -89.66667 370.35265
525.0000 -91.10257 -89.01171 2.09086 1.77917 -89.39465 398.81300
530.0000 -91.32663 -89.31322 2.01341 1.82358 -88.90155 442.92615
535.0000 -91.59392 -90.09454 1.49938 1.75328 -89.68215 369.39077
540.0000 -91.50651 -89.61774 1.88877 1.75372 -89.67719 376.34792
545.0000 -91.22343 -89.42454 1.79889 1.74053 -89.82371 364.85719
550.0000 -90.90515 -89.16679 1.73836 1.77867 -89.40021 384.41517
555.0000 -91.85780 -89.69420 2.16361 1.80411 -89.11766 424.02037
560.0000 -91.21265 -89.69706 1.51559 1.74367 -89.78883 358.86107
565.0000 -92.12014 -89.82949 2.29065 1.76615 -89.53922 383.09465
570.0000 -91.65747 -90.06626 1.59121 1.72302 -90.01810 332.24071
575.0000 -91.69824 -89.85711 1.84113 1.73259 -89.91188 340.92409
580.0000 -91.49434 -89.70996 1.78437 1.74510 -89.77294 363.23479
585.0000 -91.68593 -89.72926 1.95666 1.75565 -89.65581 371.54987
590.0000 -91.39904 -89.53643 1.86262 1.75526 -89.66008 367.90172
595.0000 -91.69831 -89.85648 1.84182 1.76365 -89.56698 378.83861
600.0000 -91.71126 -90.16948 1.54178 1.71078 -90.15404 323.26364
605.0000 -91.51011 -89.92561 1.58450 1.70577 -90.20969 317.27416
610.0000 -91.89020 -89.94245 1.94775 1.72489 -89.99733 331.59155
615.0000 -91.03419 -89.63182 1.40237 1.77344 -89.45823 359.79522
620.0000 -91.07777 -89.72923 1.34853 1.74514 -89.77252 321.62574
625.0000 -90.93401 -89.23944 1.69457 1.79502 -89.21861 365.98705
630.0000 -90.85266 -89.37907 1.47358 1.77764 -89.41164 346.38751
635.0000 -91.15206 -89.76332 1.38873 1.76735 -89.52588 341.29331
640.0000 -91.24344 -89.78146 1.46198 1.74463 -89.77810 328.74221
645.0000 -90.76224 -89.23202 1.53021 1.76513 -89.55052 326.75543
650.0000 -90.83322 -88.86350 1.96972 1.79942 -89.16981 360.13744
655.0000 -90.83526 -88.77191 2.06336 1.81997 -88.94164 390.07951
660.0000 -91.56134 -89.72195 1.83939 1.79979 -89.16568 381.36620
665.0000 -91.34308 -89.62824 1.71484 1.73647 -89.86879 318.15881
670.0000 -91.33353 -89.79986 1.53367 1.75164 -89.70032 332.10323
675.0000 -91.23938 -89.87041 1.36897 1.75063 -89.71155 334.94869
680.0000 -91.42616 -89.71749 1.70867 1.73022 -89.93812 327.81471
685.0000 -91.57702 -89.92134 1.65568 1.73476 -89.88769 327.71230
690.0000 -91.49710 -89.92841 1.56869 1.71673 -90.08799 311.02266
695.0000 -91.20537 -89.73152 1.47385 1.73286 -89.90883 327.49523
700.0000 -91.36452 -89.66222 1.70230 1.71870 -90.06611 313.91897
705.0000 -91.59792 -89.87151 1.72641 1.74433 -89.78145 331.13771
710.0000 -91.47431 -90.07175 1.40256 1.72563 -89.98915 322.83122
715.0000 -91.41874 -89.81174 1.60699 1.73114 -89.92788 331.35842
720.0000 -91.27349 -89.76214 1.51135 1.75868 -89.62211 364.22873
725.0000 -91.15610 -89.61723 1.53887 1.74957 -89.72331 342.01052
730.0000 -91.09644 -89.73886 1.35757 1.74999 -89.71869 335.36970
735.0000 -91.75826 -90.05709 1.70117 1.75337 -89.68105 334.51988
740.0000 -91.64089 -90.18316 1.45773 1.73725 -89.86014 306.93615
745.0000 -91.09179 -89.44404 1.64775 1.74167 -89.81104 320.33786
750.0000 -90.67391 -88.89394 1.77997 1.79567 -89.21139 381.74073
MELTING PROCESS: loop number 4 T-loop= 383.00000000000000
main_MD> interactions number 4 at Temperature= 383.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.21192 0.43882 0.57074
force_rgl> df(natom) -0.16862 -0.89335 1.14343
755.0000 -91.19665 -89.63672 1.55992 1.77781 -89.40972 353.43253
760.0000 -91.39197 -89.53242 1.85955 1.75521 -89.66070 346.28953
765.0000 -91.56308 -89.90944 1.65365 1.75773 -89.63271 364.81640
770.0000 -90.93215 -89.49102 1.44113 1.76775 -89.52142 373.68691
775.0000 -91.64941 -89.75849 1.89092 1.76209 -89.58424 361.44536
780.0000 -91.00750 -89.11135 1.89614 1.75667 -89.64443 354.78306
785.0000 -91.43250 -89.77166 1.66084 1.76969 -89.49992 375.38889
790.0000 -91.58780 -89.58325 2.00455 1.75153 -89.70154 342.55351
795.0000 -91.35289 -89.40456 1.94832 1.77965 -89.38930 388.55691
800.0000 -90.71790 -89.06976 1.64814 1.77325 -89.46036 379.11465
805.0000 -91.22623 -89.18891 2.03732 1.80177 -89.14363 395.34940
810.0000 -91.13847 -89.32796 1.81051 1.80147 -89.14697 387.23884
815.0000 -91.36899 -89.80569 1.56330 1.78532 -89.32633 371.98715
820.0000 -91.19182 -89.11852 2.07330 1.78606 -89.31816 379.21733
825.0000 -91.21707 -88.88603 2.33104 1.81068 -89.04470 413.83142
830.0000 -91.00214 -88.77367 2.22847 1.81739 -88.97023 413.55551
835.0000 -90.70872 -89.10617 1.60255 1.83494 -88.77541 425.03964
840.0000 -90.75606 -89.24161 1.51446 1.79659 -89.20125 385.00136
845.0000 -90.97693 -89.11030 1.86663 1.79407 -89.22918 373.42826
850.0000 -90.93360 -88.86144 2.07216 1.83208 -88.80708 402.66528
855.0000 -91.02965 -88.95945 2.07020 1.81439 -89.00351 412.77871
860.0000 -91.13280 -89.40102 1.73178 1.78099 -89.37444 362.11321
865.0000 -90.96110 -89.21957 1.74153 1.80190 -89.14223 389.54269
870.0000 -91.14883 -89.16275 1.98608 1.76889 -89.50882 363.20755
875.0000 -91.37072 -89.76312 1.60760 1.75689 -89.64205 350.58157
880.0000 -90.87179 -89.22483 1.64695 1.76348 -89.56883 348.77412
885.0000 -90.76033 -89.13474 1.62559 1.79219 -89.25004 369.87719
890.0000 -90.69844 -88.95114 1.74730 1.82116 -88.92834 391.78484
895.0000 -91.02990 -89.23794 1.79197 1.81834 -88.95964 387.29078
900.0000 -91.17822 -88.97442 2.20380 1.82590 -88.87570 400.34575
905.0000 -90.47506 -88.30445 2.17061 1.84458 -88.66832 421.90087
910.0000 -90.57194 -88.90253 1.66941 1.84681 -88.64357 423.66012
915.0000 -91.50075 -89.25147 2.24928 1.79602 -89.20755 377.18663
920.0000 -90.95045 -89.15035 1.80010 1.80328 -89.12688 397.64590
925.0000 -90.45911 -88.43424 2.02487 1.84528 -88.66052 439.39795
930.0000 -91.24609 -88.85285 2.39324 1.83783 -88.74333 446.49045
935.0000 -91.62002 -89.73579 1.88423 1.80019 -89.16121 405.46828
940.0000 -91.49446 -89.83188 1.66259 1.74555 -89.76797 346.82794
945.0000 -90.98298 -88.93668 2.04631 1.79304 -89.24062 399.06713
950.0000 -90.83399 -89.03281 1.80118 1.81592 -88.98659 398.84746
955.0000 -90.85618 -88.58272 2.27346 1.79732 -89.19312 386.55005
960.0000 -90.90110 -88.55227 2.34883 1.85250 -88.58040 459.92603
965.0000 -90.87076 -89.14275 1.72801 1.85384 -88.56549 442.12297
970.0000 -90.67384 -88.47542 2.19842 1.80489 -89.10902 381.71313
975.0000 -90.76301 -88.84789 1.91512 1.82229 -88.91579 403.47697
980.0000 -90.82779 -89.45423 1.37355 1.82792 -88.85332 415.25657
985.0000 -90.91284 -89.25406 1.65878 1.77614 -89.42832 343.76302
990.0000 -91.44979 -89.30143 2.14836 1.79368 -89.23350 365.85074
995.0000 -90.90045 -89.41446 1.48599 1.79629 -89.20450 385.98447
1000.0000 -90.57103 -88.90988 1.66115 1.80908 -89.06257 397.52493
MELTING PROCESS: loop number 5 T-loop= 408.00000000000000
main_MD> interactions number 5 at Temperature= 408.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.35830 -3.14636 4.76513
force_rgl> df(natom) -2.74552 0.13481 -0.58966
1005.0000 -90.51130 -88.82028 1.69102 1.83888 -88.73167 424.55409
1010.0000 -90.96788 -88.96948 1.99840 1.83793 -88.74215 419.31454
1015.0000 -90.77567 -88.85175 1.92392 1.84221 -88.69462 439.78768
1020.0000 -90.99535 -88.94660 2.04874 1.82382 -88.89888 423.49692
1025.0000 -91.33736 -89.69661 1.64075 1.76485 -89.55359 356.44311
1030.0000 -91.37753 -89.70055 1.67698 1.74475 -89.77676 338.03011
1035.0000 -90.97987 -89.07453 1.90534 1.76880 -89.50982 361.44554
1040.0000 -90.38382 -88.70075 1.68307 1.82469 -88.88920 416.51939
1045.0000 -90.73407 -88.59467 2.13940 1.84466 -88.66741 437.33333
1050.0000 -90.66030 -88.71052 1.94978 1.84394 -88.67542 433.43920
1055.0000 -90.58850 -88.35247 2.23603 1.83764 -88.74542 427.84402
1060.0000 -91.14460 -89.14086 2.00374 1.83241 -88.80350 428.37356
1065.0000 -90.85016 -88.99723 1.85293 1.82553 -88.87989 412.44967
1070.0000 -90.88327 -89.28078 1.60249 1.80233 -89.13750 393.11941
1075.0000 -90.70083 -88.75824 1.94259 1.85001 -88.60808 440.96341
1080.0000 -90.90138 -88.91581 1.98557 1.82430 -88.89356 400.22520
1085.0000 -90.95403 -88.97986 1.97418 1.82777 -88.85493 412.04310
1090.0000 -90.41749 -88.79974 1.61775 1.82238 -88.91481 425.54844
1095.0000 -91.42673 -89.36567 2.06106 1.80229 -89.13792 386.75820
1100.0000 -91.37752 -89.29296 2.08456 1.79301 -89.24097 378.35764
1105.0000 -91.45343 -89.33330 2.12013 1.76635 -89.53702 359.84017
1110.0000 -90.51837 -89.02494 1.49344 1.80614 -89.09521 407.24079
1115.0000 -90.87119 -88.74896 2.12223 1.78622 -89.31633 380.94802
1120.0000 -90.57290 -88.61205 1.96085 1.83318 -88.79491 415.53940
1125.0000 -90.57916 -88.61238 1.96677 1.86080 -88.48827 423.24884
1130.0000 -90.78658 -88.70070 2.08588 1.86012 -88.49577 413.47803
1135.0000 -90.98181 -89.07190 1.90991 1.81382 -89.00991 394.80812
1140.0000 -90.69477 -88.77841 1.91636 1.82298 -88.90822 407.23263
1145.0000 -90.95109 -89.01382 1.93726 1.81998 -88.94153 391.19639
1150.0000 -90.87994 -89.12828 1.75166 1.80558 -89.10141 381.54976
1155.0000 -90.96018 -88.71271 2.24746 1.81797 -88.96376 397.55941
1160.0000 -90.64236 -88.02592 2.61645 1.85911 -88.50704 439.80528
1165.0000 -90.69747 -88.64668 2.05079 1.87915 -88.28443 450.31619
1170.0000 -90.38093 -88.47791 1.90302 1.84979 -88.61045 424.79469
1175.0000 -90.74081 -88.69852 2.04229 1.85545 -88.54763 429.92519
1180.0000 -90.69245 -88.51394 2.17851 1.84641 -88.64800 424.70923
1185.0000 -91.06428 -89.11969 1.94460 1.83484 -88.77643 440.81842
1190.0000 -91.00822 -89.29517 1.71304 1.80453 -89.11308 391.84877
1195.0000 -91.21013 -89.24143 1.96870 1.82344 -88.90310 416.14189
1200.0000 -91.00724 -89.01997 1.98727 1.79772 -89.18863 388.20710
1205.0000 -90.36968 -88.70708 1.66259 1.79781 -89.18767 384.88864
1210.0000 -90.82644 -88.52329 2.30316 1.84664 -88.64544 427.25310
1215.0000 -91.44463 -89.61514 1.82949 1.80825 -89.07176 407.48671
1220.0000 -90.90487 -88.77712 2.12775 1.80321 -89.12772 395.45751
1225.0000 -90.90657 -88.57939 2.32719 1.85803 -88.51904 457.57489
1230.0000 -90.54560 -88.39234 2.15326 1.86683 -88.42131 464.33305
1235.0000 -90.64213 -88.67388 1.96824 1.85421 -88.56139 445.93366
1240.0000 -91.09104 -89.25126 1.83977 1.84975 -88.61091 439.35815
1245.0000 -90.95183 -89.23903 1.71279 1.77961 -89.38974 363.18773
1250.0000 -91.07664 -89.05151 2.02512 1.78507 -89.32915 359.99526
MELTING PROCESS: loop number 6 T-loop= 433.00000000000000
main_MD> interactions number 6 at Temperature= 433.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46889 -0.67815 0.76121
force_rgl> df(natom) -0.00076 0.98245 -1.92050
1255.0000 -90.93266 -88.97346 1.95919 1.80732 -89.08204 407.59569
1260.0000 -90.67509 -88.24167 2.43341 1.86406 -88.45203 443.30942
1265.0000 -90.29914 -87.88328 2.41586 1.89491 -88.10953 461.60162
1270.0000 -90.38894 -88.13885 2.25009 1.88141 -88.25933 449.74782
1275.0000 -91.05794 -89.09889 1.95906 1.84358 -88.67940 407.77652
1280.0000 -90.55926 -88.54462 2.01464 1.85654 -88.53557 422.50691
1285.0000 -90.00000 -87.77508 2.22492 1.89217 -88.13994 444.52428
1290.0000 -90.00810 -87.90539 2.10271 1.92102 -87.81959 489.60995
1295.0000 -90.70025 -88.49472 2.20553 1.87957 -88.27977 444.90280
1300.0000 -90.14340 -88.42010 1.72330 1.86697 -88.41975 438.84428
1305.0000 -90.87347 -88.96888 1.90459 1.85442 -88.55911 438.18660
1310.0000 -90.68235 -88.59558 2.08677 1.85518 -88.55058 457.21374
1315.0000 -91.01495 -89.23434 1.78060 1.82341 -88.90345 426.84583
1320.0000 -91.21497 -88.01723 3.19774 1.82136 -88.92621 431.24986
1325.0000 -90.77865 -88.82168 1.95697 1.86578 -88.43295 464.86110
1330.0000 -90.40696 -88.52789 1.87908 1.83847 -88.73623 406.56059
1335.0000 -90.30307 -88.27532 2.02775 1.86541 -88.43706 445.80222
1340.0000 -90.59809 -88.80832 1.78977 1.84535 -88.65976 425.69958
1345.0000 -91.28506 -89.02637 2.25869 1.81595 -88.98628 396.99178
1350.0000 -90.80762 -89.47140 1.33622 1.81009 -89.05128 397.36554
1355.0000 -90.21298 -88.47065 1.74233 1.81567 -88.98933 381.35597
1360.0000 -90.11039 -88.31050 1.79990 1.86378 -88.45514 443.18713
1365.0000 -90.21893 -88.50997 1.70895 1.87256 -88.35763 438.74641
1370.0000 -90.30311 -87.85507 2.44804 1.91421 -87.89520 485.76120
1375.0000 -90.48570 -88.51975 1.96594 1.88772 -88.18927 452.99404
1380.0000 -90.17994 -87.78354 2.39640 1.87625 -88.31668 444.67327
1385.0000 -90.01245 -87.69397 2.31848 1.91292 -87.90955 484.85226
1390.0000 -90.57474 -88.84333 1.73141 1.88434 -88.22690 447.96137
1395.0000 -90.38840 -88.25238 2.13602 1.88102 -88.26371 444.95410
1400.0000 -91.27110 -89.09594 2.17515 1.83377 -88.78834 420.41786
1405.0000 -90.67690 -88.58811 2.08880 1.81310 -89.01787 406.83376
1410.0000 -91.13237 -89.12849 2.00388 1.81216 -89.02827 401.39138
1415.0000 -90.23671 -87.98521 2.25150 1.89872 -88.06721 460.59533
1420.0000 -90.23027 -88.16161 2.06866 1.88645 -88.20337 490.02188
1425.0000 -91.24449 -89.31115 1.93333 1.83519 -88.77255 421.22183
1430.0000 -90.87253 -89.20809 1.66444 1.78577 -89.32133 362.15513
1435.0000 -91.14535 -89.65972 1.48563 1.78822 -89.29419 370.09159
1440.0000 -90.34162 -88.47662 1.86500 1.82087 -88.93163 404.67274
1445.0000 -91.00277 -88.31424 2.68853 1.86016 -88.49528 445.88840
1450.0000 -90.34816 -88.16230 2.18586 1.90415 -88.00687 499.17271
1455.0000 -90.09409 -87.80430 2.28979 1.89925 -88.06133 454.85313
1460.0000 -90.32283 -87.65782 2.66500 1.91255 -87.91361 470.49922
1465.0000 -90.50027 -88.23453 2.26573 1.89446 -88.11448 476.19716
1470.0000 -90.68550 -88.31991 2.36560 1.89099 -88.15301 467.59398
1475.0000 -90.98055 -88.95417 2.02638 1.86930 -88.39383 454.23396
1480.0000 -91.14066 -89.37947 1.76120 1.79681 -89.19879 391.40457
1485.0000 -90.29590 -88.54653 1.74937 1.81202 -89.02984 400.90135
1490.0000 -90.61144 -88.67526 1.93618 1.85768 -88.52283 428.32582
1495.0000 -90.38500 -88.56121 1.82380 1.84388 -88.67608 412.91137
1500.0000 -91.01156 -89.07951 1.93204 1.84162 -88.70124 409.93577
MELTING PROCESS: loop number 7 T-loop= 458.00000000000000
main_MD> interactions number 7 at Temperature= 458.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.47973 -0.87808 -0.82034
force_rgl> df(natom) 0.95443 -0.68824 -0.04218
1505.0000 -90.55481 -88.15660 2.39820 1.83599 -88.76372 415.09142
1510.0000 -90.60455 -88.51827 2.08628 1.86502 -88.44137 439.92995
1515.0000 -90.12261 -88.21315 1.90945 1.86661 -88.42368 436.86924
1520.0000 -90.47258 -88.79802 1.67456 1.82229 -88.91580 397.11980
1525.0000 -90.57078 -88.89873 1.67205 1.86116 -88.48421 443.04778
1530.0000 -90.68173 -88.12922 2.55251 1.85552 -88.54685 439.12312
1535.0000 -90.77190 -88.30459 2.46730 1.88380 -88.23288 486.66699
1540.0000 -90.00630 -87.98284 2.02346 1.90659 -87.97978 479.60059
1545.0000 -90.63229 -88.23234 2.39996 1.87426 -88.33873 436.10043
1550.0000 -89.65452 -87.63556 2.01896 1.93743 -87.63738 472.94467
1555.0000 -90.19756 -88.34914 1.84841 1.94735 -87.52718 505.77128
1560.0000 -90.25470 -88.25646 1.99825 1.87280 -88.35497 430.35883
1565.0000 -90.48509 -88.17470 2.31039 1.87666 -88.31207 448.06388
1570.0000 -90.46384 -87.87285 2.59099 1.92375 -87.78924 502.34681
1575.0000 -90.09506 -87.71675 2.37831 1.91065 -87.93467 468.07754
1580.0000 -90.27388 -87.79435 2.47953 1.92401 -87.78634 495.06717
1585.0000 -90.09655 -88.21829 1.87826 1.89295 -88.13129 460.91611
1590.0000 -89.81939 -87.48676 2.33263 1.90048 -88.04764 482.86388
1595.0000 -90.73440 -88.44812 2.28628 1.90701 -87.97508 498.92977
1600.0000 -90.23619 -88.57568 1.66051 1.84433 -88.67113 429.54758
1605.0000 -90.35696 -88.08033 2.27663 1.84596 -88.65300 427.43182
1610.0000 -90.63888 -88.02399 2.61489 1.89464 -88.11251 471.25400
1615.0000 -90.11378 -87.40887 2.70491 1.93577 -87.65575 518.74311
1620.0000 -89.94480 -87.74560 2.19920 1.93055 -87.71374 500.51985
1625.0000 -89.70340 -87.28538 2.41802 1.92177 -87.81119 483.98830
1630.0000 -89.85463 -87.15695 2.69768 1.96710 -87.30791 531.85739
1635.0000 -90.36731 -88.10558 2.26174 1.93853 -87.62514 509.03363
1640.0000 -90.32904 -87.79819 2.53086 1.91318 -87.90658 510.43115
1645.0000 -90.88743 -88.35693 2.53050 1.91313 -87.90721 484.73541
1650.0000 -90.80327 -89.03702 1.76625 1.83826 -88.73845 414.92889
1655.0000 -90.90143 -88.86872 2.03271 1.80769 -89.07797 400.08371
1660.0000 -90.59099 -88.69165 1.89934 1.82840 -88.84801 412.99242
1665.0000 -90.25508 -87.92423 2.33085 1.85794 -88.51995 435.84175
1670.0000 -90.94897 -88.80878 2.14020 1.86250 -88.46931 429.42905
1675.0000 -90.86463 -88.72707 2.13756 1.82668 -88.86712 410.75608
1680.0000 -90.67220 -88.52152 2.15068 1.82519 -88.88366 410.92608
1685.0000 -90.55447 -88.56908 1.98539 1.84840 -88.62596 434.05605
1690.0000 -90.80618 -88.63881 2.16737 1.83729 -88.74930 423.51301
1695.0000 -90.67641 -88.87605 1.80036 1.84959 -88.61273 460.89461
1700.0000 -90.64352 -88.63093 2.01259 1.83422 -88.78339 430.98804
1705.0000 -90.93422 -88.77088 2.16334 1.83533 -88.77109 420.91090
1710.0000 -90.66379 -88.67092 1.99287 1.85765 -88.52324 438.36621
1715.0000 -90.71773 -88.58773 2.13000 1.84148 -88.70274 441.86956
1720.0000 -90.84053 -88.96236 1.87817 1.84652 -88.64682 440.08788
1725.0000 -90.85059 -89.06843 1.78215 1.82875 -88.84411 426.45628
1730.0000 -90.41175 -88.45605 1.95570 1.83015 -88.82861 429.31728
1735.0000 -90.43154 -88.22956 2.20199 1.89161 -88.14615 497.74941
1740.0000 -90.69683 -88.52974 2.16709 1.83932 -88.72670 443.03662
1745.0000 -90.43432 -88.25372 2.18060 1.87330 -88.34947 457.26151
1750.0000 -90.43011 -88.73719 1.69292 1.87553 -88.32469 464.38610
MELTING PROCESS: loop number 8 T-loop= 483.00000000000000
main_MD> interactions number 8 at Temperature= 483.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.34457 -4.20175 2.79143
force_rgl> df(natom) 0.18176 -2.62319 1.69440
1755.0000 -90.95251 -88.48426 2.46825 1.85098 -88.59729 446.38587
1760.0000 -90.79575 -88.43133 2.36441 1.85018 -88.60612 454.81830
1765.0000 -90.12050 -88.15304 1.96746 1.88432 -88.22711 444.08145
1770.0000 -90.22251 -87.63114 2.59137 1.92579 -87.76661 484.36721
1775.0000 -90.74421 -88.18206 2.56215 1.91558 -87.87996 484.44497
1780.0000 -90.18469 -87.84549 2.33920 1.89561 -88.10173 487.24401
1785.0000 -90.30371 -87.64637 2.65734 1.91718 -87.86216 500.59358
1790.0000 -89.58013 -86.98872 2.59141 1.97448 -87.22594 557.09157
1795.0000 -90.83794 -88.71583 2.12211 1.92790 -87.74318 510.15468
1800.0000 -91.01420 -88.58074 2.43346 1.85899 -88.50835 454.52855
1805.0000 -90.42997 -87.44086 2.98911 1.90619 -87.98419 505.28063
1810.0000 -90.68789 -88.11851 2.56938 1.95360 -87.45775 530.85340
1815.0000 -90.28394 -88.08520 2.19874 1.87379 -88.34402 464.07633
1820.0000 -89.96209 -87.34451 2.61758 1.92814 -87.74056 516.28323
1825.0000 -89.81929 -87.00872 2.81057 1.96516 -87.32946 553.61000
1830.0000 -89.54213 -87.19874 2.34340 1.99892 -86.95459 537.07821
1835.0000 -90.75748 -88.63169 2.12579 1.90153 -88.03598 454.65988
1840.0000 -90.44574 -88.56147 1.88428 1.86025 -88.49431 439.30710
1845.0000 -90.61027 -88.45089 2.15938 1.83498 -88.77491 433.50714
1850.0000 -90.28989 -87.82061 2.46927 1.89957 -88.05778 498.18922
1855.0000 -89.74170 -87.32912 2.41258 1.92851 -87.73636 509.43636
1860.0000 -88.91481 -86.56558 2.34923 1.98621 -87.09567 526.87909
1865.0000 -89.54368 -86.99262 2.55106 2.03531 -86.55057 574.09103
1870.0000 -89.86018 -87.23882 2.62136 1.98077 -87.15614 531.13039
1875.0000 -90.24825 -87.52608 2.72217 1.96959 -87.28028 536.91637
1880.0000 -90.43164 -88.15839 2.27325 1.92437 -87.78240 493.51093
1885.0000 -90.03266 -87.76495 2.26771 1.91339 -87.90430 488.81837
1890.0000 -89.57304 -87.00655 2.56649 1.99529 -86.99495 557.05719
1895.0000 -89.86135 -86.86333 2.99802 2.01332 -86.79473 570.05897
1900.0000 -90.08787 -87.53417 2.55371 1.99681 -86.97806 562.03080
1905.0000 -90.95854 -88.82132 2.13722 1.85470 -88.55592 440.11086
1910.0000 -90.81936 -88.39040 2.42896 1.85212 -88.58465 478.10540
1915.0000 -90.82653 -88.61805 2.20847 1.88869 -88.17860 490.00801
1920.0000 -90.73908 -88.53650 2.20258 1.87347 -88.34755 464.51772
1925.0000 -91.26425 -88.63526 2.62899 1.84199 -88.69712 425.87991
1930.0000 -90.23583 -87.71617 2.51966 1.88370 -88.23396 470.56241
1935.0000 -90.19025 -87.60122 2.58903 1.91461 -87.89077 502.56075
1940.0000 -90.38219 -88.40023 1.98197 1.90664 -87.97925 497.25079
1945.0000 -90.76391 -88.81906 1.94485 1.87986 -88.27663 486.00875
1950.0000 -90.08786 -87.52943 2.55843 1.88142 -88.25926 477.78132
1955.0000 -90.51963 -88.31917 2.20046 1.91105 -87.93025 489.94355
1960.0000 -90.36430 -88.28396 2.08034 1.87445 -88.33669 447.92854
1965.0000 -90.61695 -88.19231 2.42465 1.90290 -88.02073 495.51888
1970.0000 -90.28211 -87.71293 2.56919 1.88687 -88.19872 476.62954
1975.0000 -89.87761 -87.48983 2.38778 1.94023 -87.60630 541.53686
1980.0000 -90.56476 -87.92761 2.63715 1.94065 -87.60156 513.99902
1985.0000 -90.54319 -88.28956 2.25363 1.88173 -88.25580 457.22862
1990.0000 -90.64365 -88.15585 2.48780 1.86751 -88.41372 446.02026
1995.0000 -90.00135 -87.37948 2.62187 1.89980 -88.05522 471.65484
2000.0000 -90.29859 -88.08134 2.21724 1.93103 -87.70845 517.24416
MELTING PROCESS: loop number 9 T-loop= 508.00000000000000
main_MD> interactions number 9 at Temperature= 508.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.47933 -2.43059 1.81107
force_rgl> df(natom) 1.03130 -0.45650 -3.61815
2005.0000 -90.21410 -87.39267 2.82143 1.95754 -87.41404 544.54844
2010.0000 -90.87901 -88.20096 2.67805 1.90178 -88.03322 497.41845
2015.0000 -90.12155 -88.04188 2.07968 1.88526 -88.21659 467.02730
2020.0000 -90.23460 -88.09117 2.14342 1.91341 -87.90405 490.73813
2025.0000 -90.08069 -88.05848 2.02221 1.90316 -88.01792 474.65795
2030.0000 -89.61704 -87.22541 2.39163 1.91117 -87.92897 502.69828
2035.0000 -90.56761 -87.80410 2.76351 1.91740 -87.85972 501.22281
2040.0000 -90.53070 -88.41770 2.11300 1.86422 -88.45026 445.99377
2045.0000 -90.00826 -87.66974 2.33852 1.87264 -88.35681 427.31758
2050.0000 -89.77883 -87.23120 2.54763 1.97064 -87.26857 536.01476
2055.0000 -90.09470 -87.52593 2.56877 1.96055 -87.38060 514.31762
2060.0000 -90.06035 -87.36334 2.69701 1.93614 -87.65167 507.98144
2065.0000 -89.66290 -87.79411 1.86880 1.95204 -87.47513 508.56353
2070.0000 -89.92814 -87.03398 2.89415 1.98637 -87.09399 536.80210
2075.0000 -89.66465 -86.59292 3.07173 2.00444 -86.89334 562.44908
2080.0000 -89.60586 -86.75774 2.84812 2.00729 -86.86165 575.22719
2085.0000 -89.96990 -87.62416 2.34573 1.97442 -87.22665 545.08984
2090.0000 -90.34064 -87.30576 3.03489 1.91106 -87.93017 494.49854
2095.0000 -89.15308 -86.51285 2.64023 2.02614 -86.65236 585.27360
2100.0000 -89.89493 -86.67320 3.22173 2.04089 -86.48856 574.72660
2105.0000 -89.54452 -86.90048 2.64404 2.01874 -86.73448 584.28462
2110.0000 -90.06772 -87.11853 2.94920 1.95058 -87.49131 515.65804
2115.0000 -89.52370 -86.90602 2.61768 2.01866 -86.73542 581.59373
2120.0000 -89.83942 -86.68195 3.15747 2.01041 -86.82704 569.21410
2125.0000 -90.55074 -87.82424 2.72650 1.92974 -87.72271 522.39448
2130.0000 -90.33891 -88.42026 1.91865 1.92241 -87.80410 521.31213
2135.0000 -90.95446 -88.80214 2.15232 1.85833 -88.51571 440.56522
2140.0000 -91.03577 -88.53189 2.50388 1.86836 -88.40430 464.16617
2145.0000 -90.24681 -88.26992 1.97689 1.86138 -88.48175 438.19037
2150.0000 -89.65289 -87.39896 2.25392 1.92346 -87.79248 487.44180
2155.0000 -90.01024 -87.21568 2.79456 1.97144 -87.25972 558.04889
2160.0000 -89.52655 -86.67724 2.84931 2.00297 -86.90957 571.34991
2165.0000 -90.43747 -87.08720 3.35027 2.00300 -86.90928 568.44289
2170.0000 -89.96580 -88.04026 1.92554 1.95461 -87.44659 522.14986
2175.0000 -90.54876 -88.33931 2.20944 1.91226 -87.91682 483.88620
2180.0000 -90.87446 -88.52884 2.34562 1.90258 -88.02429 468.03798
2185.0000 -89.90119 -88.12097 1.78022 1.84647 -88.64736 405.71552
2190.0000 -90.65563 -88.36125 2.29438 1.88055 -88.26892 455.36747
2195.0000 -90.64671 -88.23375 2.41296 1.86907 -88.39636 463.10885
2200.0000 -90.05758 -87.61620 2.44138 1.91456 -87.89125 493.94368
2205.0000 -89.70841 -87.43872 2.26969 1.94048 -87.60348 510.71374
2210.0000 -89.96804 -87.31412 2.65391 1.92048 -87.82556 492.80286
2215.0000 -90.31494 -88.26117 2.05377 1.92502 -87.77517 497.47987
2220.0000 -89.72324 -87.29553 2.42771 1.94246 -87.58153 512.39398
2225.0000 -90.56408 -88.04293 2.52115 1.92829 -87.73881 522.18739
2230.0000 -90.34917 -87.53717 2.81200 1.91617 -87.87341 490.39466
2235.0000 -90.01414 -86.75811 3.25603 1.97929 -87.17252 552.02918
2240.0000 -89.90981 -87.35106 2.55875 2.00792 -86.85461 579.56004
2245.0000 -90.13895 -86.97570 3.16324 1.98182 -87.14451 584.65431
2250.0000 -90.28250 -88.08705 2.19545 1.92704 -87.75276 522.44132
MELTING PROCESS: loop number 10 T-loop= 533.00000000000000
main_MD> interactions number 10 at Temperature= 533.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.41962 2.99243 -0.03242
force_rgl> df(natom) -1.06701 -1.65523 0.83199
2255.0000 -90.64848 -88.64805 2.00043 1.88222 -88.25036 473.82043
2260.0000 -90.40472 -87.97779 2.42693 1.89009 -88.16300 465.30777
2265.0000 -90.19020 -87.76460 2.42560 1.92588 -87.76557 503.98356
2270.0000 -89.87675 -87.31207 2.56467 1.94383 -87.56628 482.60325
2275.0000 -90.28666 -88.12595 2.16071 1.92108 -87.81894 494.36045
2280.0000 -90.65983 -88.66127 1.99856 1.88151 -88.25828 468.22964
2285.0000 -89.76275 -87.73005 2.03269 1.90222 -88.02829 476.91558
2290.0000 -90.61379 -88.09729 2.51649 1.93644 -87.64838 495.25646
2295.0000 -90.30047 -87.92935 2.37112 1.90727 -87.97222 469.09627
2300.0000 -90.36188 -87.75302 2.60886 1.93540 -87.65989 507.81821
2305.0000 -90.25106 -88.14168 2.10938 1.91085 -87.93244 481.70893
2310.0000 -90.43547 -87.97846 2.45701 1.93329 -87.68331 525.81055
2315.0000 -89.81896 -87.51678 2.30218 1.90641 -87.98181 489.97851
2320.0000 -90.15088 -87.71477 2.43611 1.95474 -87.44518 534.65147
2325.0000 -89.96916 -87.27192 2.69724 1.95264 -87.46844 525.57547
2330.0000 -89.39879 -87.13133 2.26746 1.95910 -87.39678 540.30209
2335.0000 -90.26609 -88.26837 1.99772 1.96890 -87.28789 561.99346
2340.0000 -90.95475 -88.55677 2.39798 1.89062 -88.15711 477.12660
2345.0000 -90.46612 -88.09047 2.37565 1.90323 -88.01705 476.51961
2350.0000 -90.43199 -88.15002 2.28197 1.88830 -88.18286 481.99308
2355.0000 -90.19837 -87.36781 2.83057 1.90444 -88.00371 475.26633
2360.0000 -88.75251 -86.20418 2.54832 2.04967 -86.39110 592.70686
2365.0000 -90.45923 -87.57244 2.88679 1.99882 -86.95573 573.80453
2370.0000 -89.73861 -86.71641 3.02220 1.94143 -87.59294 531.78328
2375.0000 -89.09616 -86.43592 2.66023 2.02099 -86.70957 610.47548
2380.0000 -89.72627 -87.49193 2.23433 1.97826 -87.18404 553.70135
2385.0000 -89.65322 -87.01554 2.63768 1.95988 -87.38807 524.79898
2390.0000 -89.59298 -86.76962 2.82336 2.01505 -86.77554 594.30308
2395.0000 -89.31109 -87.10026 2.21083 2.00466 -86.89089 559.75783
2400.0000 -89.82636 -86.87872 2.94764 1.96499 -87.33132 548.67437
2405.0000 -89.52532 -87.23576 2.28956 2.03538 -86.54969 616.10916
2410.0000 -89.84331 -86.88310 2.96021 1.96224 -87.36183 533.17695
2415.0000 -90.92488 -87.92369 3.00119 1.94062 -87.60196 527.03868
2420.0000 -90.21914 -87.58613 2.63301 1.95127 -87.48368 532.30687
2425.0000 -89.80112 -87.09306 2.70806 1.96709 -87.30803 559.46590
2430.0000 -90.61381 -87.85322 2.76059 1.94643 -87.53741 549.54818
2435.0000 -89.41033 -86.47701 2.93332 1.95939 -87.39347 540.03442
2440.0000 -90.12371 -86.66110 3.46261 2.02540 -86.66052 572.65201
2445.0000 -89.78087 -87.43870 2.34217 1.99423 -87.00669 570.48802
2450.0000 -90.47622 -88.03100 2.44523 1.93585 -87.65486 510.75411
2455.0000 -90.08071 -87.96025 2.12046 1.91686 -87.86571 502.79135
2460.0000 -89.94285 -87.39777 2.54508 1.92565 -87.76818 491.52509
2465.0000 -89.86462 -87.18894 2.67568 1.95671 -87.42324 504.83261
2470.0000 -89.59378 -86.93470 2.65908 2.01334 -86.79447 600.90166
2475.0000 -89.59583 -87.19749 2.39834 1.96887 -87.28828 560.79009
2480.0000 -89.49245 -86.84070 2.65175 2.00125 -86.92867 571.33356
2485.0000 -90.00730 -87.47156 2.53573 1.95105 -87.48615 515.61186
2490.0000 -89.16201 -86.59720 2.56481 1.99429 -87.00601 533.50667
2495.0000 -89.44919 -86.68435 2.76484 2.03533 -86.55026 568.24156
2500.0000 -90.45107 -87.78603 2.66504 1.96586 -87.32171 516.50731
MELTING PROCESS: loop number 11 T-loop= 558.00000000000000
main_MD> interactions number 11 at Temperature= 558.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00742 -1.64645 1.31758
force_rgl> df(natom) -0.51644 0.62379 -0.29230
2505.0000 -89.69821 -87.19584 2.50237 1.93387 -87.67684 529.56107
2510.0000 -88.93228 -86.82553 2.10675 1.99700 -86.97591 544.45457
2515.0000 -88.71379 -85.95129 2.76249 2.03682 -86.53380 583.14719
2520.0000 -89.60930 -86.90694 2.70236 2.01790 -86.74387 587.88718
2525.0000 -88.77359 -86.18283 2.59076 1.98917 -87.06285 567.37335
2530.0000 -89.24688 -86.77619 2.47068 2.07785 -86.07817 622.86983
2535.0000 -90.65195 -87.89663 2.75532 1.94717 -87.52916 517.37915
2540.0000 -89.58807 -87.22810 2.35997 1.96804 -87.29748 548.25794
2545.0000 -89.91353 -87.51159 2.40194 1.95561 -87.43554 514.64004
2550.0000 -89.00078 -86.74423 2.25655 1.97520 -87.21798 559.67046
2555.0000 -89.38659 -86.45794 2.92865 2.02430 -86.67274 597.57354
2560.0000 -89.97489 -87.39897 2.57592 1.98130 -87.15021 555.51541
2565.0000 -89.53741 -86.88002 2.65739 2.02003 -86.72019 597.70494
2570.0000 -89.95932 -87.03427 2.92505 2.01869 -86.73507 606.53882
2575.0000 -90.24561 -88.11290 2.13270 1.95473 -87.44527 529.53519
2580.0000 -89.84396 -87.43585 2.40812 1.92260 -87.80206 500.79694
2585.0000 -89.13560 -85.92555 3.21005 2.01142 -86.81584 574.36998
2590.0000 -88.98511 -86.40783 2.57728 2.06351 -86.23735 648.06459
2595.0000 -89.34067 -86.45482 2.88586 2.00282 -86.91133 544.54480
2600.0000 -89.49199 -86.27028 3.22171 2.07410 -86.11986 629.14968
2605.0000 -90.01367 -86.83033 3.18333 2.01246 -86.80419 574.34132
2610.0000 -89.74272 -86.64306 3.09966 2.03597 -86.54323 610.42600
2615.0000 -90.02434 -87.23955 2.78479 2.02662 -86.64698 560.81858
2620.0000 -89.23190 -86.41127 2.82063 2.00252 -86.91463 557.00857
2625.0000 -89.32160 -86.05893 3.26267 2.05061 -86.38064 587.36674
2630.0000 -89.88309 -87.30751 2.57558 1.99352 -87.01456 571.57577
2635.0000 -90.07982 -87.84196 2.23786 1.92938 -87.72670 491.06220
2640.0000 -90.24421 -87.89022 2.35399 1.92505 -87.77477 502.21006
2645.0000 -90.16776 -87.89946 2.26830 1.93153 -87.70287 496.37023
2650.0000 -89.79075 -87.24021 2.55054 1.97478 -87.22258 564.72579
2655.0000 -89.99612 -87.62345 2.37267 1.96476 -87.33389 530.26004
2660.0000 -89.77892 -87.26344 2.51548 1.95904 -87.39738 542.86221
2665.0000 -89.18525 -86.85134 2.33391 2.00020 -86.94038 582.33078
2670.0000 -89.62995 -87.26582 2.36413 1.98587 -87.09953 532.02470
2675.0000 -89.61155 -86.85596 2.75559 1.98195 -87.14305 522.93581
2680.0000 -89.53145 -87.04892 2.48253 1.95848 -87.40363 541.88350
2685.0000 -90.17348 -87.69260 2.48088 1.97476 -87.22290 555.29894
2690.0000 -89.88513 -87.82135 2.06378 1.89748 -88.08094 486.79710
2695.0000 -88.92883 -87.01550 1.91333 1.97302 -87.24213 531.13725
2700.0000 -89.92984 -87.35267 2.57717 1.93485 -87.66595 493.83031
2705.0000 -89.38447 -86.64099 2.74347 2.00259 -86.91384 581.12142
2710.0000 -89.38664 -86.73468 2.65196 2.00966 -86.83536 569.37156
2715.0000 -89.74104 -87.47706 2.26398 1.99664 -86.97989 525.99325
2720.0000 -89.70410 -86.65007 3.05402 1.98454 -87.11425 525.49908
2725.0000 -89.84843 -86.64134 3.20709 2.06324 -86.24040 632.09424
2730.0000 -89.98811 -87.48913 2.49897 2.02669 -86.64620 596.75970
2735.0000 -89.62744 -86.53999 3.08745 2.00122 -86.92902 606.89464
2740.0000 -89.27151 -87.06142 2.21009 2.00437 -86.89410 581.64491
2745.0000 -90.40292 -88.12591 2.27701 1.92362 -87.79071 503.53223
2750.0000 -89.85765 -87.32875 2.52890 1.95724 -87.41743 530.78068
MELTING PROCESS: loop number 12 T-loop= 583.00000000000000
main_MD> interactions number 12 at Temperature= 583.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.70979 -2.51601 0.41393
force_rgl> df(natom) -7.36518 0.82032 2.35677
2755.0000 -89.97872 -87.07168 2.90704 2.00875 -86.84548 573.35374
2760.0000 -89.95858 -86.92092 3.03766 1.99420 -87.00696 574.85573
2765.0000 -89.07715 -86.26797 2.80917 2.03758 -86.52533 613.18047
2770.0000 -89.58647 -86.44531 3.14116 2.03857 -86.51434 592.64201
2775.0000 -89.50485 -86.60544 2.89941 2.03553 -86.54807 568.81831
2780.0000 -90.37467 -87.19674 3.17792 2.00148 -86.92615 536.02356
2785.0000 -89.75793 -86.84628 2.91164 1.99804 -86.96435 569.28247
2790.0000 -90.08750 -86.48534 3.60216 2.01332 -86.79467 572.34061
2795.0000 -89.64984 -86.69263 2.95722 2.05935 -86.28364 624.97502
2800.0000 -89.49755 -86.58566 2.91188 2.03888 -86.51088 599.08436
2805.0000 -89.68796 -86.11155 3.57641 2.09422 -85.89641 652.38602
2810.0000 -88.61982 -85.76314 2.85668 2.10271 -85.80218 666.10553
2815.0000 -89.96366 -87.26541 2.69826 2.03934 -86.50577 620.42157
2820.0000 -89.39458 -87.17199 2.22258 1.99754 -86.96989 565.80209
2825.0000 -88.98008 -86.38121 2.59887 2.05123 -86.37377 614.66437
2830.0000 -88.54268 -84.90256 3.64012 2.09369 -85.90226 612.54703
2835.0000 -89.47555 -86.40583 3.06972 2.06971 -86.16857 610.00957
2840.0000 -89.99938 -86.88572 3.11366 2.02080 -86.71159 615.30577
2845.0000 -88.66381 -86.59476 2.06905 1.99667 -86.97957 559.00282
2850.0000 -89.75210 -87.30619 2.44591 2.00173 -86.92335 588.76789
2855.0000 -90.32535 -87.97259 2.35276 1.96980 -87.27797 542.80266
2860.0000 -90.02244 -87.17459 2.84785 1.93111 -87.70754 496.64704
2865.0000 -89.52636 -87.02136 2.50499 1.97745 -87.19296 533.89629
2870.0000 -89.59929 -87.44770 2.15159 2.00748 -86.85959 571.94043
2875.0000 -90.80056 -88.02619 2.77437 1.93496 -87.66479 540.16916
2880.0000 -90.10555 -88.01966 2.08588 1.89860 -88.06853 488.67674
2885.0000 -89.16331 -87.07419 2.08912 1.96323 -87.35092 523.80377
2890.0000 -89.70214 -86.69347 3.00868 1.99763 -86.96895 570.82439
2895.0000 -89.53090 -86.72967 2.80123 2.02203 -86.69803 594.95832
2900.0000 -89.47992 -86.89249 2.58743 2.02217 -86.69641 586.32495
2905.0000 -89.67657 -86.15012 3.52646 2.01807 -86.74200 604.38993
2910.0000 -90.16021 -86.76266 3.39755 2.03727 -86.52873 632.41450
2915.0000 -89.92782 -87.49824 2.42959 1.99371 -87.01242 582.22158
2920.0000 -89.30569 -86.96133 2.34435 1.98474 -87.11205 573.24630
2925.0000 -89.66304 -86.94723 2.71581 1.99607 -86.98625 558.71114
2930.0000 -89.03312 -86.66569 2.36743 1.99244 -87.02650 554.06151
2935.0000 -89.70611 -87.27097 2.43514 1.99374 -87.01213 552.43575
2940.0000 -90.01043 -87.00344 3.00699 1.95300 -87.46451 528.49034
2945.0000 -90.29131 -87.55825 2.73306 1.98009 -87.16367 560.37581
2950.0000 -89.35612 -86.73065 2.62547 1.99437 -87.00506 581.75373
2955.0000 -89.63096 -87.48405 2.14691 2.00784 -86.85552 575.87276
2960.0000 -90.03813 -86.81772 3.22041 1.96596 -87.32055 524.94812
2965.0000 -89.08826 -86.26264 2.82562 2.01466 -86.77982 554.91277
2970.0000 -90.03630 -86.98775 3.04855 2.03578 -86.54525 600.58918
2975.0000 -89.79039 -87.33703 2.45336 1.96755 -87.30295 519.08639
2980.0000 -90.02761 -86.73462 3.29299 1.97508 -87.21927 550.45008
2985.0000 -89.91761 -86.75388 3.16373 2.01195 -86.80986 566.33039
2990.0000 -89.48773 -86.80954 2.67819 2.00400 -86.89821 572.05618
2995.0000 -89.80915 -87.85354 1.95561 1.97755 -87.19185 547.39145
3000.0000 -90.27204 -87.48609 2.78596 1.97240 -87.24901 535.32898
MELTING PROCESS: loop number 13 T-loop= 608.00000000000000
main_MD> interactions number 13 at Temperature= 608.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.63165 -0.28990 -0.66643
force_rgl> df(natom) -1.03453 1.94151 -1.45620
3005.0000 -89.16275 -86.54620 2.61655 2.02678 -86.64523 593.60002
3010.0000 -89.79296 -87.07034 2.72262 2.03463 -86.55810 567.62744
3015.0000 -89.16952 -86.54801 2.62151 2.01626 -86.76200 578.19399
3020.0000 -89.30730 -86.65400 2.65330 2.04909 -86.39749 572.25166
3025.0000 -89.72711 -86.53283 3.19428 2.02937 -86.61644 592.38620
3030.0000 -88.93483 -86.42201 2.51282 2.04176 -86.47885 600.44389
3035.0000 -90.32574 -87.56144 2.76431 1.98956 -87.05850 561.46565
3040.0000 -89.91017 -87.37193 2.53823 1.95913 -87.39636 557.83360
3045.0000 -89.78319 -86.75196 3.03123 2.03856 -86.51444 618.80793
3050.0000 -89.05931 -86.23748 2.82183 2.03520 -86.55177 595.60062
3055.0000 -88.85941 -86.27297 2.58644 2.07115 -86.15258 623.29324
3060.0000 -89.20781 -86.44835 2.75945 2.06208 -86.25323 653.50003
3065.0000 -89.59813 -86.22789 3.37024 2.08223 -86.02956 661.41502
3070.0000 -89.30141 -86.15820 3.14321 2.06204 -86.25374 633.09642
3075.0000 -88.89463 -86.24417 2.65046 2.06817 -86.18570 622.50012
3080.0000 -90.02690 -86.62435 3.40255 2.04369 -86.45750 608.56252
3085.0000 -89.53121 -86.46781 3.06340 2.02459 -86.66956 596.63219
3090.0000 -89.50724 -86.33788 3.16936 2.05168 -86.36878 640.69759
3095.0000 -89.86218 -86.88297 2.97922 2.03528 -86.55081 598.18415
3100.0000 -90.02198 -87.16691 2.85507 2.01225 -86.80658 605.56818
3105.0000 -89.67610 -86.66018 3.01592 1.99462 -87.00236 545.82373
3110.0000 -89.27234 -86.24917 3.02317 2.07436 -86.11689 655.33782
3115.0000 -88.90384 -85.50408 3.39977 2.08207 -86.03133 645.40296
3120.0000 -88.81631 -86.21038 2.60593 2.09136 -85.92814 654.23315
3125.0000 -89.01603 -86.57131 2.44472 2.03992 -86.49938 582.81663
3130.0000 -89.64807 -86.12116 3.52691 2.07464 -86.11383 603.04890
3135.0000 -89.73276 -86.49492 3.23785 2.08933 -85.95065 622.96740
3140.0000 -90.00660 -86.29937 3.70723 2.07534 -86.10600 636.96265
3145.0000 -89.17232 -86.67364 2.49867 2.03172 -86.59041 612.79305
3150.0000 -89.89202 -87.33519 2.55682 2.00833 -86.85012 585.78082
3155.0000 -90.22967 -87.34500 2.88467 1.97962 -87.16889 566.40264
3160.0000 -89.18018 -86.53264 2.64754 2.02226 -86.69537 602.98555
3165.0000 -89.86581 -86.61646 3.24935 2.04520 -86.44070 605.13166
3170.0000 -89.21342 -86.63334 2.58008 2.00894 -86.84337 569.05696
3175.0000 -89.03551 -86.52484 2.51067 2.00539 -86.88278 555.35821
3180.0000 -88.55972 -85.29131 3.26841 2.11012 -85.71983 667.62318
3185.0000 -88.19468 -85.03159 3.16309 2.12769 -85.52475 680.51898
3190.0000 -88.51026 -85.85065 2.65961 2.11736 -85.63951 659.51423
3195.0000 -88.93329 -86.13738 2.79590 2.07874 -86.06828 636.84759
3200.0000 -89.28595 -85.83613 3.44983 2.07656 -86.09252 623.84769
3205.0000 -88.36444 -86.05886 2.30558 2.09172 -85.92421 634.39660
3210.0000 -89.78163 -86.62637 3.15526 2.05335 -86.35022 618.07245
3215.0000 -89.73295 -86.82549 2.90746 2.04101 -86.48722 607.64371
3220.0000 -90.05531 -86.47802 3.57729 2.04819 -86.40749 628.09469
3225.0000 -89.70264 -86.12634 3.57629 2.02596 -86.65434 600.36755
3230.0000 -89.20617 -86.76826 2.43791 2.04940 -86.39403 617.40538
3235.0000 -88.60672 -86.16351 2.44321 2.01862 -86.73589 574.76741
3240.0000 -89.24854 -85.84549 3.40305 2.08256 -86.02593 609.58696
3245.0000 -89.40913 -86.56046 2.84867 2.03984 -86.50025 576.97615
3250.0000 -89.13912 -86.21309 2.92603 2.07311 -86.13083 618.89050
MELTING PROCESS: loop number 14 T-loop= 633.00000000000000
main_MD> interactions number 14 at Temperature= 633.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.55730 -0.93035 -1.55625
force_rgl> df(natom) -1.85512 -0.89997 -2.34734
3255.0000 -88.20347 -85.22467 2.97880 2.11263 -85.69198 661.86957
3260.0000 -89.27770 -85.95412 3.32358 2.10255 -85.80393 652.87306
3265.0000 -89.27203 -86.89045 2.38158 2.05144 -86.37142 594.12317
3270.0000 -88.98475 -86.11903 2.86572 2.04970 -86.39077 588.46678
3275.0000 -88.85786 -85.88027 2.97759 2.12656 -85.53733 685.73192
3280.0000 -89.20955 -86.09479 3.11476 2.11091 -85.71112 674.21188
3285.0000 -89.45369 -85.97707 3.47662 2.07511 -86.10856 633.71775
3290.0000 -89.27883 -86.47394 2.80489 2.08820 -85.96323 678.11947
3295.0000 -88.39320 -85.24813 3.14507 2.09247 -85.91585 664.45349
3300.0000 -89.62333 -86.93467 2.68866 2.14367 -85.34732 707.46597
3305.0000 -89.19071 -86.69958 2.49113 2.02372 -86.67922 587.96681
3310.0000 -89.14123 -85.90959 3.23164 2.02417 -86.67426 589.19878
3315.0000 -87.96369 -84.35869 3.60501 2.14113 -85.37552 689.58337
3320.0000 -88.05808 -84.20103 3.85704 2.23366 -84.34808 745.77874
3325.0000 -89.36182 -86.01338 3.34845 2.16786 -85.07869 718.47071
3330.0000 -89.70573 -86.33438 3.37135 2.04861 -86.40284 633.90983
3335.0000 -88.63378 -85.53610 3.09768 2.06235 -86.25023 644.93471
3340.0000 -88.25714 -85.72059 2.53655 2.10197 -85.81039 656.46795
3345.0000 -88.21553 -85.01039 3.20514 2.15491 -85.22248 713.50896
3350.0000 -87.96431 -84.81318 3.15112 2.16561 -85.10369 682.73517
3355.0000 -89.42922 -86.59206 2.83716 2.09608 -85.87578 664.45312
3360.0000 -88.80540 -86.63260 2.17280 2.05048 -86.38210 622.24181
3365.0000 -89.34847 -86.30886 3.03961 2.03101 -86.59831 566.19722
3370.0000 -88.80090 -86.27786 2.52304 2.08591 -85.98871 625.14067
3375.0000 -89.84177 -87.00494 2.83684 2.01517 -86.77417 556.12238
3380.0000 -89.19865 -86.50474 2.69390 1.98700 -87.08694 577.97165
3385.0000 -89.22549 -85.30434 3.92115 2.10770 -85.74677 666.76922
3390.0000 -89.46805 -87.06396 2.40410 2.05359 -86.34753 614.20050
3395.0000 -89.91702 -87.34253 2.57448 1.98705 -87.08635 547.94321
3400.0000 -88.77781 -86.40968 2.36813 1.99232 -87.02786 565.73457
3405.0000 -89.53172 -86.51476 3.01696 2.03499 -86.55410 610.14091
3410.0000 -89.09328 -86.28602 2.80726 2.09077 -85.93471 656.07218
3415.0000 -89.05593 -85.78842 3.26751 2.06771 -86.19078 614.52110
3420.0000 -89.06347 -86.08031 2.98316 2.10480 -85.77887 687.28758
3425.0000 -88.75488 -86.43579 2.31908 2.06538 -86.21666 635.48090
3430.0000 -88.93582 -86.04183 2.89399 2.03003 -86.60920 590.28373
3435.0000 -88.87082 -85.74692 3.12390 2.09253 -85.91521 624.32417
3440.0000 -89.91080 -86.41779 3.49301 2.06590 -86.21081 639.93353
3445.0000 -89.20185 -86.21779 2.98407 2.06176 -86.25681 621.09942
3450.0000 -89.48283 -86.47898 3.00385 2.06805 -86.18697 636.10321
3455.0000 -89.23694 -85.96808 3.26886 2.10346 -85.79383 672.08296
3460.0000 -88.87916 -85.70432 3.17484 2.08755 -85.97044 666.44057
3465.0000 -87.76472 -84.68585 3.07887 2.16236 -85.13979 676.60752
3470.0000 -88.52220 -85.29670 3.22550 2.15074 -85.26883 699.64067
3475.0000 -89.45278 -86.80560 2.64718 2.05177 -86.36778 614.42237
3480.0000 -88.89025 -86.03687 2.85339 2.03481 -86.55611 606.50649
3485.0000 -88.47816 -86.28456 2.19359 2.08803 -85.96512 667.62793
3490.0000 -89.91046 -86.75648 3.15398 2.03154 -86.59240 594.89185
3495.0000 -89.58749 -86.30550 3.28199 2.04865 -86.40245 625.22161
3500.0000 -88.76367 -85.61387 3.14980 2.06988 -86.16662 621.52509
MELTING PROCESS: loop number 15 T-loop= 658.00000000000000
main_MD> interactions number 15 at Temperature= 658.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.12843 0.48801 -0.10556
force_rgl> df(natom) -1.82293 0.70859 -2.09535
3505.0000 -89.15063 -85.56084 3.58979 2.11358 -85.68143 694.48423
3510.0000 -90.48268 -87.32389 3.15878 2.02661 -86.64708 600.28040
3515.0000 -89.33752 -86.24836 3.08916 2.01436 -86.78318 584.50364
3520.0000 -88.44732 -85.52567 2.92166 2.09786 -85.85594 667.01174
3525.0000 -88.58449 -85.73538 2.84911 2.12170 -85.59127 694.64191
3530.0000 -90.21528 -86.45229 3.76300 2.08254 -86.02612 640.25004
3535.0000 -89.60994 -85.90088 3.70906 2.09941 -85.83875 659.91053
3540.0000 -89.84426 -86.95119 2.89307 2.03309 -86.57513 624.89393
3545.0000 -88.66556 -85.84939 2.81617 2.05257 -86.35887 606.29355
3550.0000 -90.22148 -87.45142 2.77006 2.04294 -86.46583 590.25801
3555.0000 -88.40246 -85.99171 2.41075 2.03835 -86.51671 624.06023
3560.0000 -89.39030 -85.98480 3.40549 2.09268 -85.91346 667.92142
3565.0000 -89.00341 -86.25244 2.75097 2.06208 -86.25331 623.13259
3570.0000 -89.51991 -85.99145 3.52846 2.09520 -85.88554 645.56576
3575.0000 -89.84307 -86.86045 2.98262 2.04896 -86.39895 617.72749
3580.0000 -89.40054 -85.27415 4.12639 2.03140 -86.59394 596.76064
3585.0000 -88.70566 -85.62253 3.08313 2.13233 -85.47322 678.24866
3590.0000 -88.86359 -86.04887 2.81472 2.10690 -85.75562 650.93088
3595.0000 -88.80231 -86.08090 2.72141 2.11964 -85.61418 654.85500
3600.0000 -88.39291 -84.94477 3.44815 2.09465 -85.89158 650.04437
3605.0000 -89.77063 -86.40100 3.36963 2.11130 -85.70673 667.90082
3610.0000 -89.23559 -86.11535 3.12024 2.04972 -86.39048 580.77418
3615.0000 -88.94526 -85.48184 3.46343 2.11011 -85.71996 650.08989
3620.0000 -89.58170 -87.27242 2.30929 2.03366 -86.56885 623.63586
3625.0000 -89.51803 -87.09823 2.41981 1.96781 -87.30002 552.45618
3630.0000 -88.99603 -86.55089 2.44515 2.02685 -86.64449 594.61856
3635.0000 -90.12829 -87.04652 3.08177 2.04224 -86.47363 595.99362
3640.0000 -88.47829 -85.05353 3.42477 2.06599 -86.20986 645.01095
3645.0000 -89.08609 -85.37743 3.70866 2.16532 -85.10693 667.11130
3650.0000 -88.37689 -84.79775 3.57914 2.18904 -84.84358 741.34084
3655.0000 -88.30762 -85.10015 3.20746 2.18101 -84.93277 705.67076
3660.0000 -89.10325 -85.73345 3.36981 2.13070 -85.49138 662.05875
3665.0000 -88.44777 -85.60397 2.84380 2.09642 -85.87203 651.83647
3670.0000 -88.74357 -85.18244 3.56113 2.15516 -85.21980 711.91081
3675.0000 -89.24328 -85.89566 3.34762 2.13527 -85.44064 700.14489
3680.0000 -88.16655 -85.07813 3.08843 2.11713 -85.64207 678.23084
3685.0000 -88.77538 -86.01430 2.76108 2.09191 -85.92200 626.29896
3690.0000 -88.86409 -85.55060 3.31348 2.05124 -86.37370 612.94125
3695.0000 -89.00747 -85.92711 3.08036 2.13461 -85.44790 662.57721
3700.0000 -88.52476 -85.79102 2.73375 2.07586 -86.10025 652.25516
3705.0000 -88.81326 -86.49226 2.32099 2.09507 -85.88693 648.55369
3710.0000 -90.03487 -87.55270 2.48217 2.01562 -86.76914 581.22969
3715.0000 -88.80004 -86.31614 2.48390 2.02145 -86.70439 600.72622
3720.0000 -89.39412 -85.64058 3.75354 2.09779 -85.85681 609.05737
3725.0000 -88.58600 -85.98669 2.59930 2.07655 -86.09262 608.58688
3730.0000 -89.55376 -86.64413 2.90963 2.03706 -86.53110 587.69036
3735.0000 -89.36937 -86.80825 2.56112 2.03228 -86.58414 586.92905
3740.0000 -88.44278 -85.33271 3.11007 2.06017 -86.27448 592.90242
3745.0000 -87.22420 -84.62409 2.60010 2.16236 -85.13976 680.46344
3750.0000 -89.03774 -85.52202 3.51572 2.16912 -85.06469 715.51813
MELTING PROCESS: loop number 16 T-loop= 683.00000000000000
main_MD> interactions number 16 at Temperature= 683.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.79020 0.08865 0.59367
force_rgl> df(natom) -4.54621 2.02080 0.66950
3755.0000 -88.55299 -86.01307 2.53992 2.07928 -86.06225 647.73807
3760.0000 -88.59683 -85.68636 2.91046 2.07771 -86.07975 644.99306
3765.0000 -89.01935 -85.87939 3.13997 2.12167 -85.59159 666.72866
3770.0000 -88.55647 -85.91962 2.63686 2.07815 -86.07484 633.98167
3775.0000 -88.86965 -86.02556 2.84409 2.06184 -86.25595 612.68471
3780.0000 -89.07804 -86.62109 2.45696 2.05636 -86.31684 634.77584
3785.0000 -90.25571 -86.17623 4.07947 2.03340 -86.57169 607.01774
3790.0000 -90.07797 -87.19168 2.88629 2.03852 -86.51494 618.39452
3795.0000 -89.85373 -86.65898 3.19475 2.00358 -86.90285 590.52709
3800.0000 -89.86920 -86.82190 3.04730 2.01260 -86.80271 578.01515
3805.0000 -89.43515 -86.21560 3.21955 2.06446 -86.22689 626.57863
3810.0000 -89.38625 -86.49709 2.88915 2.08365 -86.01377 630.03472
3815.0000 -90.41622 -86.78273 3.63349 2.03949 -86.50412 622.66591
3820.0000 -89.03530 -86.59630 2.43900 1.99422 -87.00678 561.16574
3825.0000 -88.96568 -85.08978 3.87589 2.08986 -85.94486 621.74996
3830.0000 -88.72814 -84.75778 3.97035 2.19570 -84.76964 740.55343
3835.0000 -88.89313 -85.32023 3.57290 2.14437 -85.33958 718.13002
3840.0000 -88.49410 -85.74174 2.75236 2.13050 -85.49355 697.86888
3845.0000 -88.71001 -85.78868 2.92134 2.07814 -86.07501 661.73792
3850.0000 -88.66415 -84.80582 3.85833 2.12177 -85.59047 663.23402
3855.0000 -88.17075 -84.48234 3.68841 2.23676 -84.31367 779.55286
3860.0000 -88.75542 -84.34069 4.41473 2.18199 -84.92186 707.52472
3865.0000 -88.65842 -85.04336 3.61506 2.19728 -84.75204 731.67440
3870.0000 -87.75736 -84.38438 3.37297 2.21982 -84.50175 722.59862
3875.0000 -88.01885 -84.93520 3.08365 2.16162 -85.14802 699.32646
3880.0000 -88.65813 -84.64671 4.01143 2.17669 -84.98074 724.62248
3885.0000 -88.85265 -85.60842 3.24423 2.10818 -85.74144 652.29269
3890.0000 -89.34826 -86.00517 3.34309 2.11182 -85.70096 691.19136
3895.0000 -89.42608 -86.23446 3.19162 2.06280 -86.24531 629.24239
3900.0000 -88.21430 -85.34680 2.86751 2.12360 -85.57021 709.54024
3905.0000 -88.34313 -85.40970 2.93344 2.11778 -85.63475 687.20355
3910.0000 -88.97753 -85.59780 3.37973 2.13616 -85.43066 660.24635
3915.0000 -89.41982 -86.44873 2.97109 2.06358 -86.23665 631.39032
3920.0000 -88.87662 -85.40607 3.47055 2.13183 -85.47881 650.92244
3925.0000 -89.19478 -85.76486 3.42992 2.09082 -85.93421 607.89550
3930.0000 -89.34137 -86.18182 3.15955 2.08486 -86.00029 670.23738
3935.0000 -88.58430 -85.49302 3.09127 2.10861 -85.73665 649.76810
3940.0000 -89.13130 -86.24182 2.88947 2.12203 -85.58766 674.78478
3945.0000 -88.75670 -85.71785 3.03884 2.08293 -86.02178 644.88159
3950.0000 -89.63910 -86.33518 3.30392 2.07365 -86.12479 633.21920
3955.0000 -88.36215 -85.40009 2.96206 2.12560 -85.54802 667.87308
3960.0000 -88.05538 -85.58485 2.47053 2.12194 -85.58857 685.85048
3965.0000 -89.14419 -85.42627 3.71792 2.08340 -86.01659 636.64563
3970.0000 -88.52376 -85.18910 3.33465 2.16907 -85.06530 673.51037
3975.0000 -89.22522 -86.71642 2.50880 2.14569 -85.32494 677.12531
3980.0000 -89.88630 -86.67749 3.20881 2.03651 -86.53721 592.49114
3985.0000 -89.46348 -86.24018 3.22330 2.06007 -86.27554 628.24052
3990.0000 -88.87703 -86.14875 2.72828 2.09506 -85.88711 614.00914
3995.0000 -88.73382 -85.74757 2.98625 2.09626 -85.87374 675.04597
4000.0000 -88.27910 -84.48166 3.79744 2.18245 -84.91669 750.81088
MELTING PROCESS: loop number 17 T-loop= 708.00000000000000
main_MD> interactions number 17 at Temperature= 708.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.86458 2.08919 -0.33874
force_rgl> df(natom) -1.89517 -2.84576 -0.02378
4005.0000 -88.47395 -85.17531 3.29864 2.20744 -84.63919 734.89421
4010.0000 -87.76056 -83.62665 4.13391 2.22304 -84.46608 775.24322
4015.0000 -88.74984 -84.18259 4.56725 2.28825 -83.74199 833.79104
4020.0000 -87.70516 -83.93992 3.76524 2.24927 -84.17479 776.49617
4025.0000 -89.15939 -85.05530 4.10409 2.26540 -83.99569 817.88085
4030.0000 -88.41641 -85.82239 2.59402 2.19011 -84.83162 761.92933
4035.0000 -89.01306 -84.88218 4.13088 2.14474 -85.33547 698.55868
4040.0000 -87.66262 -84.23001 3.43261 2.23669 -84.31450 750.97255
4045.0000 -88.69972 -85.52686 3.17286 2.20769 -84.63650 738.91700
4050.0000 -87.57974 -84.71786 2.86187 2.17142 -85.03917 695.98553
4055.0000 -87.97211 -85.06348 2.90863 2.17146 -85.03875 681.34256
4060.0000 -88.31197 -85.61717 2.69480 2.14892 -85.28903 693.66552
4065.0000 -88.86392 -85.08949 3.77443 2.12141 -85.59451 692.22047
4070.0000 -88.64161 -84.90929 3.73232 2.16452 -85.11586 721.18482
4075.0000 -87.14729 -83.91704 3.23025 2.19872 -84.73603 742.84399
4080.0000 -88.65842 -85.41323 3.24520 2.23239 -84.36215 767.33598
4085.0000 -87.76553 -84.64189 3.12364 2.16407 -85.12080 702.88763
4090.0000 -87.67728 -84.06542 3.61186 2.20093 -84.71158 733.73137
4095.0000 -87.44074 -83.97377 3.46697 2.30866 -83.51530 778.01037
4100.0000 -87.81007 -83.66532 4.14475 2.25386 -84.12380 757.37438
4105.0000 -87.14399 -83.06541 4.07858 2.24399 -84.23341 739.79473
4110.0000 -88.06790 -84.43960 3.62831 2.31404 -83.45560 829.09586
4115.0000 -88.46663 -85.13496 3.33167 2.17465 -85.00329 723.31027
4120.0000 -89.08671 -86.06733 3.01938 2.13694 -85.42207 700.44057
4125.0000 -88.92704 -85.78516 3.14188 2.10426 -85.78488 650.72342
4130.0000 -89.32186 -86.04297 3.27889 2.06855 -86.18141 617.27751
4135.0000 -88.66363 -85.64557 3.01805 2.10205 -85.80941 655.45325
4140.0000 -88.36121 -84.94054 3.42067 2.13650 -85.42698 679.33227
4145.0000 -89.08180 -85.96632 3.11548 2.14308 -85.35388 724.53863
4150.0000 -88.72745 -85.32321 3.40424 2.13239 -85.47259 702.62871
4155.0000 -89.72328 -86.27097 3.45231 2.08132 -86.03966 613.70607
4160.0000 -88.59064 -85.59686 2.99378 2.11629 -85.65133 650.32336
4165.0000 -88.14889 -85.13648 3.01241 2.15075 -85.26874 717.66930
4170.0000 -88.54243 -85.01224 3.53019 2.18254 -84.91572 726.07776
4175.0000 -89.06917 -86.55307 2.51610 2.11226 -85.69610 641.66848
4180.0000 -89.18477 -85.55016 3.63461 2.13073 -85.49101 688.36829
4185.0000 -88.44202 -85.38787 3.05415 2.14265 -85.35866 694.26936
4190.0000 -89.13499 -84.95941 4.17558 2.12827 -85.51829 704.76054
4195.0000 -88.50117 -85.10395 3.39722 2.14582 -85.32344 700.09827
4200.0000 -89.20760 -84.77372 4.43388 2.23125 -84.37482 773.76733
4205.0000 -88.25088 -85.26368 2.98720 2.19225 -84.80791 750.87449
4210.0000 -88.07137 -85.01033 3.06104 2.15001 -85.27690 696.30084
4215.0000 -88.91427 -86.00480 2.90947 2.13166 -85.48073 670.99778
4220.0000 -89.20730 -85.73220 3.47510 2.06082 -86.26732 632.88578
4225.0000 -89.21488 -85.98427 3.23061 2.11112 -85.70871 656.08563
4230.0000 -88.24580 -85.40082 2.84498 2.12641 -85.53895 682.30322
4235.0000 -89.14494 -86.21543 2.92950 2.09731 -85.86212 639.30909
4240.0000 -88.87969 -85.28411 3.59558 2.11538 -85.66140 650.97510
4245.0000 -88.99279 -85.81953 3.17326 2.12139 -85.59470 652.23560
4250.0000 -88.62044 -85.17479 3.44565 2.15343 -85.23892 702.11334
MELTING PROCESS: loop number 18 T-loop= 733.00000000000000
main_MD> interactions number 18 at Temperature= 733.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.90277 0.99442 2.74479
force_rgl> df(natom) -2.71999 -3.52770 1.51553
4255.0000 -89.16527 -85.66789 3.49737 2.11918 -85.61924 669.35508
4260.0000 -87.61464 -84.23353 3.38110 2.18055 -84.93783 710.36277
4265.0000 -87.60540 -83.61938 3.98602 2.28240 -83.80690 771.83034
4270.0000 -88.04210 -85.45064 2.59145 2.22915 -84.39816 758.73312
4275.0000 -89.43535 -87.07119 2.36416 2.07517 -86.10794 619.80047
4280.0000 -88.78482 -85.07621 3.70861 2.08454 -86.00393 647.05488
4285.0000 -88.79883 -85.66135 3.13748 2.13903 -85.39887 719.17736
4290.0000 -87.98840 -85.01039 2.97800 2.16631 -85.09599 714.42637
4295.0000 -87.41679 -83.26015 4.15664 2.25957 -84.06041 795.79959
4300.0000 -88.06390 -84.37365 3.69025 2.24473 -84.22519 784.31480
4305.0000 -89.02752 -85.11891 3.90861 2.19948 -84.72767 728.22053
4310.0000 -88.29160 -85.34389 2.94771 2.16562 -85.10357 734.68920
4315.0000 -88.34550 -85.33705 3.00845 2.14643 -85.31666 718.69275
4320.0000 -88.17405 -84.99193 3.18212 2.16012 -85.16468 712.49716
4325.0000 -88.58210 -85.17008 3.41202 2.14110 -85.37586 663.16056
4330.0000 -88.47826 -85.34122 3.13704 2.13177 -85.47951 686.21213
4335.0000 -88.84221 -84.23977 4.60244 2.20260 -84.69294 771.52967
4340.0000 -87.44854 -84.06104 3.38749 2.20978 -84.61331 732.98423
4345.0000 -87.27663 -83.42281 3.85382 2.30215 -83.58758 826.83323
4350.0000 -88.76397 -84.63510 4.12887 2.25388 -84.12358 785.89542
4355.0000 -88.41711 -85.02174 3.39536 2.14678 -85.31285 718.30152
4360.0000 -89.35341 -86.31248 3.04093 2.11683 -85.64540 660.38534
4365.0000 -87.97696 -83.72946 4.24750 2.21689 -84.53429 732.52576
4370.0000 -87.62633 -84.16644 3.45989 2.29455 -83.67202 827.39975
4375.0000 -87.92169 -84.76318 3.15851 2.22502 -84.44402 775.78411
4380.0000 -88.05552 -83.52200 4.53352 2.22828 -84.40788 782.35844
4385.0000 -88.59768 -84.07986 4.51782 2.27098 -83.93368 754.43833
4390.0000 -88.50126 -84.93392 3.56734 2.23937 -84.28475 751.59535
4395.0000 -88.21046 -85.44763 2.76284 2.11666 -85.64725 672.28603
4400.0000 -87.96596 -83.71589 4.25007 2.24574 -84.21402 765.13050
4405.0000 -88.73825 -85.69768 3.04057 2.24617 -84.20914 797.14750
4410.0000 -88.01303 -85.23085 2.78218 2.14657 -85.31513 685.34996
4415.0000 -87.95792 -83.44362 4.51431 2.21568 -84.54772 751.34778
4420.0000 -86.79866 -82.70375 4.09490 2.33531 -83.21946 826.47335
4425.0000 -87.81110 -83.79899 4.01211 2.30221 -83.58696 828.69300
4430.0000 -87.05295 -83.32738 3.72558 2.33066 -83.27103 880.87240
4435.0000 -88.40021 -84.72222 3.67799 2.26765 -83.97068 785.53050
4440.0000 -87.68039 -83.23363 4.44676 2.26816 -83.96502 799.57580
4445.0000 -87.86150 -83.69543 4.16607 2.29830 -83.63035 845.00212
4450.0000 -88.57051 -84.92773 3.64277 2.23316 -84.35369 755.17864
4455.0000 -87.97331 -83.61864 4.35467 2.20545 -84.66139 762.31486
4460.0000 -87.41196 -83.51797 3.89399 2.28996 -83.72301 830.17162
4465.0000 -86.84962 -83.28367 3.56595 2.31411 -83.45480 840.46166
4470.0000 -88.36561 -84.76160 3.60401 2.20685 -84.64578 745.27305
4475.0000 -87.91025 -85.23101 2.67924 2.16017 -85.16413 711.43080
4480.0000 -88.85480 -85.43734 3.41746 2.15567 -85.21410 735.53733
4485.0000 -89.03343 -85.39829 3.63514 2.14248 -85.36051 726.25939
4490.0000 -89.02503 -85.16195 3.86307 2.11149 -85.70460 688.93315
4495.0000 -88.64126 -85.81259 2.82867 2.12683 -85.53434 670.59598
4500.0000 -88.76385 -85.26651 3.49734 2.08856 -85.95928 606.61072
MELTING PROCESS: loop number 19 T-loop= 758.00000000000000
main_MD> interactions number 19 at Temperature= 758.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.49770 -0.26014 2.71665
force_rgl> df(natom) -2.57773 1.57585 -0.15840
4505.0000 -88.56360 -84.98319 3.58041 2.16582 -85.10138 701.72440
4510.0000 -88.50787 -84.93240 3.57547 2.16127 -85.15186 695.42238
4515.0000 -88.24014 -83.88945 4.35069 2.21385 -84.56808 786.51797
4520.0000 -88.01415 -85.02659 2.98756 2.19756 -84.74896 783.68807
4525.0000 -87.50896 -84.16074 3.34822 2.23156 -84.37139 768.42501
4530.0000 -87.58804 -83.98024 3.60780 2.25102 -84.15529 762.13209
4535.0000 -87.33932 -83.44727 3.89205 2.28567 -83.77060 759.92898
4540.0000 -86.86731 -83.09349 3.77382 2.30883 -83.51342 818.65765
4545.0000 -88.04694 -84.31533 3.73161 2.32552 -83.32814 852.61040
4550.0000 -87.20474 -83.71131 3.49343 2.26200 -84.03344 797.27513
4555.0000 -89.12237 -85.09330 4.02907 2.22212 -84.47625 758.53129
4560.0000 -87.77998 -84.70420 3.07578 2.20732 -84.64055 755.72712
4565.0000 -88.53169 -84.90801 3.62368 2.19785 -84.74574 719.28269
4570.0000 -88.56889 -85.11535 3.45354 2.18171 -84.92493 727.49077
4575.0000 -87.99941 -84.87095 3.12845 2.16033 -85.16232 693.94388
4580.0000 -88.09939 -84.94367 3.15572 2.18046 -84.93877 671.94341
4585.0000 -87.35025 -84.39795 2.95231 2.20971 -84.61399 705.64874
4590.0000 -88.18647 -84.49386 3.69260 2.26337 -84.01824 771.96290
4595.0000 -88.73637 -85.05427 3.68210 2.17494 -85.00016 712.73174
4600.0000 -88.46745 -84.75317 3.71428 2.22507 -84.44346 769.68594
4605.0000 -87.96714 -84.56020 3.40694 2.19078 -84.82423 743.77249
4610.0000 -88.78042 -85.19572 3.58470 2.15441 -85.22802 730.53129
4615.0000 -88.25518 -85.16477 3.09041 2.16765 -85.08110 721.20988
4620.0000 -89.04702 -85.43363 3.61339 2.10765 -85.74724 646.97802
4625.0000 -88.90859 -85.80530 3.10329 2.14346 -85.34966 693.13789
4630.0000 -88.36196 -85.90539 2.45658 2.15032 -85.27354 693.05020
4635.0000 -88.50601 -85.84260 2.66341 2.11249 -85.69349 658.74211
4640.0000 -87.77915 -83.66288 4.11627 2.19600 -84.76623 736.57311
4645.0000 -88.02619 -84.27334 3.75285 2.24411 -84.23212 780.51594
4650.0000 -88.62611 -85.16580 3.46031 2.19686 -84.75668 742.87324
4655.0000 -87.87153 -84.08398 3.78755 2.23092 -84.37857 779.96254
4660.0000 -88.17291 -84.04247 4.13043 2.29349 -83.68379 831.11669
4665.0000 -88.36379 -84.12636 4.23742 2.25521 -84.10880 783.02109
4670.0000 -88.77939 -84.93787 3.84152 2.25994 -84.05633 803.24362
4675.0000 -87.51711 -84.66610 2.85102 2.23777 -84.30242 763.70751
4680.0000 -87.88779 -83.94822 3.93957 2.28152 -83.81669 816.45243
4685.0000 -87.76365 -82.98543 4.77822 2.29113 -83.70994 790.61478
4690.0000 -86.64140 -82.74469 3.89671 2.37141 -82.81857 866.30633
4695.0000 -86.74884 -82.96536 3.78347 2.36094 -82.93487 809.98592
4700.0000 -88.92916 -85.02344 3.90573 2.24915 -84.17608 793.17315
4705.0000 -88.52545 -84.88568 3.63976 2.21830 -84.51866 757.62569
4710.0000 -87.07969 -83.69325 3.38644 2.21415 -84.56475 764.97777
4715.0000 -87.99516 -84.52555 3.46961 2.26731 -83.97441 783.04397
4720.0000 -88.56893 -84.55326 4.01567 2.17886 -84.95663 729.62982
4725.0000 -88.31860 -85.70107 2.61754 2.14081 -85.37903 685.51517
4730.0000 -88.74734 -84.98606 3.76128 2.12299 -85.57694 652.82434
4735.0000 -88.52064 -84.79761 3.72304 2.21022 -84.60840 779.46649
4740.0000 -88.44418 -84.87857 3.56561 2.19464 -84.78135 767.36634
4745.0000 -87.71019 -84.20565 3.50455 2.18152 -84.92700 747.50212
4750.0000 -88.46944 -85.39227 3.07716 2.17702 -84.97696 716.18233
MELTING PROCESS: loop number 20 T-loop= 783.00000000000000
main_MD> interactions number 20 at Temperature= 783.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.57072 1.63214 0.26158
force_rgl> df(natom) 0.64997 2.02992 -3.16248
4755.0000 -87.80288 -84.47423 3.32865 2.22149 -84.48323 775.90680
4760.0000 -88.12075 -83.32715 4.79359 2.25841 -84.07326 791.72360
4765.0000 -87.57744 -83.31615 4.26129 2.27155 -83.92740 808.95196
4770.0000 -88.46907 -84.53595 3.93312 2.26461 -84.00446 797.63692
4775.0000 -87.96545 -83.63549 4.32996 2.26909 -83.95465 806.47241
4780.0000 -88.47665 -84.55213 3.92452 2.25620 -84.09777 801.17913
4785.0000 -88.45646 -84.37586 4.08060 2.22728 -84.41895 773.54265
4790.0000 -86.94652 -83.30194 3.64457 2.29498 -83.66721 813.42583
4795.0000 -86.57106 -83.38768 3.18337 2.29912 -83.62120 836.49700
4800.0000 -87.52482 -83.26852 4.25630 2.29859 -83.62709 837.71685
4805.0000 -87.09002 -82.33548 4.75454 2.33767 -83.19320 838.73538
4810.0000 -86.82750 -82.76308 4.06442 2.38254 -82.69504 894.02434
4815.0000 -88.54675 -84.24624 4.30051 2.28665 -83.75968 801.68869
4820.0000 -88.05352 -84.49623 3.55729 2.21247 -84.58341 742.29097
4825.0000 -87.58074 -84.27088 3.30985 2.23699 -84.31117 770.31140
4830.0000 -87.02986 -83.32004 3.70983 2.29326 -83.68636 814.26895
4835.0000 -87.75061 -84.43625 3.31435 2.29531 -83.66351 807.53468
4840.0000 -87.80150 -84.21319 3.58831 2.24646 -84.20593 774.49025
4845.0000 -87.82775 -84.07199 3.75577 2.25979 -84.05792 791.77257
4850.0000 -86.99734 -82.59515 4.40219 2.33994 -83.16801 838.59151
4855.0000 -87.44742 -83.34863 4.09879 2.34161 -83.14949 860.21293
4860.0000 -87.83019 -84.11032 3.71988 2.25630 -84.09669 770.18118
4865.0000 -86.88998 -83.03239 3.85759 2.31157 -83.48301 836.06444
4870.0000 -87.93679 -85.13469 2.80210 2.22907 -84.39911 749.94745
4875.0000 -87.65406 -84.11398 3.54008 2.21544 -84.55040 765.87236
4880.0000 -88.10894 -85.07959 3.02935 2.25110 -84.15445 782.33412
4885.0000 -87.83389 -84.11995 3.71394 2.25401 -84.12211 788.06495
4890.0000 -87.45122 -83.97904 3.47217 2.23800 -84.29991 810.14020
4895.0000 -87.00604 -83.81249 3.19355 2.27959 -83.83808 795.44829
4900.0000 -87.35038 -83.33864 4.01173 2.36146 -82.92903 887.98382
4905.0000 -88.10151 -84.07687 4.02464 2.29540 -83.66261 809.91158
4910.0000 -86.94787 -82.85483 4.09304 2.29096 -83.71183 748.59733
4915.0000 -88.21393 -84.76690 3.44702 2.28303 -83.79989 803.33730
4920.0000 -88.49270 -84.61399 3.87872 2.27274 -83.91421 838.58313
4925.0000 -88.50065 -84.61845 3.88220 2.22862 -84.40410 743.89266
4930.0000 -87.37031 -83.94680 3.42351 2.20113 -84.70936 745.63800
4935.0000 -87.72156 -84.47160 3.24996 2.18246 -84.91660 735.53379
4940.0000 -87.45566 -83.41462 4.04104 2.24222 -84.25307 774.33794
4945.0000 -86.80934 -83.65301 3.15634 2.32627 -83.31979 850.61655
4950.0000 -88.45186 -85.02799 3.42387 2.19877 -84.73547 750.01292
4955.0000 -87.34114 -84.12704 3.21410 2.20325 -84.68574 709.87892
4960.0000 -88.69403 -84.10050 4.59353 2.25544 -84.10631 747.46238
4965.0000 -87.67219 -82.83597 4.83623 2.31666 -83.42654 853.00847
4970.0000 -86.98763 -82.87285 4.11478 2.37741 -82.75194 866.28618
4975.0000 -87.66900 -83.77367 3.89532 2.34090 -83.15738 832.85540
4980.0000 -88.57745 -84.12351 4.45393 2.30611 -83.54367 808.31938
4985.0000 -87.38023 -83.23422 4.14601 2.25709 -84.08797 774.13703
4990.0000 -87.86765 -84.73569 3.13196 2.26413 -84.00976 796.18031
4995.0000 -87.05525 -83.46772 3.58753 2.23545 -84.32824 772.57754
5000.0000 -87.34731 -84.02342 3.32389 2.31524 -83.44226 816.23505
MELTING PROCESS: loop number 21 T-loop= 808.00000000000000
main_MD> interactions number 21 at Temperature= 808.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.72904 -3.20161 -2.72261
force_rgl> df(natom) -0.35934 1.20041 -1.77865
5005.0000 -87.54699 -83.91882 3.62816 2.22982 -84.39069 769.56946
5010.0000 -87.41083 -83.84148 3.56935 2.31452 -83.45022 812.89590
5015.0000 -87.70545 -83.11195 4.59350 2.33316 -83.24333 883.54690
5020.0000 -86.60048 -82.91782 3.68267 2.36807 -82.85564 868.69636
5025.0000 -87.12140 -82.91009 4.21130 2.28897 -83.73401 788.18458
5030.0000 -87.93220 -83.75078 4.18143 2.34131 -83.15277 852.12577
5035.0000 -88.45965 -84.70585 3.75381 2.21973 -84.50279 761.39517
5040.0000 -88.40243 -86.08407 2.31836 2.13279 -85.46808 668.59855
5045.0000 -88.51920 -85.43647 3.08273 2.07682 -86.08961 636.19543
5050.0000 -87.89136 -84.10116 3.79020 2.22735 -84.41814 753.26414
5055.0000 -86.27230 -82.02671 4.24559 2.34715 -83.08794 894.25935
5060.0000 -87.27953 -82.87973 4.39980 2.39975 -82.50384 916.66951
5065.0000 -88.01852 -83.68275 4.33577 2.32509 -83.33294 874.83376
5070.0000 -87.24854 -84.37949 2.86905 2.28294 -83.80094 795.11536
5075.0000 -87.37716 -83.43171 3.94546 2.28900 -83.73364 828.47768
5080.0000 -88.23671 -84.41987 3.81684 2.28535 -83.77416 786.03100
5085.0000 -86.28442 -82.24934 4.03508 2.29308 -83.68832 845.71481
5090.0000 -87.47607 -83.25883 4.21724 2.34046 -83.16220 822.92634
5095.0000 -88.02773 -84.21750 3.81023 2.21318 -84.57556 732.14762
5100.0000 -88.85212 -85.25625 3.59587 2.24538 -84.21795 768.08088
5105.0000 -87.61936 -84.35800 3.26136 2.16876 -85.06879 709.45353
5110.0000 -88.89577 -84.91562 3.98014 2.18219 -84.91963 749.38355
5115.0000 -88.54043 -84.27772 4.26271 2.24124 -84.26398 757.23315
5120.0000 -88.54782 -83.95942 4.58840 2.19717 -84.75333 728.44610
5125.0000 -87.07942 -83.78378 3.29563 2.29823 -83.63109 808.13660
5130.0000 -87.01450 -83.57966 3.43484 2.27315 -83.90958 804.62682
5135.0000 -87.33779 -83.67001 3.66778 2.25684 -84.09076 823.20964
5140.0000 -87.42850 -83.73100 3.69750 2.28302 -83.80001 791.14253
5145.0000 -86.85362 -83.65127 3.20235 2.29088 -83.71277 795.70771
5150.0000 -87.73886 -84.35257 3.38629 2.20993 -84.61160 749.61199
5155.0000 -87.39112 -83.10137 4.28975 2.32270 -83.35945 820.19196
5160.0000 -87.91152 -82.32903 5.58249 2.34143 -83.15140 863.20419
5165.0000 -87.90598 -83.42646 4.47952 2.38365 -82.68271 894.50250
5170.0000 -88.30296 -85.05318 3.24978 2.25310 -84.13222 776.29561
5175.0000 -87.05683 -83.50149 3.55533 2.26932 -83.95212 764.80836
5180.0000 -87.74727 -83.66202 4.08525 2.27350 -83.90569 767.35904
5185.0000 -87.40619 -83.13739 4.26879 2.33550 -83.21730 833.07040
5190.0000 -87.28273 -83.03777 4.24496 2.35663 -82.98267 835.18171
5195.0000 -87.46414 -83.32626 4.13788 2.32479 -83.33625 839.63928
5200.0000 -88.04799 -84.52208 3.52590 2.31673 -83.42574 868.20192
5205.0000 -87.77658 -83.24761 4.52897 2.25412 -84.12089 781.16883
5210.0000 -86.87368 -82.85901 4.01468 2.29140 -83.70700 843.46773
5215.0000 -86.82167 -82.69520 4.12647 2.35893 -82.95718 861.70870
5220.0000 -88.08091 -83.51500 4.56590 2.39138 -82.59686 934.29719
5225.0000 -87.17542 -83.82978 3.34564 2.27253 -83.91648 813.54818
5230.0000 -87.87792 -82.70040 5.17752 2.32366 -83.34880 845.35088
5235.0000 -88.20469 -84.12305 4.08164 2.24440 -84.22884 795.52830
5240.0000 -88.02733 -83.82035 4.20698 2.23066 -84.38136 777.99646
5245.0000 -86.62380 -83.63768 2.98612 2.25897 -84.06703 792.10914
5250.0000 -87.45783 -83.85071 3.60712 2.27896 -83.84513 799.96363
MELTING PROCESS: loop number 22 T-loop= 833.00000000000000
main_MD> interactions number 22 at Temperature= 833.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.12211 3.33723 -0.67670
force_rgl> df(natom) -1.70235 3.76302 -2.98963
5255.0000 -87.60417 -83.76372 3.84045 2.32442 -83.34035 855.65495
5260.0000 -88.18932 -84.74924 3.44009 2.23874 -84.29175 753.97722
5265.0000 -87.55243 -83.80909 3.74335 2.26625 -83.98623 808.38266
5270.0000 -87.64720 -84.23353 3.41368 2.23874 -84.29174 756.80085
5275.0000 -86.04334 -81.93347 4.10987 2.36021 -82.94290 843.42349
5280.0000 -86.68983 -83.04304 3.64679 2.37999 -82.72328 890.86594
5285.0000 -86.69008 -82.33021 4.35987 2.42049 -82.27360 927.84645
5290.0000 -88.48858 -84.07381 4.41476 2.34246 -83.13999 857.98184
5295.0000 -88.26620 -84.52550 3.74070 2.31146 -83.48422 810.96464
5300.0000 -87.35515 -83.38931 3.96584 2.26693 -83.97868 779.34579
5305.0000 -87.92298 -84.01121 3.91176 2.31459 -83.44945 838.34905
5310.0000 -88.16657 -84.72951 3.43706 2.21922 -84.50846 783.50696
5315.0000 -87.77123 -83.01406 4.75717 2.25384 -84.12398 812.22680
5320.0000 -86.86899 -83.54367 3.32532 2.32866 -83.29321 868.33371
5325.0000 -88.41227 -83.53643 4.87584 2.28044 -83.82870 821.88380
5330.0000 -87.06779 -81.79071 5.27708 2.38489 -82.66887 924.77842
5335.0000 -87.16452 -82.56032 4.60420 2.42546 -82.21844 895.23638
5340.0000 -87.01806 -82.05684 4.96122 2.43324 -82.13201 928.41525
5345.0000 -88.02728 -84.32447 3.70281 2.31907 -83.39975 836.31271
5350.0000 -88.51879 -85.16357 3.35522 2.22806 -84.41033 785.04860
5355.0000 -87.52667 -83.72698 3.79969 2.21120 -84.59750 753.21108
5360.0000 -87.06634 -82.92127 4.14507 2.28948 -83.72824 792.49898
5365.0000 -88.28313 -83.45876 4.82437 2.39372 -82.57084 912.06743
5370.0000 -86.22029 -82.07782 4.14247 2.39325 -82.57606 854.93249
5375.0000 -86.43151 -83.02368 3.40783 2.37973 -82.72619 875.98503
5380.0000 -86.79966 -82.88784 3.91182 2.32287 -83.35756 861.14324
5385.0000 -87.03600 -83.37207 3.66393 2.31485 -83.44658 835.64232
5390.0000 -87.71712 -84.10372 3.61340 2.32324 -83.35346 841.64852
5395.0000 -87.57296 -83.23467 4.33829 2.30733 -83.53004 834.96095
5400.0000 -89.04230 -85.42089 3.62140 2.26308 -84.02140 825.32079
5405.0000 -87.82504 -84.31014 3.51489 2.22267 -84.47019 784.79097
5410.0000 -88.05569 -84.03752 4.01817 2.30364 -83.57108 819.51471
5415.0000 -88.37158 -83.63020 4.74138 2.27175 -83.92517 816.48838
5420.0000 -87.64010 -82.78607 4.85403 2.33734 -83.19687 898.80215
5425.0000 -88.31414 -84.09940 4.21474 2.33224 -83.25346 902.89641
5430.0000 -87.08078 -83.79756 3.28322 2.27407 -83.89937 786.40121
5435.0000 -88.11139 -84.37830 3.73309 2.23888 -84.29016 759.60584
5440.0000 -88.18794 -85.10854 3.07940 2.19631 -84.76282 777.33685
5445.0000 -87.75204 -83.40859 4.34345 2.22272 -84.46958 759.72164
5450.0000 -87.60152 -83.99185 3.60967 2.24819 -84.18675 787.00467
5455.0000 -88.30506 -84.41726 3.88780 2.27926 -83.84173 807.72027
5460.0000 -87.11002 -83.68457 3.42545 2.24488 -84.22355 785.30509
5465.0000 -87.97597 -84.51237 3.46360 2.25594 -84.10067 775.79348
5470.0000 -87.76996 -83.94936 3.82060 2.30885 -83.51322 820.70510
5475.0000 -88.03046 -83.91650 4.11396 2.29766 -83.63748 820.49646
5480.0000 -87.07212 -83.43691 3.63521 2.22941 -84.39527 751.36750
5485.0000 -88.17908 -84.33531 3.84377 2.28949 -83.72818 819.56863
5490.0000 -89.02859 -85.02940 3.99919 2.20487 -84.66773 682.54115
5495.0000 -89.22034 -85.71031 3.51004 2.16614 -85.09784 690.64821
5500.0000 -87.93271 -84.60467 3.32804 2.13858 -85.40381 713.40546
MELTING PROCESS: loop number 23 T-loop= 858.00000000000000
main_MD> interactions number 23 at Temperature= 858.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.04974 -1.24138 2.85824
force_rgl> df(natom) -1.22560 -1.41503 1.34677
5505.0000 -87.62249 -83.56678 4.05571 2.26120 -84.04229 777.45140
5510.0000 -87.21571 -83.31333 3.90238 2.28111 -83.82123 809.48021
5515.0000 -87.61749 -83.61548 4.00201 2.29950 -83.61699 819.27573
5520.0000 -87.45959 -83.77077 3.68882 2.29686 -83.64634 776.77293
5525.0000 -87.76076 -83.56645 4.19431 2.29461 -83.67132 807.95828
5530.0000 -85.40627 -81.40859 3.99767 2.31893 -83.40127 821.66188
5535.0000 -87.05903 -82.10003 4.95900 2.41508 -82.33365 915.26442
5540.0000 -85.87656 -81.88734 3.98922 2.46922 -81.73246 961.16323
5545.0000 -86.25916 -81.67661 4.58254 2.52421 -81.12187 933.94985
5550.0000 -85.71550 -81.87600 3.83950 2.49691 -81.42508 945.02853
5555.0000 -87.70263 -83.36497 4.33767 2.41221 -82.36552 907.42628
5560.0000 -87.35192 -83.05823 4.29370 2.38914 -82.62172 892.05563
5565.0000 -87.03045 -82.65428 4.37617 2.36433 -82.89719 811.40129
5570.0000 -87.95308 -84.85475 3.09833 2.26037 -84.05153 775.05996
5575.0000 -87.73850 -84.31638 3.42212 2.20750 -84.63853 754.99600
5580.0000 -86.79548 -83.28599 3.50949 2.27094 -83.93417 777.73216
5585.0000 -86.32426 -82.50290 3.82136 2.38033 -82.71958 877.60634
5590.0000 -88.08981 -84.39749 3.69231 2.28771 -83.74797 780.98579
5595.0000 -87.52859 -81.97081 5.55777 2.34767 -83.08219 868.93907
5600.0000 -87.32861 -82.84823 4.48039 2.34546 -83.10669 852.19047
5605.0000 -86.70298 -82.88046 3.82252 2.32479 -83.33617 841.37822
5610.0000 -88.60173 -83.83452 4.76721 2.32986 -83.27990 849.19826
5615.0000 -86.57101 -83.11800 3.45301 2.28553 -83.77214 869.13024
5620.0000 -86.93781 -83.86578 3.07203 2.28628 -83.76385 825.81226
5625.0000 -87.71986 -84.14588 3.57398 2.32409 -83.34403 841.51733
5630.0000 -87.34620 -83.47677 3.86943 2.27036 -83.94055 792.54277
5635.0000 -87.85107 -84.41338 3.43769 2.27797 -83.85611 786.60036
5640.0000 -87.84059 -83.35029 4.49030 2.30035 -83.60758 854.66909
5645.0000 -87.96634 -84.02163 3.94471 2.31138 -83.48511 840.64794
5650.0000 -86.52573 -83.66426 2.86146 2.33086 -83.26880 871.50532
5655.0000 -88.90631 -85.08809 3.81822 2.24544 -84.21727 828.56107
5660.0000 -86.98250 -82.84347 4.13903 2.27165 -83.92630 826.11225
5665.0000 -86.58049 -81.92891 4.65159 2.34956 -83.06123 844.64432
5670.0000 -86.98684 -83.33238 3.65445 2.44164 -82.03876 900.14398
5675.0000 -85.94235 -81.98608 3.95627 2.35261 -83.02734 820.52445
5680.0000 -86.17912 -81.77002 4.40910 2.43928 -82.06494 943.39404
5685.0000 -86.85801 -82.57767 4.28035 2.41285 -82.35841 920.69995
5690.0000 -87.41471 -83.21218 4.20254 2.32670 -83.31507 870.40771
5695.0000 -87.03817 -83.62264 3.41553 2.34570 -83.10399 832.95093
5700.0000 -87.82500 -83.13296 4.69203 2.28669 -83.75926 795.89475
5705.0000 -86.68638 -82.35112 4.33526 2.38496 -82.66810 904.63644
5710.0000 -87.14271 -83.28232 3.86038 2.32750 -83.30610 881.01577
5715.0000 -87.29550 -82.74368 4.55182 2.36526 -82.88686 882.41687
5720.0000 -88.03621 -84.58026 3.45595 2.30315 -83.57654 835.44318
5725.0000 -89.84656 -85.24755 4.59901 2.16031 -85.16259 719.68278
5730.0000 -87.99963 -83.65748 4.34215 2.25574 -84.10289 830.03112
5735.0000 -88.21084 -84.23262 3.97822 2.26912 -83.95433 817.59395
5740.0000 -87.79711 -84.49930 3.29781 2.25815 -84.07617 789.66380
5745.0000 -88.36108 -83.94250 4.41857 2.23638 -84.31786 786.70272
5750.0000 -87.45752 -83.67081 3.78671 2.31302 -83.46686 824.54953
MELTING PROCESS: loop number 24 T-loop= 883.00000000000000
main_MD> interactions number 24 at Temperature= 883.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.36087 -1.72425 5.74330
force_rgl> df(natom) -0.38292 -3.73604 2.63027
5755.0000 -87.40186 -82.77443 4.62743 2.34751 -83.08393 842.64128
5760.0000 -86.79780 -83.52508 3.27272 2.35573 -82.99264 813.02495
5765.0000 -87.65487 -83.96863 3.68624 2.32765 -83.30441 809.35865
5770.0000 -87.06371 -83.85223 3.21149 2.26508 -83.99924 787.51832
5775.0000 -86.32883 -82.41697 3.91186 2.37992 -82.72413 879.76295
5780.0000 -86.84137 -82.72722 4.11416 2.35475 -83.00356 869.57076
5785.0000 -85.96645 -81.78699 4.17946 2.39463 -82.56069 899.72970
5790.0000 -87.39274 -82.59219 4.80055 2.40658 -82.42810 876.63182
5795.0000 -86.00510 -81.79369 4.21141 2.43201 -82.14573 910.24597
5800.0000 -86.01010 -82.43624 3.57386 2.45470 -81.89371 991.96207
5805.0000 -87.56464 -83.24951 4.31513 2.40057 -82.49476 927.09451
5810.0000 -85.74577 -81.77639 3.96937 2.34674 -83.09246 864.34302
5815.0000 -86.27953 -82.07436 4.20516 2.43223 -82.14320 904.11480
5820.0000 -86.28563 -81.13836 5.14726 2.41485 -82.33624 930.60512
5825.0000 -87.62608 -82.83796 4.78812 2.43913 -82.06658 951.12708
5830.0000 -87.80193 -83.00153 4.80040 2.37942 -82.72965 905.24649
5835.0000 -87.53234 -82.99910 4.53323 2.38564 -82.66057 893.99623
5840.0000 -87.48590 -83.16860 4.31730 2.31930 -83.39716 833.86197
5845.0000 -86.59268 -82.18885 4.40383 2.43897 -82.06844 927.70385
5850.0000 -86.20398 -81.60127 4.60270 2.47782 -81.63702 986.63683
5855.0000 -86.95222 -82.87401 4.07821 2.37616 -82.76578 829.45407
5860.0000 -87.67923 -83.94739 3.73185 2.32446 -83.33983 893.42927
5865.0000 -88.23454 -84.26502 3.96952 2.26203 -84.03313 827.27983
5870.0000 -86.74220 -83.01198 3.73021 2.31270 -83.47045 842.50836
5875.0000 -87.39842 -83.76415 3.63427 2.31641 -83.42926 821.99083
5880.0000 -86.38951 -83.37284 3.01667 2.31709 -83.42175 848.56977
5885.0000 -86.08892 -82.20757 3.88136 2.30915 -83.50987 822.85761
5890.0000 -87.70336 -82.38641 5.31695 2.41664 -82.31634 945.28176
5895.0000 -86.30805 -81.48524 4.82282 2.38760 -82.63876 913.80698
5900.0000 -86.22318 -81.70122 4.52196 2.53648 -80.98572 1074.44119
5905.0000 -87.48284 -82.72604 4.75680 2.42989 -82.16926 931.16539
5910.0000 -87.14006 -83.10182 4.03825 2.35440 -83.00747 828.06449
5915.0000 -86.77275 -83.25138 3.52137 2.31862 -83.40475 827.54385
5920.0000 -87.78727 -84.04559 3.74168 2.27677 -83.86947 810.63500
5925.0000 -86.74323 -83.51683 3.22640 2.31853 -83.40569 809.40632
5930.0000 -86.26876 -81.28712 4.98164 2.43954 -82.06209 931.30503
5935.0000 -87.38428 -83.05007 4.33421 2.42347 -82.24049 877.68150
5940.0000 -87.23169 -82.19607 5.03561 2.34910 -83.06629 866.56977
5945.0000 -86.91993 -82.91771 4.00222 2.37683 -82.75833 890.75778
5950.0000 -87.76775 -84.16786 3.59989 2.34450 -83.11732 887.36763
5955.0000 -87.81338 -83.72802 4.08537 2.25743 -84.08412 793.48072
5960.0000 -85.50818 -81.21816 4.29002 2.33038 -83.27420 820.24777
5965.0000 -85.28786 -81.04969 4.23817 2.54039 -80.94230 997.08817
5970.0000 -87.65651 -83.81229 3.84422 2.39969 -82.50455 899.03723
5975.0000 -86.99555 -80.85056 6.14499 2.36354 -82.90592 910.24776
5980.0000 -87.47353 -82.26364 5.20988 2.48288 -81.58086 985.93958
5985.0000 -86.72659 -82.70078 4.02581 2.38389 -82.68004 865.06765
5990.0000 -86.24930 -81.47391 4.77539 2.43136 -82.15292 912.51034
5995.0000 -87.05582 -82.74895 4.30688 2.43726 -82.08740 891.23943
6000.0000 -86.78973 -82.54475 4.24497 2.35904 -82.95591 916.78544
MELTING PROCESS: loop number 25 T-loop= 908.00000000000000
main_MD> interactions number 25 at Temperature= 908.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.40714 -2.17566 -0.31009
force_rgl> df(natom) 0.79738 -1.15504 -0.05977
6005.0000 -86.50429 -81.57081 4.93348 2.44431 -82.00908 935.59870
6010.0000 -86.13886 -81.26451 4.87435 2.48224 -81.58797 988.86487
6015.0000 -87.20837 -82.91466 4.29371 2.46519 -81.77727 937.88781
6020.0000 -87.20156 -82.31445 4.88711 2.37224 -82.80936 900.96638
6025.0000 -86.90007 -81.07551 5.82456 2.45967 -81.83853 1007.53529
6030.0000 -86.56268 -82.36916 4.19352 2.44647 -81.98518 931.49388
6035.0000 -84.96437 -80.62487 4.33950 2.47230 -81.69830 965.46562
6040.0000 -87.30898 -82.71947 4.58952 2.43511 -82.11129 946.59631
6045.0000 -86.16270 -82.39802 3.76468 2.45803 -81.85672 925.58478
6050.0000 -86.61906 -82.69949 3.91958 2.41832 -82.29768 906.26195
6055.0000 -88.24347 -84.04693 4.19654 2.33256 -83.24991 844.66103
6060.0000 -87.12100 -82.36555 4.75544 2.26310 -84.02116 788.37644
6065.0000 -88.00192 -82.43406 5.56786 2.40198 -82.47913 945.20716
6070.0000 -86.89983 -81.78093 5.11890 2.42195 -82.25736 924.79043
6075.0000 -87.26037 -82.50338 4.75699 2.45367 -81.90521 930.87280
6080.0000 -87.06049 -82.96830 4.09219 2.36145 -82.92914 884.99301
6085.0000 -87.54192 -82.68649 4.85543 2.32699 -83.31184 865.26876
6090.0000 -86.61537 -81.89189 4.72348 2.43857 -82.07289 966.14496
6095.0000 -88.81798 -83.97285 4.84513 2.34277 -83.13655 880.71888
6100.0000 -86.87541 -83.19057 3.68484 2.32524 -83.33117 886.35711
6105.0000 -87.64075 -83.32140 4.31935 2.40697 -82.42376 890.34415
6110.0000 -87.26470 -82.77865 4.48605 2.38262 -82.69414 925.41121
6115.0000 -87.63461 -83.79866 3.83595 2.34864 -83.07138 879.79350
6120.0000 -86.97291 -83.24567 3.72725 2.27883 -83.84657 805.89229
6125.0000 -84.92399 -81.12691 3.79708 2.42729 -82.19814 952.35911
6130.0000 -86.28458 -81.10825 5.17633 2.49357 -81.46210 971.89033
6135.0000 -86.23981 -82.06576 4.17406 2.50635 -81.32020 1016.16690
6140.0000 -86.95397 -82.72961 4.22436 2.43302 -82.13450 953.59196
6145.0000 -86.39914 -82.10345 4.29569 2.36785 -82.85810 872.58906
6150.0000 -85.87261 -82.20901 3.66359 2.42583 -82.21426 924.43944
6155.0000 -87.52237 -82.30665 5.21572 2.40327 -82.46482 911.44277
6160.0000 -86.92779 -82.45867 4.46912 2.40054 -82.49509 906.23968
6165.0000 -86.45767 -82.51945 3.93822 2.41826 -82.29836 925.93253
6170.0000 -87.76581 -83.22401 4.54180 2.38681 -82.64752 897.00614
6175.0000 -87.24966 -82.97333 4.27633 2.36769 -82.85983 863.12135
6180.0000 -87.53831 -82.52558 5.01273 2.42930 -82.17583 931.82499
6185.0000 -87.04455 -83.27949 3.76507 2.39891 -82.51318 886.75178
6190.0000 -86.87417 -82.61030 4.26388 2.32758 -83.30520 793.62954
6195.0000 -86.25745 -82.29946 3.95799 2.34236 -83.14116 849.05067
6200.0000 -86.25506 -82.57706 3.67799 2.46294 -81.80223 937.50584
6205.0000 -86.35129 -81.99680 4.35449 2.44892 -81.95796 913.91456
6210.0000 -87.49459 -83.47877 4.01583 2.41753 -82.30652 965.46029
6215.0000 -88.75366 -84.46070 4.29296 2.27612 -83.87659 784.09479
6220.0000 -87.44134 -83.62249 3.81885 2.21975 -84.50252 779.21499
6225.0000 -86.09079 -81.85260 4.23818 2.42967 -82.17169 926.26034
6230.0000 -86.92935 -82.97386 3.95550 2.37713 -82.75509 890.90203
6235.0000 -87.13678 -83.26288 3.87390 2.32995 -83.27895 838.10005
6240.0000 -87.44241 -82.38764 5.05478 2.35500 -83.00083 863.38786
6245.0000 -86.62565 -82.25229 4.37336 2.39913 -82.51076 860.63590
6250.0000 -86.04107 -81.87114 4.16993 2.43907 -82.06725 877.56848
MELTING PROCESS: loop number 26 T-loop= 933.00000000000000
main_MD> interactions number 26 at Temperature= 933.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.02388 1.09293 -1.05251
force_rgl> df(natom) -0.74013 1.28915 0.19420
6255.0000 -87.88252 -82.83506 5.04746 2.42419 -82.23255 929.32995
6260.0000 -86.49319 -81.85372 4.63947 2.36417 -82.89899 913.19208
6265.0000 -86.84165 -82.15468 4.68697 2.46685 -81.75880 978.83162
6270.0000 -86.13782 -81.80612 4.33170 2.44928 -81.95394 956.69583
6275.0000 -88.08387 -82.66899 5.41488 2.42550 -82.21794 912.41077
6280.0000 -86.61181 -82.25192 4.35989 2.45279 -81.91499 942.05211
6285.0000 -87.78379 -83.18519 4.59860 2.35218 -83.03211 893.23658
6290.0000 -87.30891 -81.88243 5.42647 2.44421 -82.01022 956.01041
6295.0000 -86.69988 -81.37437 5.32551 2.46422 -81.78806 946.87281
6300.0000 -87.46521 -83.12370 4.34151 2.46599 -81.76840 969.58611
6305.0000 -86.69031 -82.11584 4.57446 2.40642 -82.42984 895.93096
6310.0000 -86.33972 -82.29026 4.04946 2.44502 -82.00121 912.55814
6315.0000 -87.68282 -83.06523 4.61758 2.42058 -82.27258 941.48848
6320.0000 -86.35921 -82.65901 3.70020 2.39525 -82.55386 902.62528
6325.0000 -85.40738 -81.23146 4.17592 2.46492 -81.78024 977.68470
6330.0000 -85.47701 -79.68001 5.79700 2.56142 -80.70874 1039.49495
6335.0000 -86.81534 -81.86680 4.94854 2.56749 -80.64132 1030.81489
6340.0000 -87.13196 -82.30430 4.82766 2.42571 -82.21563 871.39826
6345.0000 -86.18381 -81.89966 4.28416 2.46875 -81.73773 980.20160
6350.0000 -86.03221 -81.38118 4.65103 2.50486 -81.33674 921.55050
6355.0000 -87.39356 -83.59256 3.80100 2.45950 -81.84049 945.97009
6360.0000 -87.07472 -82.69251 4.38221 2.35272 -83.02610 877.52503
6365.0000 -87.63872 -83.44148 4.19724 2.38068 -82.71560 924.37153
6370.0000 -86.92117 -81.84828 5.07288 2.37008 -82.83332 895.11542
6375.0000 -87.49928 -83.62752 3.87176 2.40313 -82.46637 932.09030
6380.0000 -86.69007 -82.79035 3.89971 2.32940 -83.28508 844.39198
6385.0000 -87.10835 -83.15970 3.94865 2.35886 -82.95787 869.51261
6390.0000 -86.90909 -81.48762 5.42146 2.36829 -82.85319 912.92917
6395.0000 -85.43419 -81.30418 4.13001 2.44741 -81.97469 965.27136
6400.0000 -85.42627 -80.79339 4.63288 2.58705 -80.42413 1038.60149
6405.0000 -86.02242 -80.27524 5.74718 2.55850 -80.74116 1060.46914
6410.0000 -86.79190 -80.44788 6.34402 2.57711 -80.53458 1038.31962
6415.0000 -85.56919 -81.67065 3.89854 2.48314 -81.57801 984.47487
6420.0000 -86.82610 -82.26927 4.55683 2.48380 -81.57057 955.10995
6425.0000 -87.57926 -82.77050 4.80876 2.36608 -82.87774 885.67087
6430.0000 -86.85081 -82.26817 4.58263 2.35650 -82.98415 858.29331
6435.0000 -86.73611 -82.18873 4.54738 2.40859 -82.40570 930.63843
6440.0000 -87.65268 -83.72849 3.92419 2.32347 -83.35090 841.90103
6445.0000 -86.04143 -82.49530 3.54614 2.37084 -82.82491 866.52349
6450.0000 -86.28401 -82.51835 3.76566 2.36074 -82.93699 872.95634
6455.0000 -87.98288 -83.54823 4.43465 2.37358 -82.79448 904.89711
6460.0000 -87.67679 -82.88460 4.79220 2.33722 -83.19819 894.79608
6465.0000 -86.75797 -82.23353 4.52443 2.47906 -81.62323 1028.94506
6470.0000 -85.78393 -81.14896 4.63497 2.42887 -82.18057 881.84867
6475.0000 -85.91078 -81.65987 4.25091 2.55013 -80.83409 1035.95849
6480.0000 -86.77186 -81.97062 4.80124 2.38920 -82.62107 862.69176
6485.0000 -85.80781 -81.05697 4.75084 2.53508 -81.00121 1034.67214
6490.0000 -84.91952 -80.44996 4.46955 2.55794 -80.74742 1013.02520
6495.0000 -84.76347 -80.42057 4.34290 2.54905 -80.84613 928.72123
6500.0000 -86.96657 -82.92354 4.04303 2.50812 -81.30057 1001.01081
MELTING PROCESS: loop number 27 T-loop= 958.00000000000000
main_MD> interactions number 27 at Temperature= 958.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.67984 0.54448 1.61151
force_rgl> df(natom) -5.39578 -3.43948 -0.31703
6505.0000 -86.65513 -81.79330 4.86183 2.43142 -82.15226 982.30065
6510.0000 -85.68381 -81.84760 3.83621 2.47956 -81.61772 928.53719
6515.0000 -86.01097 -82.21404 3.79693 2.46663 -81.76123 977.90570
6520.0000 -87.40277 -83.03330 4.36946 2.42962 -82.17225 961.20804
6525.0000 -86.39217 -82.08407 4.30810 2.37726 -82.75359 857.85704
6530.0000 -88.05235 -84.23542 3.81693 2.36976 -82.83693 904.76944
6535.0000 -86.96618 -82.69530 4.27088 2.28365 -83.79305 845.72725
6540.0000 -87.70955 -83.26730 4.44226 2.36310 -82.91089 906.63464
6545.0000 -87.00720 -83.50818 3.49902 2.34400 -83.12293 855.73919
6550.0000 -86.59089 -82.26188 4.32901 2.32914 -83.28794 850.47047
6555.0000 -88.57311 -83.84352 4.72958 2.32439 -83.34070 839.78272
6560.0000 -86.18754 -81.70998 4.47757 2.37476 -82.78135 871.13436
6565.0000 -87.01398 -82.12645 4.88753 2.40309 -82.46684 886.20166
6570.0000 -87.53518 -82.82774 4.70744 2.44321 -82.02130 957.91423
6575.0000 -88.66056 -84.22497 4.43560 2.28803 -83.74437 783.45900
6580.0000 -87.48711 -83.78779 3.69932 2.27680 -83.86911 830.84699
6585.0000 -87.74135 -83.56563 4.17572 2.30829 -83.51947 839.29030
6590.0000 -86.65049 -82.57902 4.07147 2.35325 -83.02022 894.58615
6595.0000 -87.42239 -82.33458 5.08782 2.41161 -82.37223 918.90761
6600.0000 -86.64023 -82.57261 4.06762 2.40647 -82.42922 923.87526
6605.0000 -86.88013 -82.39409 4.48603 2.40322 -82.46539 944.82391
6610.0000 -85.07026 -80.60962 4.46064 2.51131 -81.26514 990.82513
6615.0000 -86.04985 -80.54030 5.50955 2.55124 -80.82179 967.62094
6620.0000 -86.23871 -82.27045 3.96826 2.47820 -81.63281 930.42592
6625.0000 -86.57665 -82.09954 4.47711 2.43088 -82.15821 892.45521
6630.0000 -85.67266 -81.22352 4.44914 2.44697 -81.97963 916.86610
6635.0000 -85.85795 -81.50733 4.35063 2.51830 -81.18751 1008.04191
6640.0000 -85.46837 -80.43155 5.03682 2.51548 -81.21882 1029.50237
6645.0000 -84.93502 -79.44228 5.49275 2.63389 -79.90402 1120.42262
6650.0000 -86.09521 -82.32458 3.77064 2.52094 -81.15826 985.42551
6655.0000 -86.03329 -81.49642 4.53687 2.52531 -81.10975 1019.37862
6660.0000 -87.66525 -82.78707 4.87818 2.43538 -82.10830 954.38262
6665.0000 -86.38099 -83.07277 3.30822 2.34607 -83.09990 852.00735
6670.0000 -86.81096 -82.92131 3.88965 2.38315 -82.68826 853.51585
6675.0000 -86.66694 -82.63847 4.02846 2.33203 -83.25586 840.05260
6680.0000 -86.43370 -82.91614 3.51756 2.36696 -82.86796 869.90505
6685.0000 -85.83941 -80.76539 5.07402 2.44811 -81.96687 927.51753
6690.0000 -86.54756 -80.83878 5.70878 2.51889 -81.18104 1015.85410
6695.0000 -87.44999 -82.15173 5.29826 2.49218 -81.47762 973.14834
6700.0000 -85.79233 -80.65441 5.13792 2.50036 -81.38674 992.43434
6705.0000 -85.36694 -80.99257 4.37437 2.52570 -81.10540 1017.68333
6710.0000 -85.78421 -81.29587 4.48834 2.53830 -80.96548 994.82658
6715.0000 -87.09851 -82.23767 4.86083 2.46742 -81.75249 981.94030
6720.0000 -88.28407 -82.74492 5.53914 2.39895 -82.51274 938.32423
6725.0000 -85.68335 -81.40455 4.27880 2.44159 -82.03936 967.24145
6730.0000 -84.64944 -80.47078 4.17866 2.52155 -81.15145 955.90591
6735.0000 -84.98930 -79.55332 5.43599 2.63899 -79.84747 1076.32018
6740.0000 -85.37765 -81.03240 4.34525 2.60106 -80.26861 1111.18290
6745.0000 -85.55784 -80.68306 4.87478 2.59585 -80.32648 1064.11433
6750.0000 -86.33127 -81.61039 4.72088 2.52646 -81.09691 1020.25404
MELTING PROCESS: loop number 28 T-loop= 983.00000000000000
main_MD> interactions number 28 at Temperature= 983.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.86394 0.41359 2.06762
force_rgl> df(natom) -1.21512 -2.86584 -0.93223
6755.0000 -86.43928 -82.15575 4.28353 2.52254 -81.14052 1031.37391
6760.0000 -87.44006 -83.69947 3.74058 2.31155 -83.48329 853.93373
6765.0000 -85.88215 -81.64477 4.23738 2.38234 -82.69720 898.86612
6770.0000 -86.67189 -82.37312 4.29876 2.36559 -82.88320 880.55232
6775.0000 -88.00832 -83.29808 4.71024 2.37701 -82.75642 861.18290
6780.0000 -86.12192 -82.04948 4.07244 2.36815 -82.85478 892.81596
6785.0000 -86.09249 -81.84280 4.24969 2.44017 -82.05508 932.34103
6790.0000 -87.74762 -83.39459 4.35303 2.36253 -82.91718 901.49494
6795.0000 -87.04457 -83.72427 3.32030 2.31591 -83.43480 836.38209
6800.0000 -87.84002 -83.04805 4.79198 2.33028 -83.27526 855.31041
6805.0000 -85.80528 -82.25039 3.55489 2.36849 -82.85095 885.45594
6810.0000 -85.56007 -81.26858 4.29150 2.50841 -81.29737 989.26666
6815.0000 -86.53565 -80.90760 5.62806 2.55615 -80.76723 1039.94867
6820.0000 -85.74762 -81.99414 3.75348 2.52685 -81.09259 1013.03672
6825.0000 -87.46920 -83.44050 4.02870 2.37425 -82.78709 899.42470
6830.0000 -85.81014 -81.47535 4.33480 2.44946 -81.95189 957.40074
6835.0000 -86.71500 -82.42711 4.28790 2.44372 -82.01569 946.33342
6840.0000 -86.73492 -81.59882 5.13610 2.43520 -82.11024 935.11515
6845.0000 -86.36550 -81.64908 4.71642 2.48741 -81.53058 997.35116
6850.0000 -84.77960 -80.89102 3.88858 2.51443 -81.23057 998.22401
6855.0000 -84.22326 -79.67193 4.55133 2.56321 -80.68892 1068.92559
6860.0000 -86.45350 -80.88908 5.56442 2.61040 -80.16495 1094.10831
6865.0000 -85.02696 -80.83764 4.18932 2.53841 -80.96420 979.58374
6870.0000 -84.58279 -80.52763 4.05515 2.58973 -80.39440 994.60003
6875.0000 -84.35934 -80.19140 4.16794 2.55288 -80.80357 999.34245
6880.0000 -84.40597 -80.40570 4.00027 2.62854 -79.96349 1125.00900
6885.0000 -84.84578 -79.18680 5.65898 2.67479 -79.44997 1137.50495
6890.0000 -85.90370 -80.86478 5.03892 2.60686 -80.20417 1081.73405
6895.0000 -86.75698 -81.70684 5.05014 2.47828 -81.63191 948.58428
6900.0000 -86.20615 -82.05273 4.15342 2.46001 -81.83478 955.38709
6905.0000 -86.12792 -82.00823 4.11969 2.45978 -81.83739 978.42880
6910.0000 -85.04117 -80.23672 4.80444 2.52421 -81.12187 1035.87067
6915.0000 -87.12556 -82.46539 4.66017 2.54640 -80.87550 1027.32785
6920.0000 -86.95373 -81.88304 5.07069 2.45601 -81.87921 933.19970
6925.0000 -86.07516 -82.14916 3.92600 2.42267 -82.24944 913.13041
6930.0000 -86.01750 -81.73971 4.27779 2.48827 -81.52102 989.76629
6935.0000 -85.12577 -81.12187 4.00389 2.48883 -81.51473 974.80928
6940.0000 -85.57238 -82.18139 3.39099 2.44629 -81.98713 973.17059
6945.0000 -85.86226 -82.00909 3.85317 2.47245 -81.69667 958.63721
6950.0000 -85.70766 -80.24114 5.46651 2.54640 -80.87556 1083.65198
6955.0000 -85.23255 -80.60449 4.62806 2.57312 -80.57889 986.69228
6960.0000 -85.81349 -80.17376 5.63973 2.57841 -80.52008 1047.95656
6965.0000 -85.94512 -81.29331 4.65181 2.55276 -80.80489 1054.76731
6970.0000 -85.38620 -81.22265 4.16354 2.47403 -81.67906 980.33180
6975.0000 -88.29393 -82.44419 5.84974 2.40146 -82.48488 929.14990
6980.0000 -84.97558 -80.03282 4.94276 2.50448 -81.34104 1034.73275
6985.0000 -84.35064 -79.66327 4.68737 2.57063 -80.60644 1062.90929
6990.0000 -85.90262 -81.51781 4.38481 2.50985 -81.28132 957.56072
6995.0000 -86.31552 -82.10515 4.21037 2.45670 -81.87153 940.11805
7000.0000 -86.06485 -81.53070 4.53416 2.41191 -82.36883 915.03392
MELTING PROCESS: loop number 29 T-loop= 1008.0000000000000
main_MD> interactions number 29 at Temperature= 1008.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.42977 -0.13210 -1.97033
force_rgl> df(natom) -2.04799 3.43014 3.66054
7005.0000 -86.28840 -81.26819 5.02021 2.47509 -81.66733 959.95391
7010.0000 -85.26178 -81.03957 4.22221 2.49235 -81.47564 944.26755
7015.0000 -85.57187 -80.79845 4.77341 2.53103 -81.04616 1006.96981
7020.0000 -85.28808 -80.08204 5.20604 2.63996 -79.83667 1064.71540
7025.0000 -84.22476 -79.64556 4.57920 2.63094 -79.93683 1098.12579
7030.0000 -87.13727 -82.86461 4.27266 2.52206 -81.14580 1007.22630
7035.0000 -86.49179 -80.18139 6.31040 2.52154 -81.15158 996.62752
7040.0000 -86.35223 -81.13603 5.21619 2.51746 -81.19693 1035.69898
7045.0000 -85.80854 -81.81511 3.99343 2.48071 -81.60491 973.03791
7050.0000 -87.29555 -83.42664 3.86892 2.37765 -82.74925 902.41371
7055.0000 -86.08884 -80.54967 5.53916 2.42963 -82.17216 902.05954
7060.0000 -86.11601 -80.79987 5.31614 2.53355 -81.01821 1011.59682
7065.0000 -84.73270 -79.40588 5.32682 2.54243 -80.91958 1025.36259
7070.0000 -86.37920 -81.62789 4.75131 2.61009 -80.16835 1098.43309
7075.0000 -85.23541 -81.30892 3.92649 2.43276 -82.13732 937.28767
7080.0000 -86.08256 -81.92760 4.15497 2.54279 -80.91564 1008.18632
7085.0000 -85.88271 -81.47264 4.41008 2.43753 -82.08437 947.19683
7090.0000 -85.89238 -81.59075 4.30163 2.47068 -81.71636 982.16515
7095.0000 -87.08179 -82.02751 5.05428 2.46597 -81.76864 982.59379
7100.0000 -86.37749 -82.43258 3.94491 2.43319 -82.13258 961.51861
7105.0000 -87.28914 -82.59255 4.69659 2.36156 -82.92790 877.24083
7110.0000 -85.59336 -79.75229 5.84108 2.51865 -81.18371 1039.34612
7115.0000 -84.27911 -79.34542 4.93370 2.65845 -79.63136 1083.36266
7120.0000 -85.66163 -81.02251 4.63912 2.57635 -80.54293 1081.42238
7125.0000 -85.57383 -80.47446 5.09937 2.57153 -80.59649 1078.45030
7130.0000 -86.00418 -80.54768 5.45650 2.61276 -80.13869 1044.11199
7135.0000 -86.31469 -81.57865 4.73603 2.52913 -81.06725 1000.95595
7140.0000 -87.96515 -82.52473 5.44042 2.50672 -81.31615 1015.49575
7145.0000 -86.76060 -81.88411 4.87649 2.48128 -81.59857 1010.67237
7150.0000 -83.53000 -79.68987 3.84013 2.55781 -80.74882 1019.16008
7155.0000 -85.95411 -81.28651 4.66760 2.57008 -80.61259 986.54064
7160.0000 -87.01808 -81.76815 5.24994 2.52291 -81.13633 988.94228
7165.0000 -86.25417 -80.21168 6.04249 2.49790 -81.41411 983.05882
7170.0000 -86.23680 -81.37031 4.86649 2.56735 -80.64295 1049.66245
7175.0000 -85.17971 -78.64506 6.53465 2.60200 -80.25813 1051.19979
7180.0000 -85.24476 -79.88855 5.35621 2.73966 -78.72961 1225.82322
7185.0000 -85.04609 -80.48516 4.56093 2.60718 -80.20065 1080.27629
7190.0000 -85.74022 -82.02196 3.71827 2.49540 -81.44179 952.84564
7195.0000 -85.00531 -81.06808 3.93723 2.54805 -80.85720 1034.43300
7200.0000 -86.67632 -82.62301 4.05331 2.40479 -82.44790 929.98130
7205.0000 -87.41281 -81.01220 6.40061 2.42880 -82.18131 971.69474
7210.0000 -84.71756 -80.27047 4.44709 2.53103 -81.04617 1024.40455
7215.0000 -85.05467 -79.72274 5.33193 2.62979 -79.94956 1094.37761
7220.0000 -85.29124 -80.48343 4.80781 2.64609 -79.76865 1101.72489
7225.0000 -83.90797 -78.86324 5.04473 2.62586 -79.99323 1053.37610
7230.0000 -87.12931 -81.43303 5.69628 2.58064 -80.49529 1074.92612
7235.0000 -87.71006 -83.09344 4.61662 2.42792 -82.19107 985.29340
7240.0000 -88.16482 -84.04722 4.11760 2.34783 -83.08039 896.16803
7245.0000 -87.95205 -83.39548 4.55656 2.25635 -84.09619 825.63397
7250.0000 -86.88191 -82.78574 4.09617 2.42661 -82.20561 921.26291
MELTING PROCESS: loop number 30 T-loop= 1033.0000000000000
main_MD> interactions number 30 at Temperature= 1033.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46233 -1.65328 0.56476
force_rgl> df(natom) 0.10783 -1.38448 -1.31037
7255.0000 -85.18155 -79.60192 5.57962 2.49911 -81.40065 962.24762
7260.0000 -84.61054 -78.56378 6.04677 2.67579 -79.43888 1129.12591
7265.0000 -86.21680 -81.05559 5.16121 2.65450 -79.67525 1123.50775
7270.0000 -86.33700 -81.02840 5.30860 2.48277 -81.58208 978.70054
7275.0000 -84.79094 -79.83320 4.95774 2.59848 -80.29722 1047.26712
7280.0000 -87.03645 -83.17414 3.86231 2.51233 -81.25388 1010.90143
7285.0000 -86.02453 -81.97273 4.05180 2.44272 -82.02680 950.31175
7290.0000 -86.53132 -81.62859 4.90274 2.50924 -81.28818 1021.85351
7295.0000 -86.58447 -82.17865 4.40582 2.38542 -82.66305 874.85694
7300.0000 -85.52285 -80.78921 4.73364 2.46129 -81.82058 913.16086
7305.0000 -84.47542 -78.89128 5.58414 2.60817 -80.18968 1052.93835
7310.0000 -86.35416 -82.28978 4.06438 2.60183 -80.26010 1054.25242
7315.0000 -85.21569 -80.29892 4.91677 2.55386 -80.79270 1018.32439
7320.0000 -86.21504 -80.15067 6.06437 2.57736 -80.53179 1009.70075
7325.0000 -84.64928 -79.93126 4.71802 2.63675 -79.87234 1099.72256
7330.0000 -85.00632 -79.26142 5.74489 2.71129 -79.04460 1115.59490
7335.0000 -84.40817 -78.87804 5.53013 2.75105 -78.60318 1179.78272
7340.0000 -85.75938 -80.62855 5.13083 2.57260 -80.58460 1074.76266
7345.0000 -86.23282 -79.80022 6.43260 2.59478 -80.33830 1039.46773
7350.0000 -84.77055 -79.99582 4.77473 2.62016 -80.05652 1104.43319
7355.0000 -85.87788 -79.62526 6.25262 2.65959 -79.61865 1091.61698
7360.0000 -86.58112 -81.68664 4.89447 2.68237 -79.36571 1090.56833
7365.0000 -85.76627 -81.35866 4.40760 2.52421 -81.12191 983.71616
7370.0000 -86.13718 -80.80099 5.33620 2.56454 -80.67412 1072.33711
7375.0000 -85.75306 -80.54852 5.20454 2.56909 -80.62363 1036.48174
7380.0000 -84.09885 -78.85607 5.24278 2.67072 -79.49509 1139.78006
7385.0000 -84.01281 -78.33516 5.67766 2.70046 -79.16495 1138.00563
7390.0000 -86.08765 -81.16824 4.91941 2.65885 -79.62687 1129.31823
7395.0000 -85.11755 -80.69229 4.42526 2.56278 -80.69363 1026.53058
7400.0000 -86.32696 -80.17306 6.15390 2.52385 -81.12590 1028.14686
7405.0000 -84.82478 -79.40278 5.42200 2.60000 -80.28034 1040.09094
7410.0000 -85.40194 -80.33369 5.06825 2.63087 -79.93757 1060.58483
7415.0000 -84.17755 -79.04151 5.13604 2.65306 -79.69126 1118.11455
7420.0000 -85.52344 -79.90239 5.62105 2.62275 -80.02779 1100.82812
7425.0000 -85.21753 -80.38302 4.83451 2.60666 -80.20643 1047.13829
7430.0000 -85.71459 -79.77070 5.94389 2.61777 -80.08305 1079.21333
7435.0000 -86.36555 -80.42723 5.93833 2.55828 -80.74366 1054.03443
7440.0000 -85.48754 -80.07906 5.40848 2.57589 -80.54808 1072.62100
7445.0000 -85.84523 -79.91361 5.93162 2.58810 -80.41250 1140.21724
7450.0000 -83.97373 -79.24432 4.72940 2.74912 -78.62456 1189.67268
7455.0000 -85.55568 -81.30860 4.24708 2.62404 -80.01344 1055.49988
7460.0000 -87.79400 -81.73830 6.05571 2.50619 -81.32196 994.32507
7465.0000 -84.55333 -79.64308 4.91024 2.48941 -81.50834 967.13922
7470.0000 -84.96856 -79.09127 5.87729 2.65458 -79.67438 1072.70848
7475.0000 -84.49618 -79.11226 5.38392 2.64783 -79.74924 1107.56828
7480.0000 -85.65203 -79.54640 6.10563 2.64099 -79.82525 1086.46002
7485.0000 -86.33369 -80.45623 5.87746 2.65348 -79.68657 1126.25669
7490.0000 -86.02614 -81.32841 4.69773 2.57584 -80.54867 1032.71048
7495.0000 -86.01539 -80.65683 5.35856 2.60262 -80.25133 1077.41919
7500.0000 -86.40811 -80.62755 5.78056 2.54609 -80.87896 1085.22071
MELTING PROCESS: loop number 31 T-loop= 1058.0000000000000
main_MD> interactions number 31 at Temperature= 1058.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.10204 3.66662 -3.79532
force_rgl> df(natom) -0.61634 1.06655 0.38836
7505.0000 -85.13295 -80.14646 4.98648 2.58512 -80.44558 1072.57808
7510.0000 -85.65131 -81.05969 4.59162 2.65536 -79.66567 1098.69964
7515.0000 -86.27581 -81.40716 4.86865 2.51229 -81.25427 993.31044
7520.0000 -85.95099 -80.09493 5.85606 2.54908 -80.84575 1053.16825
7525.0000 -86.64365 -81.41966 5.22398 2.54467 -80.89473 1057.61605
7530.0000 -85.09263 -80.15343 4.93920 2.57919 -80.51142 1025.80673
7535.0000 -82.68903 -77.31534 5.37369 2.75392 -78.57126 1103.43333
7540.0000 -84.69968 -79.25906 5.44062 2.74455 -78.67537 1135.06536
7545.0000 -83.65539 -79.22966 4.42573 2.66481 -79.56073 1116.33177
7550.0000 -85.84015 -80.07059 5.76956 2.61851 -80.07484 1109.97875
7555.0000 -85.89330 -79.98106 5.91224 2.60886 -80.18197 1109.29600
7560.0000 -85.07412 -79.80338 5.27074 2.69096 -79.27041 1174.84724
7565.0000 -85.26478 -80.16506 5.09972 2.66534 -79.55491 1113.25782
7570.0000 -85.36319 -80.70737 4.65583 2.68589 -79.32666 1155.56748
7575.0000 -86.50894 -81.59952 4.90942 2.55716 -80.75604 1077.48591
7580.0000 -85.83810 -81.09516 4.74294 2.48180 -81.59287 936.20515
7585.0000 -85.47174 -81.63288 3.83886 2.48970 -81.50516 998.31130
7590.0000 -86.87114 -81.72957 5.14157 2.44951 -81.95137 944.98494
7595.0000 -85.02693 -80.29308 4.73386 2.48618 -81.54419 961.99774
7600.0000 -84.05559 -77.99964 6.05595 2.74187 -78.70510 1203.37096
7605.0000 -85.06043 -80.08262 4.97781 2.74474 -78.67319 1157.20643
7610.0000 -86.73366 -80.94922 5.78443 2.56927 -80.62164 1061.40660
7615.0000 -86.88843 -81.72725 5.16118 2.48921 -81.51056 979.21623
7620.0000 -86.20277 -82.24443 3.95834 2.44027 -82.05393 944.67437
7625.0000 -85.68804 -81.36325 4.32479 2.48835 -81.52011 934.84799
7630.0000 -85.75711 -81.54074 4.21636 2.53451 -81.00755 1023.60288
7635.0000 -85.13566 -80.58424 4.55142 2.48011 -81.61159 950.94288
7640.0000 -83.97242 -79.03794 4.93448 2.65189 -79.70425 1075.59928
7645.0000 -83.09403 -77.10458 5.98945 2.86499 -77.33801 1288.44300
7650.0000 -85.24584 -79.59579 5.65005 2.71274 -79.02853 1133.58009
7655.0000 -84.08402 -79.60884 4.47518 2.67241 -79.47633 1148.76009
7660.0000 -84.75028 -79.09681 5.65347 2.67877 -79.40579 1087.10876
7665.0000 -84.48573 -77.80101 6.68472 2.64339 -79.79860 1074.73735
7670.0000 -84.77478 -79.64378 5.13100 2.77116 -78.37988 1196.51752
7675.0000 -85.00328 -80.08321 4.92007 2.66830 -79.52202 1188.23894
7680.0000 -85.06845 -79.75623 5.31222 2.64462 -79.78489 1142.97755
7685.0000 -85.53890 -79.93750 5.60140 2.65839 -79.63203 1154.92383
7690.0000 -85.92929 -80.20660 5.72269 2.56123 -80.71085 1023.36054
7695.0000 -83.97977 -78.44696 5.53281 2.68112 -79.37961 1183.06857
7700.0000 -83.20258 -79.00193 4.20064 2.70732 -79.08875 1157.56913
7705.0000 -86.03230 -80.24931 5.78299 2.62289 -80.02618 1121.15857
7710.0000 -84.74372 -80.11522 4.62850 2.59253 -80.36337 1030.32129
7715.0000 -84.95196 -80.76177 4.19019 2.62702 -79.98038 1087.18731
7720.0000 -85.62818 -80.39771 5.23047 2.56386 -80.68171 1039.62912
7725.0000 -85.62358 -81.62077 4.00281 2.51168 -81.26105 1019.24461
7730.0000 -87.17480 -83.33268 3.84213 2.40165 -82.48282 918.16237
7735.0000 -86.40724 -82.20212 4.20512 2.44636 -81.98638 932.37724
7740.0000 -85.81122 -80.56320 5.24802 2.49711 -81.42278 930.45189
7745.0000 -84.90248 -79.46624 5.43625 2.62926 -79.95551 1045.83439
7750.0000 -84.60870 -78.51005 6.09864 2.65222 -79.70059 1121.76537
MELTING PROCESS: loop number 32 T-loop= 1083.0000000000000
main_MD> interactions number 32 at Temperature= 1083.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.17944 -4.16156 -3.27415
force_rgl> df(natom) 2.66268 -3.83504 -10.45933
7755.0000 -83.86849 -79.18759 4.68089 2.80391 -78.01626 1241.34911
7760.0000 -83.29486 -78.59422 4.70064 2.77227 -78.36751 1149.89620
7765.0000 -81.99237 -76.23258 5.75978 2.76205 -78.48104 1175.17352
7770.0000 -83.35510 -78.56718 4.78792 2.82250 -77.80985 1228.65548
7775.0000 -85.14930 -80.71925 4.43005 2.71368 -79.01810 1177.30909
7780.0000 -85.56440 -79.60757 5.95683 2.65547 -79.66445 1079.03655
7785.0000 -86.15079 -80.02490 6.12589 2.69432 -79.23308 1198.55570
7790.0000 -83.94655 -77.63379 6.31276 2.70510 -79.11334 1175.02339
7795.0000 -83.85396 -78.41936 5.43460 2.83645 -77.65486 1250.42560
7800.0000 -84.58880 -80.19081 4.39799 2.68106 -79.38029 1132.45267
7805.0000 -85.17512 -79.41430 5.76082 2.67679 -79.42769 1124.08771
7810.0000 -84.37396 -79.16252 5.21144 2.64682 -79.76048 1117.18726
7815.0000 -84.88252 -79.99004 4.89248 2.61671 -80.09485 1101.10872
7820.0000 -85.57338 -81.19472 4.37866 2.62290 -80.02610 1080.54662
7825.0000 -85.49851 -81.17071 4.32779 2.52152 -81.15181 982.38939
7830.0000 -84.71404 -80.37872 4.33531 2.66715 -79.53473 1113.74469
7835.0000 -86.67028 -81.64784 5.02244 2.49303 -81.46815 983.31204
7840.0000 -86.22162 -81.38113 4.84049 2.54003 -80.94629 1006.08432
7845.0000 -84.29898 -78.98098 5.31800 2.57418 -80.56707 1041.91639
7850.0000 -86.21462 -80.81487 5.39976 2.62449 -80.00842 1086.80396
7855.0000 -85.52592 -79.66403 5.86189 2.64748 -79.75322 1123.68034
7860.0000 -85.33071 -79.25614 6.07457 2.75574 -78.55109 1258.43823
7865.0000 -84.43801 -79.28439 5.15362 2.68597 -79.32579 1149.00615
7870.0000 -86.15664 -81.72078 4.43586 2.58855 -80.40755 1041.36490
7875.0000 -84.51656 -79.54451 4.97206 2.59958 -80.28508 1087.92730
7880.0000 -84.80670 -78.98172 5.82497 2.67945 -79.39823 1110.90604
7885.0000 -85.72283 -79.85733 5.86551 2.65420 -79.67858 1108.13486
7890.0000 -85.49007 -80.44616 5.04391 2.61539 -80.10945 1049.29067
7895.0000 -86.60332 -81.48082 5.12251 2.56628 -80.65479 1023.33864
7900.0000 -85.74901 -81.70638 4.04263 2.49364 -81.46134 1005.48538
7905.0000 -85.97288 -80.68584 5.28704 2.52262 -81.13959 1001.74440
7910.0000 -85.69142 -79.77809 5.91333 2.63725 -79.86675 1107.05971
7915.0000 -86.03708 -80.29529 5.74179 2.63755 -79.86342 1089.24567
7920.0000 -86.31369 -82.50963 3.80406 2.53462 -81.00632 1011.32642
7925.0000 -87.14195 -81.96257 5.17938 2.47341 -81.68596 948.92550
7930.0000 -85.68345 -80.23843 5.44502 2.51062 -81.27287 996.13068
7935.0000 -84.90064 -80.03891 4.86173 2.63450 -79.89729 1139.48481
7940.0000 -86.61504 -80.41847 6.19658 2.62005 -80.05770 1111.34082
7945.0000 -83.81146 -77.86034 5.95112 2.70896 -79.07046 1174.71578
7950.0000 -83.08995 -78.14353 4.94642 2.78917 -78.17986 1223.88193
7955.0000 -85.52590 -79.21406 6.31184 2.68583 -79.32738 1086.75137
7960.0000 -85.82883 -80.41209 5.41673 2.69031 -79.27759 1129.50134
7965.0000 -84.91816 -80.10351 4.81465 2.61915 -80.06773 1067.94857
7970.0000 -85.89373 -80.47949 5.41424 2.67801 -79.41420 1130.26790
7975.0000 -85.99783 -81.01759 4.98024 2.52120 -81.15539 1064.12313
7980.0000 -86.56900 -81.72616 4.84284 2.53475 -81.00486 1014.64706
7985.0000 -84.02810 -79.70037 4.32773 2.59138 -80.37614 1083.89359
7990.0000 -84.62163 -80.10220 4.51943 2.68040 -79.38766 1138.85503
7995.0000 -83.72305 -78.25283 5.47023 2.67128 -79.48895 1143.84390
8000.0000 -84.93811 -80.14139 4.79672 2.66250 -79.58645 1101.37790
MELTING PROCESS: loop number 33 T-loop= 1108.0000000000000
main_MD> interactions number 33 at Temperature= 1108.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79745 -0.77406 0.96470
force_rgl> df(natom) 3.03562 -0.22684 -1.52359
8005.0000 -85.61670 -81.18019 4.43650 2.62376 -80.01660 1089.78760
8010.0000 -83.12707 -77.68261 5.44446 2.66233 -79.58825 1123.65004
8015.0000 -85.11510 -79.30436 5.81074 2.70663 -79.09642 1166.49304
8020.0000 -84.14880 -78.60236 5.54644 2.73975 -78.72860 1176.73038
8025.0000 -85.25332 -78.58836 6.66496 2.67826 -79.41141 1143.89075
8030.0000 -84.41303 -78.39361 6.01942 2.71250 -79.03117 1160.55071
8035.0000 -85.93562 -79.86483 6.07078 2.65007 -79.72442 1069.12981
8040.0000 -85.80740 -80.50540 5.30199 2.60199 -80.25823 1118.46602
8045.0000 -84.49333 -79.40945 5.08388 2.64769 -79.75080 1160.19721
8050.0000 -83.84974 -78.89507 4.95467 2.71022 -79.05655 1178.20399
8055.0000 -84.59249 -77.18541 7.40708 2.76709 -78.42503 1212.74668
8060.0000 -84.30109 -78.22597 6.07512 2.87115 -77.26960 1311.72872
8065.0000 -86.12959 -79.33603 6.79356 2.74867 -78.62959 1143.36784
8070.0000 -85.33778 -79.80687 5.53090 2.67117 -79.49007 1124.54025
8075.0000 -83.53571 -79.29875 4.23696 2.72966 -78.84070 1215.70515
8080.0000 -85.15533 -79.96680 5.18853 2.68577 -79.32801 1142.30465
8085.0000 -83.29138 -78.54437 4.74702 2.65710 -79.64635 1116.87058
8090.0000 -83.22446 -77.72018 5.50428 2.84988 -77.50575 1277.43327
8095.0000 -86.04159 -79.87790 6.16369 2.71708 -78.98030 1156.86618
8100.0000 -85.24059 -79.73871 5.50188 2.66240 -79.58754 1138.70948
8105.0000 -85.11036 -79.71525 5.39512 2.61960 -80.06270 1086.24605
8110.0000 -84.06489 -78.31491 5.74998 2.71452 -79.00874 1166.39330
8115.0000 -85.13076 -80.31924 4.81152 2.69874 -79.18400 1137.54722
8120.0000 -83.80386 -78.04583 5.75803 2.75395 -78.57094 1201.68807
8125.0000 -85.19000 -79.33127 5.85873 2.69841 -79.18766 1146.92825
8130.0000 -86.28057 -80.44294 5.83763 2.56950 -80.61900 1047.72094
8135.0000 -85.92559 -81.11664 4.80896 2.55983 -80.72645 1057.29887
8140.0000 -85.25162 -79.82332 5.42830 2.57300 -80.58017 1105.98658
8145.0000 -84.73666 -78.92213 5.81452 2.63925 -79.84450 1125.71132
8150.0000 -84.59976 -78.59262 6.00714 2.68664 -79.31834 1143.46531
8155.0000 -84.71461 -80.28912 4.42549 2.65820 -79.63418 1121.58959
8160.0000 -86.56487 -81.27487 5.29000 2.54993 -80.83635 1046.77311
8165.0000 -84.67789 -78.79199 5.88589 2.64664 -79.76246 1160.87390
8170.0000 -86.22012 -81.14845 5.07166 2.59237 -80.36514 1055.67415
8175.0000 -85.66589 -79.97190 5.69399 2.56035 -80.72068 1033.00386
8180.0000 -84.98628 -80.75054 4.23574 2.61296 -80.13644 1107.56645
8185.0000 -84.33700 -79.30884 5.02817 2.56910 -80.62343 1041.86081
8190.0000 -84.23604 -79.34173 4.89431 2.68406 -79.34705 1114.49330
8195.0000 -84.12853 -80.11334 4.01519 2.67559 -79.44100 1175.18164
8200.0000 -84.48008 -78.96711 5.51298 2.70645 -79.09842 1128.53150
8205.0000 -84.98347 -80.38275 4.60072 2.74438 -78.67727 1166.73892
8210.0000 -85.04485 -80.49627 4.54858 2.56243 -80.69749 1005.42550
8215.0000 -84.89479 -80.58909 4.30570 2.60099 -80.26939 1033.11055
8220.0000 -85.75205 -80.00408 5.74797 2.60141 -80.26472 1004.01891
8225.0000 -85.60306 -81.57696 4.02610 2.55982 -80.72649 1036.11811
8230.0000 -86.10951 -80.68644 5.42307 2.51697 -81.20227 1012.13621
8235.0000 -85.61255 -81.47096 4.14160 2.55794 -80.74735 1008.85582
8240.0000 -86.31040 -81.08501 5.22539 2.44342 -82.01905 929.51267
8245.0000 -86.16910 -80.91152 5.25757 2.53807 -80.96806 993.08420
8250.0000 -84.47748 -77.78926 6.68822 2.73222 -78.81228 1179.67144
MELTING PROCESS: loop number 34 T-loop= 1133.0000000000000
main_MD> interactions number 34 at Temperature= 1133.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.22899 0.80357 -0.38644
force_rgl> df(natom) 0.58021 -0.04192 3.26633
8255.0000 -84.47953 -78.11099 6.36854 2.79179 -78.15079 1235.19224
8260.0000 -83.40947 -77.93575 5.47373 2.84332 -77.57857 1292.34546
8265.0000 -84.40921 -79.78432 4.62488 2.72268 -78.91814 1127.60701
8270.0000 -86.63626 -79.73522 6.90104 2.64133 -79.82144 1113.81492
8275.0000 -86.16591 -80.43484 5.73107 2.64049 -79.83080 1077.85793
8280.0000 -83.86838 -78.22683 5.64155 2.63762 -79.86263 1109.29560
8285.0000 -84.11543 -79.18772 4.92771 2.76067 -78.49634 1237.95612
8290.0000 -84.54105 -78.50384 6.03721 2.77801 -78.30375 1218.55473
8295.0000 -86.19134 -81.34226 4.84908 2.63452 -79.89706 1078.08552
8300.0000 -85.76644 -80.92887 4.83756 2.61887 -80.07083 1073.74674
8305.0000 -84.91796 -79.48390 5.43406 2.61772 -80.08357 1083.61957
8310.0000 -85.51567 -79.72623 5.78943 2.64497 -79.78104 1133.46503
8315.0000 -85.38286 -78.14192 7.24094 2.68984 -79.28284 1168.42337
8320.0000 -86.24372 -80.21946 6.02426 2.67279 -79.47210 1137.13032
8325.0000 -83.85174 -78.81159 5.04015 2.66586 -79.54912 1129.51089
8330.0000 -84.55018 -78.92744 5.62274 2.68451 -79.34202 1143.06398
8335.0000 -83.45172 -78.81896 4.63276 2.73594 -78.77092 1185.42936
8340.0000 -84.69613 -78.29504 6.40109 2.75672 -78.54018 1254.95001
8345.0000 -82.76980 -78.28618 4.48362 2.76822 -78.41253 1177.36077
8350.0000 -84.24607 -78.60661 5.63946 2.75356 -78.57529 1221.82686
8355.0000 -85.02590 -79.72577 5.30012 2.73607 -78.76953 1179.78795
8360.0000 -85.12300 -80.05054 5.07246 2.67492 -79.44854 1173.34998
8365.0000 -84.91095 -79.57933 5.33162 2.61825 -80.07776 1104.75112
8370.0000 -85.21284 -80.34069 4.87215 2.63283 -79.91589 1073.32887
8375.0000 -85.40306 -80.53060 4.87246 2.61029 -80.16612 1061.06981
8380.0000 -85.61955 -82.24508 3.37448 2.49568 -81.43867 988.36574
8385.0000 -86.37589 -82.21202 4.16387 2.43492 -82.11341 922.46542
8390.0000 -86.47618 -80.50162 5.97455 2.51267 -81.25005 1046.23225
8395.0000 -85.74088 -79.69276 6.04812 2.62797 -79.96981 1122.70019
8400.0000 -84.19294 -78.57756 5.61539 2.67151 -79.48637 1127.95854
8405.0000 -84.50543 -79.30777 5.19767 2.70863 -79.07422 1138.69764
8410.0000 -82.83152 -77.09754 5.73398 2.74396 -78.68185 1162.79888
8415.0000 -83.83556 -78.41476 5.42080 2.85040 -77.50005 1258.55133
8420.0000 -83.73265 -77.80267 5.92999 2.80039 -78.05533 1245.41913
8425.0000 -85.72879 -80.06108 5.66771 2.79544 -78.11027 1249.23026
8430.0000 -85.03644 -80.87808 4.15835 2.53727 -80.97696 1018.37298
8435.0000 -85.12696 -79.31483 5.81214 2.64901 -79.73623 1152.68694
8440.0000 -84.09924 -79.05327 5.04597 2.71578 -78.99477 1160.72120
8445.0000 -85.50838 -79.92102 5.58736 2.69084 -79.27169 1104.18230
8450.0000 -83.76259 -78.71835 5.04424 2.69059 -79.27454 1160.51473
8455.0000 -85.15303 -80.23599 4.91704 2.69938 -79.17692 1147.19148
8460.0000 -85.61559 -79.88517 5.73042 2.65894 -79.62590 1132.39871
8465.0000 -86.42997 -81.29629 5.13369 2.60644 -80.20882 1073.94710
8470.0000 -84.98405 -80.30584 4.67821 2.50778 -81.30434 986.47003
8475.0000 -85.53925 -79.09400 6.44525 2.61964 -80.06228 1075.48761
8480.0000 -85.18652 -80.17614 5.01039 2.70330 -79.13340 1198.98606
8485.0000 -85.84922 -79.24311 6.60611 2.58112 -80.48999 1087.57268
8490.0000 -84.26813 -79.59282 4.67531 2.67462 -79.45179 1144.52447
8495.0000 -83.30758 -77.82574 5.48184 2.75398 -78.57061 1204.91763
8500.0000 -84.20869 -78.16231 6.04638 2.76446 -78.45426 1236.61881
MELTING PROCESS: loop number 35 T-loop= 1158.0000000000000
main_MD> interactions number 35 at Temperature= 1158.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.20745 -0.30330 -5.64365
force_rgl> df(natom) -1.66479 -0.48821 3.63862
8505.0000 -85.30731 -78.82329 6.48402 2.69264 -79.25178 1128.31491
8510.0000 -85.20347 -78.58250 6.62097 2.75340 -78.57706 1147.25765
8515.0000 -84.52700 -78.37318 6.15381 2.83890 -77.62769 1283.70945
8520.0000 -84.58243 -79.70291 4.87952 2.72526 -78.88955 1132.13818
8525.0000 -82.55680 -77.47709 5.07971 2.81359 -77.90874 1232.71061
8530.0000 -83.64022 -77.22474 6.41548 2.85106 -77.49262 1268.88846
8535.0000 -82.44323 -77.34511 5.09812 2.96339 -76.24539 1375.05377
8540.0000 -84.12343 -79.12559 4.99784 2.75549 -78.55383 1198.93324
8545.0000 -84.36105 -78.70956 5.65148 2.66787 -79.52675 1145.00504
8550.0000 -83.43326 -78.24909 5.18417 2.76976 -78.39538 1204.53914
8555.0000 -83.79735 -76.80449 6.99285 2.84155 -77.59825 1286.24313
8560.0000 -84.31177 -79.50367 4.80810 2.81008 -77.94766 1221.66577
8565.0000 -84.73368 -79.61837 5.11531 2.65768 -79.63987 1144.14197
8570.0000 -84.05836 -78.83895 5.21941 2.68359 -79.35225 1109.11198
8575.0000 -84.59026 -79.01829 5.57197 2.69578 -79.21689 1176.59924
8580.0000 -83.79291 -77.77863 6.01427 2.78384 -78.23903 1277.22986
8585.0000 -83.96804 -79.01490 4.95314 2.74261 -78.69690 1141.24532
8590.0000 -85.17565 -79.72944 5.44620 2.71912 -78.95773 1150.51565
8595.0000 -85.45510 -80.21534 5.23977 2.65205 -79.70245 1105.22092
8600.0000 -84.28760 -78.78640 5.50119 2.66741 -79.53189 1104.01982
8605.0000 -84.47968 -79.23922 5.24046 2.67378 -79.46119 1099.13852
8610.0000 -84.34925 -79.25175 5.09750 2.63433 -79.89923 1057.73451
8615.0000 -83.67380 -79.50893 4.16487 2.67062 -79.49618 1123.48268
8620.0000 -85.27516 -78.68984 6.58532 2.74241 -78.69911 1242.21142
8625.0000 -86.21355 -79.86309 6.35046 2.59784 -80.30439 1089.50678
8630.0000 -84.09935 -79.25316 4.84619 2.63937 -79.84326 1107.10503
8635.0000 -85.40991 -80.30448 5.10543 2.67927 -79.40022 1131.55281
8640.0000 -85.96986 -79.87503 6.09483 2.58069 -80.49484 1068.04943
8645.0000 -84.65127 -79.97546 4.67581 2.67147 -79.48675 1160.00026
8650.0000 -86.60130 -81.88956 4.71173 2.60220 -80.25591 1039.30558
8655.0000 -85.04531 -78.21138 6.83393 2.67564 -79.44050 1145.93496
8660.0000 -84.27449 -77.23809 7.03640 2.83873 -77.62953 1246.95537
8665.0000 -85.44069 -79.17290 6.26778 2.80633 -77.98936 1237.84465
8670.0000 -84.66651 -78.89945 5.76707 2.69939 -79.17683 1150.15677
8675.0000 -85.20231 -78.96074 6.24157 2.68862 -79.29632 1151.83457
8680.0000 -84.74737 -79.80862 4.93875 2.66201 -79.59183 1139.63441
8685.0000 -85.87827 -78.40227 7.47600 2.71246 -79.03170 1209.29472
8690.0000 -83.81799 -78.40376 5.41424 2.72809 -78.85805 1221.32761
8695.0000 -85.31687 -77.32042 7.99645 2.80603 -77.99265 1216.44117
8700.0000 -85.91222 -80.46759 5.44463 2.73765 -78.75194 1171.39931
8705.0000 -85.97298 -79.27823 6.69475 2.57550 -80.55238 1075.08186
8710.0000 -86.11753 -80.01310 6.10443 2.65159 -79.70750 1147.85617
8715.0000 -84.79968 -78.74767 6.05201 2.71369 -79.01799 1212.20996
8720.0000 -85.43297 -80.00411 5.42886 2.63888 -79.84870 1073.31771
8725.0000 -85.60227 -78.99218 6.61009 2.62420 -80.01168 1076.88484
8730.0000 -84.22258 -80.40901 3.81356 2.61246 -80.14201 1069.54603
8735.0000 -86.15346 -80.80943 5.34402 2.60686 -80.20415 1087.90537
8740.0000 -85.42044 -79.82735 5.59309 2.59728 -80.31054 1055.19515
8745.0000 -86.28358 -80.28867 5.99491 2.62687 -79.98207 1098.32232
8750.0000 -84.77162 -79.90464 4.86698 2.59856 -80.29639 1052.47652
MELTING PROCESS: loop number 36 T-loop= 1183.0000000000000
main_MD> interactions number 36 at Temperature= 1183.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.34969 1.50490 0.67618
force_rgl> df(natom) -3.81859 4.45209 -0.30898
8755.0000 -84.94314 -79.50198 5.44116 2.60063 -80.27339 1083.34688
8760.0000 -84.86789 -79.06520 5.80269 2.73419 -78.79041 1201.87781
8765.0000 -84.60660 -78.52047 6.08612 2.73384 -78.79431 1194.24255
8770.0000 -84.32742 -78.64492 5.68250 2.75107 -78.60289 1197.93431
8775.0000 -84.86313 -79.91413 4.94900 2.66809 -79.52433 1151.04504
8780.0000 -85.68655 -79.78360 5.90295 2.65432 -79.67724 1152.17802
8785.0000 -86.29026 -79.95858 6.33168 2.63132 -79.93260 1106.30624
8790.0000 -85.79371 -80.51004 5.28366 2.59433 -80.34328 1034.89491
8795.0000 -86.11877 -80.72598 5.39278 2.64169 -79.81744 1096.29487
8800.0000 -86.12866 -80.58600 5.54266 2.53426 -81.01033 1051.43802
8805.0000 -85.05220 -79.90354 5.14866 2.58215 -80.47861 1058.12075
8810.0000 -85.74165 -80.03361 5.70804 2.66019 -79.61201 1107.15926
8815.0000 -83.63031 -77.52719 6.10312 2.75936 -78.51085 1211.77393
8820.0000 -84.06868 -77.92945 6.13923 2.84090 -77.60551 1239.76450
8825.0000 -84.53807 -77.93084 6.60723 2.83032 -77.72298 1222.65034
8830.0000 -83.17839 -76.46159 6.71681 2.84993 -77.50521 1281.09952
8835.0000 -84.37314 -78.16966 6.20348 2.89996 -76.94973 1309.66325
8840.0000 -84.80226 -79.52110 5.28116 2.71405 -79.01395 1182.99320
8845.0000 -84.96653 -79.24588 5.72065 2.65000 -79.72521 1119.20968
8850.0000 -84.87533 -78.94136 5.93397 2.73941 -78.73237 1188.72442
8855.0000 -85.31194 -79.17702 6.13492 2.69206 -79.25820 1133.76362
8860.0000 -83.96874 -78.83461 5.13413 2.76763 -78.41902 1248.11726
8865.0000 -85.35405 -78.93657 6.41749 2.69969 -79.17348 1117.57554
8870.0000 -83.74216 -77.96040 5.78176 2.76237 -78.47750 1193.21388
8875.0000 -84.00403 -78.01014 5.99390 2.76162 -78.48580 1153.24709
8880.0000 -83.68097 -78.16402 5.51694 2.80878 -77.96219 1214.02520
8885.0000 -81.74148 -75.08120 6.66028 2.88149 -77.15481 1353.05474
8890.0000 -84.34170 -78.15234 6.18937 2.92547 -76.66642 1329.30604
8895.0000 -86.44484 -80.86560 5.57924 2.67707 -79.42456 1166.84148
8900.0000 -84.41525 -78.50519 5.91006 2.64245 -79.80904 1103.94413
8905.0000 -85.83210 -80.26966 5.56244 2.64705 -79.75791 1141.77659
8910.0000 -83.43548 -78.51813 4.91735 2.63156 -79.92992 1123.94449
8915.0000 -82.85036 -76.41048 6.43988 2.80682 -77.98387 1210.45454
8920.0000 -84.11926 -78.13460 5.98465 2.86024 -77.39070 1236.94847
8925.0000 -85.53941 -78.71098 6.82844 2.79757 -78.08656 1281.01972
8930.0000 -85.37219 -80.27009 5.10210 2.63829 -79.85517 1122.39033
8935.0000 -85.40884 -80.65800 4.75085 2.57273 -80.58317 1061.31026
8940.0000 -83.11035 -78.33542 4.77493 2.62547 -79.99752 1085.72223
8945.0000 -84.84535 -77.84441 7.00094 2.71511 -79.00224 1161.26070
8950.0000 -85.63436 -81.18928 4.44508 2.68773 -79.30620 1164.21899
8955.0000 -84.32857 -77.71045 6.61812 2.74682 -78.65008 1181.22304
8960.0000 -84.56710 -79.21401 5.35309 2.75791 -78.52700 1140.40736
8965.0000 -84.41869 -78.93615 5.48253 2.76825 -78.41223 1201.30595
8970.0000 -86.15524 -80.70891 5.44632 2.56613 -80.65641 1056.81208
8975.0000 -86.05379 -80.22894 5.82485 2.59718 -80.31167 1110.60597
8980.0000 -84.56487 -78.88025 5.68461 2.64362 -79.79598 1127.80155
8985.0000 -83.42954 -77.05255 6.37698 2.79901 -78.07059 1225.72185
8990.0000 -83.65041 -76.32120 7.32921 2.88413 -77.12543 1290.76226
8995.0000 -84.44445 -78.32196 6.12250 2.86239 -77.36682 1251.61944
9000.0000 -85.19703 -80.03098 5.16604 2.68776 -79.30593 1152.70449
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 6 [min], 47.7319633 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink