tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/meltingSims/run_82/melt.log

2089 lines
206 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: melting
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoMelt_82.xyz
read_input> Finish reading initial positions
read_input> Validating positions
read_input> Initializing random number generator
read_input> Checking program
read_rgl> START READING FILE ../pot.pot
read_rgl>> END READING FILE ../pot.pot
READ_RGL>> atomic speciesAgAg imet1 4 imet2 4
READ_RGL>> atomic radius 1.4450000999999999 1.4450000999999999
read_rgl> PARAMETERS SELECTION
FOR IMET1 :: Ag 4
ECOH :: 2.9500000000000002 A :: 0.10308871000000000 QSI :: 1.1895434899999999
p :: 10.850000000000000 q :: 3.1800000000000002
ATOMIC RADIUS :: 1.4450000999999999
choice_pot> values:
frac = 0.12062503764379931 arete = 4.0870774781009569
choice_pot> mass is== 108.00000000000000 for elem1=
read_input> ntipo1 = 82 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1850
main_MD> Size of nv and nvoiz: 82 8200
main_MD> Size of nv and nvoiz: 82 8200
main_MD> Number of time-steps (npas) = 50000
main_MD> Number of CVs (num_cv) = 1
main_MD> Max allowed number of atoms = 2900
main_MD> Max number of atoms = 82
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> 9.2964344789842959E-003 -5.3966005324589100E-003 5.6890261106345562E-002 initial drift of cluster / NP1 for coalescence
init> 0.27218605404426882 0.31035877340380097 0.31633647584211994 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.7804466310544181E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.79584 -0.10067 -0.71346
force_rgl> df(natom) 0.05451 1.03890 -1.12501
preparo> THERMALIZATION PROCESS AT 273.67383489785578
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -209.14181353553826 2.2085733488522430 -211.35038688439050 3.6703603329604637E-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 37
MELTING PROCESS: loop number 1 T-loop= 300.00000000000000
main_MD> interactions number 1 at Temperature= 300.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.21642 -0.23674 -0.03665
force_rgl> df(natom) 0.32806 -2.63669 0.12266
5.0000 -210.82972 -208.26174 2.56797 1.75533 -208.76896 261.95804
10.0000 -211.55457 -208.51065 3.04392 1.78082 -208.28780 285.06203
15.0000 -210.79906 -208.07361 2.72545 1.77578 -208.38308 282.03146
20.0000 -211.66736 -208.33738 3.32998 1.79028 -208.10941 291.82225
25.0000 -210.84459 -207.79671 3.04788 1.79549 -208.01100 297.83241
30.0000 -210.99476 -207.90495 3.08981 1.79697 -207.98305 302.52027
35.0000 -211.25629 -208.41339 2.84290 1.78542 -208.20107 290.45781
40.0000 -211.52376 -208.26341 3.26035 1.77895 -208.32319 286.57406
45.0000 -210.89652 -207.45882 3.43769 1.80549 -207.82234 310.46456
50.0000 -211.51744 -208.81885 2.69860 1.78668 -208.17734 292.53698
55.0000 -210.91276 -207.22767 3.68509 1.79469 -208.02602 299.68063
60.0000 -211.27330 -208.15177 3.12153 1.81555 -207.63228 314.90255
65.0000 -211.22136 -208.12065 3.10072 1.79763 -207.97061 300.43314
70.0000 -210.60559 -207.61314 2.99245 1.79299 -208.05809 296.80222
75.0000 -211.42384 -208.67465 2.74918 1.79685 -207.98540 300.03893
80.0000 -211.58536 -208.80251 2.78284 1.74833 -208.90107 257.92177
85.0000 -211.20995 -208.41531 2.79464 1.76962 -208.49920 275.34631
90.0000 -210.99752 -207.91942 3.07810 1.78740 -208.16375 293.92720
95.0000 -211.49231 -208.41940 3.07290 1.79020 -208.11089 293.29593
100.0000 -210.51483 -207.09174 3.42309 1.79771 -207.96906 300.25011
105.0000 -210.87952 -207.57910 3.30042 1.83275 -207.30769 326.06068
110.0000 -211.61437 -208.27719 3.33718 1.80068 -207.91309 308.77213
115.0000 -211.29255 -208.26541 3.02714 1.79278 -208.06208 307.16161
120.0000 -211.32170 -207.48585 3.83585 1.80415 -207.84750 303.50372
125.0000 -211.44345 -208.03407 3.40939 1.80935 -207.74939 315.16747
130.0000 -210.81946 -207.71333 3.10613 1.80217 -207.88483 308.33459
135.0000 -210.37848 -207.33881 3.03967 1.80846 -207.76612 311.93863
140.0000 -211.51705 -207.86741 3.64964 1.82171 -207.51607 323.34517
145.0000 -211.20485 -208.40463 2.80021 1.78027 -208.29825 292.92005
150.0000 -211.46767 -208.72110 2.74657 1.76609 -208.56596 278.50046
155.0000 -211.54539 -207.82256 3.72283 1.77171 -208.45986 284.66992
160.0000 -211.21055 -208.43578 2.77477 1.78732 -208.16526 298.19369
165.0000 -211.53670 -208.68214 2.85455 1.75111 -208.84867 266.11726
170.0000 -210.74203 -207.71316 3.02887 1.78574 -208.19507 288.86028
175.0000 -211.43989 -208.44245 2.99744 1.77835 -208.33459 285.06807
180.0000 -210.88309 -207.67449 3.20861 1.79957 -207.93389 306.39044
185.0000 -211.44571 -207.70889 3.73682 1.81324 -207.67600 311.38429
190.0000 -211.38201 -207.99476 3.38725 1.79307 -208.05662 302.51843
195.0000 -211.19336 -208.39074 2.80262 1.77901 -208.32203 288.35141
200.0000 -211.58900 -208.45215 3.13686 1.77710 -208.35817 290.91193
205.0000 -211.98166 -208.57176 3.40990 1.76347 -208.61542 275.32585
210.0000 -211.46626 -208.73407 2.73219 1.76329 -208.61876 274.29923
215.0000 -210.80132 -207.90961 2.89170 1.77663 -208.36697 285.86168
220.0000 -211.40479 -208.04526 3.35953 1.78290 -208.24862 294.39609
225.0000 -210.83504 -207.52005 3.31498 1.80411 -207.84825 303.43096
230.0000 -211.35934 -208.02585 3.33348 1.81294 -207.68157 307.55112
235.0000 -211.29382 -208.51990 2.77393 1.78768 -208.15836 283.14652
240.0000 -211.38534 -208.42328 2.96205 1.76612 -208.56530 266.59244
245.0000 -211.24023 -208.67520 2.56503 1.76503 -208.58591 265.15217
250.0000 -211.74966 -208.81491 2.93475 1.75781 -208.72223 258.27414
MELTING PROCESS: loop number 2 T-loop= 325.00000000000000
main_MD> interactions number 2 at Temperature= 325.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.22077 0.58334 -0.79134
force_rgl> df(natom) -0.92292 0.89082 -1.63428
255.0000 -210.77056 -207.61302 3.15754 1.77322 -208.43134 273.65038
260.0000 -210.87052 -207.57296 3.29756 1.80389 -207.85252 289.24806
265.0000 -211.16632 -208.26486 2.90146 1.81583 -207.62705 308.38073
270.0000 -210.60554 -206.85695 3.74860 1.82874 -207.38340 319.59998
275.0000 -210.24377 -206.95955 3.28422 1.85993 -206.79464 342.22978
280.0000 -211.12990 -207.75265 3.37725 1.82474 -207.45886 310.65051
285.0000 -210.77511 -207.49377 3.28134 1.81129 -207.71272 310.32341
290.0000 -210.50806 -207.19641 3.31165 1.82968 -207.36574 326.29672
295.0000 -210.59118 -207.07045 3.52073 1.83568 -207.25248 334.38910
300.0000 -210.24255 -207.23192 3.01063 1.83548 -207.25625 328.48819
305.0000 -210.22504 -207.13337 3.09167 1.84682 -207.04220 337.72661
310.0000 -211.17332 -207.60478 3.56855 1.85092 -206.96484 340.25918
315.0000 -211.71525 -207.60996 4.10529 1.80839 -207.76744 319.26563
320.0000 -211.29465 -207.76560 3.52904 1.82773 -207.40246 338.83477
325.0000 -210.78003 -207.91798 2.86205 1.78756 -208.16059 302.33115
330.0000 -210.79490 -207.53112 3.26378 1.79630 -207.99568 313.51325
335.0000 -211.45565 -208.32724 3.12841 1.78716 -208.16820 310.55923
340.0000 -211.28921 -207.78480 3.50440 1.78480 -208.21268 304.71571
345.0000 -210.92694 -207.73569 3.19125 1.80116 -207.90392 321.01474
350.0000 -210.28270 -206.69017 3.59253 1.83766 -207.21496 351.78998
355.0000 -211.52422 -207.99371 3.53051 1.83472 -207.27050 343.96895
360.0000 -211.14508 -207.84419 3.30090 1.80019 -207.92235 319.98328
365.0000 -210.95658 -207.22257 3.73401 1.80302 -207.86891 321.04165
370.0000 -211.09741 -207.77897 3.31844 1.82013 -207.54592 336.55725
375.0000 -211.90489 -208.56077 3.34413 1.80244 -207.87988 322.74487
380.0000 -211.42795 -207.93719 3.49076 1.79476 -208.02470 310.10638
385.0000 -211.08329 -207.51191 3.57138 1.81793 -207.58744 332.42379
390.0000 -211.13885 -207.91855 3.22030 1.81451 -207.65204 333.44530
395.0000 -211.54960 -208.02774 3.52186 1.80144 -207.89861 323.54834
400.0000 -211.17670 -207.38812 3.78858 1.80140 -207.89952 322.30925
405.0000 -210.70385 -206.88215 3.82171 1.83961 -207.17824 348.07739
410.0000 -211.35446 -207.87675 3.47771 1.83237 -207.31499 347.45339
415.0000 -210.83419 -207.10902 3.72517 1.82206 -207.50958 337.00902
420.0000 -211.72539 -207.88126 3.84412 1.81581 -207.62738 332.41994
425.0000 -212.09214 -208.91864 3.17350 1.78362 -208.23512 306.54348
430.0000 -211.47691 -208.16889 3.30802 1.76968 -208.49808 292.06361
435.0000 -211.31414 -208.04078 3.27336 1.78374 -208.23278 303.50029
440.0000 -211.58101 -208.26132 3.31969 1.79536 -208.01339 316.04317
445.0000 -211.30245 -208.08728 3.21517 1.78145 -208.27600 303.07994
450.0000 -211.19207 -207.77878 3.41329 1.79884 -207.94772 314.67950
455.0000 -210.96116 -207.61375 3.34741 1.81537 -207.63582 333.38600
460.0000 -211.63350 -208.30374 3.32976 1.79659 -207.99020 318.32113
465.0000 -211.08062 -207.77130 3.30932 1.79504 -208.01944 315.48209
470.0000 -211.38541 -208.30029 3.08513 1.79526 -208.01534 315.71445
475.0000 -210.88264 -207.53614 3.34650 1.79941 -207.93693 317.74237
480.0000 -211.08949 -207.68672 3.40277 1.81776 -207.59068 331.83362
485.0000 -211.08091 -207.93712 3.14378 1.82340 -207.48423 338.06973
490.0000 -211.36582 -208.11750 3.24833 1.81554 -207.63248 331.10946
495.0000 -211.22756 -207.98852 3.23905 1.78871 -208.13900 307.25481
500.0000 -210.99575 -207.91118 3.08457 1.79125 -208.09100 309.97389
MELTING PROCESS: loop number 3 T-loop= 350.00000000000000
main_MD> interactions number 3 at Temperature= 350.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.77488 1.63914 0.92807
force_rgl> df(natom) -1.71638 2.46863 4.57736
505.0000 -210.88585 -207.05279 3.83306 1.84046 -207.16217 353.34534
510.0000 -210.73860 -206.92252 3.81609 1.84206 -207.13209 353.32368
515.0000 -210.88746 -207.56837 3.31909 1.83279 -207.30702 343.96342
520.0000 -210.84422 -207.33688 3.50734 1.82429 -207.46738 339.14554
525.0000 -211.39346 -207.73601 3.65745 1.83576 -207.25097 351.32242
530.0000 -210.73973 -206.81930 3.92043 1.85316 -206.92252 361.09918
535.0000 -210.62551 -206.45689 4.16862 1.86521 -206.69515 372.03734
540.0000 -211.16061 -207.51103 3.64958 1.85743 -206.84191 363.97439
545.0000 -210.22980 -206.72305 3.50675 1.83564 -207.25317 348.61621
550.0000 -211.38793 -207.50521 3.88273 1.83341 -207.29535 351.88527
555.0000 -211.45004 -207.88410 3.56595 1.81710 -207.60304 334.20739
560.0000 -210.71886 -207.15976 3.55911 1.83549 -207.25599 344.79864
565.0000 -210.64237 -206.32352 4.31885 1.86465 -206.70572 368.88832
570.0000 -210.26720 -206.29016 3.97704 1.87550 -206.50078 379.39645
575.0000 -210.96473 -207.78676 3.17798 1.86115 -206.77172 367.62922
580.0000 -211.25025 -207.57588 3.67437 1.81927 -207.56214 329.04383
585.0000 -210.90553 -207.07104 3.83448 1.82956 -207.36793 341.94266
590.0000 -210.29365 -206.68273 3.61091 1.84397 -207.09603 355.13167
595.0000 -210.77534 -207.32604 3.44930 1.82919 -207.37484 340.61571
600.0000 -211.21003 -207.64974 3.56030 1.79788 -207.96582 318.97408
605.0000 -210.76547 -207.43259 3.33287 1.84564 -207.06447 359.80376
610.0000 -210.86027 -207.24495 3.61533 1.82510 -207.45217 339.55601
615.0000 -210.91697 -207.65629 3.26068 1.82198 -207.51106 336.64967
620.0000 -211.14283 -207.48487 3.65795 1.80639 -207.80522 325.15784
625.0000 -211.14756 -207.69894 3.44863 1.82103 -207.52887 336.58017
630.0000 -210.60546 -207.26810 3.33736 1.80772 -207.78015 323.73266
635.0000 -209.96902 -205.74729 4.22172 1.87983 -206.41917 384.00598
640.0000 -210.14659 -206.02161 4.12498 1.90192 -206.00221 403.32771
645.0000 -211.35126 -208.31078 3.04048 1.85924 -206.80766 370.71393
650.0000 -211.16085 -207.38974 3.77112 1.80223 -207.88372 322.93026
655.0000 -211.06388 -207.27589 3.78800 1.81918 -207.56381 334.97332
660.0000 -210.53651 -207.32646 3.21005 1.82984 -207.36264 343.01318
665.0000 -210.90069 -206.73875 4.16194 1.84602 -207.05727 356.02096
670.0000 -210.42420 -206.26853 4.15567 1.87895 -206.43578 379.33994
675.0000 -210.91477 -207.15660 3.75817 1.86167 -206.76179 371.16837
680.0000 -210.75151 -206.88505 3.86646 1.84494 -207.07757 350.45110
685.0000 -210.90977 -207.43102 3.47875 1.84521 -207.07251 355.23777
690.0000 -211.01410 -208.14661 2.86749 1.79134 -208.08926 312.59618
695.0000 -211.07491 -207.46495 3.60996 1.80212 -207.88583 320.96619
700.0000 -210.51219 -207.64247 2.86973 1.81385 -207.66451 331.78402
705.0000 -210.58782 -207.12557 3.46226 1.81887 -207.56978 333.64388
710.0000 -211.02540 -207.50308 3.52232 1.83110 -207.33881 343.67001
715.0000 -211.32036 -207.76712 3.55323 1.82969 -207.36547 343.67025
720.0000 -211.18212 -208.10339 3.07873 1.82393 -207.47412 339.69827
725.0000 -211.46730 -207.92121 3.54609 1.79030 -208.10899 311.24886
730.0000 -211.16014 -207.57766 3.58247 1.81374 -207.66661 335.31755
735.0000 -210.66654 -206.85191 3.81463 1.83806 -207.20751 352.40121
740.0000 -210.33677 -205.89436 4.44240 1.87780 -206.45752 382.16079
745.0000 -210.67843 -206.53045 4.14798 1.88658 -206.29180 392.42674
750.0000 -210.45236 -206.42191 4.03045 1.89454 -206.14143 395.54877
MELTING PROCESS: loop number 4 T-loop= 375.00000000000000
main_MD> interactions number 4 at Temperature= 375.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.27724 0.60342 1.05861
force_rgl> df(natom) 1.45932 -0.80262 -0.87640
755.0000 -210.47983 -206.56322 3.91660 1.87375 -206.53396 377.27291
760.0000 -210.58706 -207.44700 3.14006 1.83678 -207.23167 345.90451
765.0000 -210.23487 -206.13378 4.10109 1.85327 -206.92038 362.32574
770.0000 -210.74021 -206.10655 4.63367 1.87832 -206.44754 384.91643
775.0000 -209.91322 -206.17451 3.73871 1.90239 -205.99336 402.25740
780.0000 -210.50102 -206.16435 4.33667 1.88726 -206.27881 389.38045
785.0000 -210.13156 -206.18601 3.94555 1.90277 -205.98612 397.80879
790.0000 -210.78037 -207.13282 3.64755 1.87772 -206.45894 384.25822
795.0000 -211.22128 -206.70380 4.51748 1.86220 -206.75196 366.75562
800.0000 -210.43604 -206.65435 3.78169 1.84994 -206.98319 362.29357
805.0000 -210.13845 -206.78027 3.35818 1.86733 -206.65512 377.31794
810.0000 -210.78276 -206.70052 4.08224 1.86002 -206.79295 367.43888
815.0000 -210.01009 -205.80852 4.20157 1.87683 -206.47573 375.57453
820.0000 -209.84913 -205.98608 3.86306 1.89651 -206.10434 398.83502
825.0000 -210.70381 -206.39581 4.30800 1.88247 -206.36933 388.52885
830.0000 -210.37769 -206.64099 3.73670 1.85877 -206.81665 362.36833
835.0000 -210.29317 -205.77397 4.51920 1.89064 -206.21513 394.02334
840.0000 -210.78518 -206.72496 4.06022 1.88388 -206.34258 387.27660
845.0000 -210.97666 -206.55649 4.42017 1.85191 -206.94600 364.64748
850.0000 -210.83335 -206.87429 3.95905 1.86918 -206.62014 381.43425
855.0000 -210.89465 -207.27330 3.62135 1.82113 -207.52697 335.62837
860.0000 -211.25114 -207.66671 3.58443 1.82855 -207.38693 341.02567
865.0000 -211.11150 -207.14954 3.96195 1.83253 -207.31195 346.83513
870.0000 -210.62004 -206.39163 4.22841 1.84908 -206.99941 359.56126
875.0000 -210.91482 -206.46528 4.44954 1.86484 -206.70213 372.67445
880.0000 -210.50718 -206.48330 4.02389 1.88801 -206.26473 391.15311
885.0000 -210.40867 -206.47192 3.93675 1.87349 -206.53869 380.98420
890.0000 -210.09377 -205.95841 4.13536 1.90273 -205.98688 407.49130
895.0000 -211.14063 -207.42772 3.71291 1.87451 -206.51951 373.58907
900.0000 -210.59963 -206.34270 4.25693 1.86503 -206.69837 365.69159
905.0000 -210.24471 -206.79799 3.44672 1.86324 -206.73217 369.47205
910.0000 -210.69709 -207.47512 3.22197 1.84010 -207.16908 353.71576
915.0000 -210.72796 -207.83837 2.88959 1.81331 -207.67461 330.38378
920.0000 -211.03221 -207.06568 3.96653 1.81965 -207.55502 334.68592
925.0000 -210.85063 -206.18767 4.66296 1.85798 -206.83144 361.40209
930.0000 -210.27842 -205.95488 4.32354 1.88665 -206.29036 386.66087
935.0000 -210.51372 -205.88392 4.62979 1.91382 -205.77757 408.55458
940.0000 -209.31740 -205.75161 3.56578 1.92803 -205.50937 427.46122
945.0000 -210.67430 -206.51830 4.15600 1.90131 -206.01370 401.58221
950.0000 -210.98200 -206.94701 4.03499 1.86504 -206.69828 372.71578
955.0000 -210.32753 -207.08035 3.24718 1.86403 -206.71729 368.97677
960.0000 -211.20704 -207.67559 3.53145 1.82481 -207.45765 336.31062
965.0000 -211.34611 -207.93492 3.41120 1.83550 -207.25582 347.89108
970.0000 -211.35520 -207.74611 3.60909 1.81432 -207.65556 331.15161
975.0000 -210.68706 -206.99708 3.68998 1.84222 -207.12905 358.54259
980.0000 -210.61606 -205.88872 4.72734 1.87754 -206.46232 383.44263
985.0000 -210.02748 -205.90350 4.12398 1.91849 -205.68933 412.18068
990.0000 -211.06648 -207.39699 3.66949 1.85265 -206.93214 363.30079
995.0000 -210.57194 -206.45204 4.11990 1.84911 -206.99899 360.93634
1000.0000 -209.91299 -205.14414 4.76884 1.89914 -206.05462 404.90507
MELTING PROCESS: loop number 5 T-loop= 400.00000000000000
main_MD> interactions number 5 at Temperature= 400.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.81113 0.38705 -0.03041
force_rgl> df(natom) -2.72298 1.78327 -0.12054
1005.0000 -209.63092 -205.10521 4.52571 1.95500 -205.00026 448.00784
1010.0000 -209.68811 -204.90405 4.78406 1.94999 -205.09495 433.74249
1015.0000 -210.01887 -204.79704 5.22183 1.95339 -205.03066 438.55078
1020.0000 -209.17008 -204.38710 4.78298 1.97069 -204.70410 455.92527
1025.0000 -209.36635 -204.24269 5.12367 1.99919 -204.16621 472.06880
1030.0000 -209.40650 -204.18664 5.21986 1.95440 -205.01162 429.76114
1035.0000 -209.39527 -204.69162 4.70365 1.96838 -204.74774 440.32253
1040.0000 -210.48205 -206.36586 4.11619 1.93517 -205.37452 418.06410
1045.0000 -209.64311 -205.39291 4.25021 1.90402 -205.96261 409.00371
1050.0000 -210.01001 -205.38362 4.62639 1.92795 -205.51092 426.83488
1055.0000 -210.84788 -206.05356 4.79432 1.91717 -205.71441 416.59280
1060.0000 -210.59315 -206.44303 4.15012 1.88249 -206.36897 389.90582
1065.0000 -210.03810 -205.82221 4.21589 1.88811 -206.26279 391.46986
1070.0000 -209.55514 -205.49880 4.05634 1.91708 -205.71599 414.17906
1075.0000 -209.89384 -205.85746 4.03637 1.92927 -205.48595 420.10733
1080.0000 -210.50171 -206.41640 4.08531 1.89059 -206.21602 395.91649
1085.0000 -209.50506 -205.66162 3.84344 1.88729 -206.27835 383.88756
1090.0000 -210.14498 -205.53838 4.60661 1.91314 -205.79042 401.21488
1095.0000 -210.66265 -206.54067 4.12198 1.88676 -206.28838 376.23690
1100.0000 -209.50450 -205.48347 4.02103 1.92797 -205.51045 416.22733
1105.0000 -210.27982 -206.22118 4.05864 1.89460 -206.14036 391.92047
1110.0000 -210.01296 -205.91210 4.10086 1.90031 -206.03257 379.35693
1115.0000 -209.83969 -204.96488 4.87481 1.92466 -205.57303 404.75149
1120.0000 -210.04908 -206.36117 3.68791 1.91707 -205.71627 392.87113
1125.0000 -209.74373 -205.46481 4.27892 1.90432 -205.95682 377.58037
1130.0000 -209.88531 -205.82826 4.05705 1.91091 -205.83249 388.16681
1135.0000 -209.53988 -205.45520 4.08468 1.91443 -205.76597 402.12095
1140.0000 -210.20932 -205.88796 4.32136 1.90646 -205.91650 407.87093
1145.0000 -211.11814 -206.97291 4.14523 1.88471 -206.32705 382.79303
1150.0000 -210.16229 -205.69891 4.46338 1.86659 -206.66907 369.22478
1155.0000 -210.55066 -206.36186 4.18880 1.91123 -205.82637 407.77289
1160.0000 -210.50917 -205.60573 4.90344 1.88526 -206.31657 384.35101
1165.0000 -210.03402 -206.00242 4.03160 1.91746 -205.70893 407.92352
1170.0000 -209.86848 -205.79796 4.07052 1.89398 -206.15209 382.39805
1175.0000 -210.12737 -205.49891 4.62846 1.91879 -205.68383 409.77981
1180.0000 -209.58815 -205.31605 4.27209 1.92836 -205.50311 417.42485
1185.0000 -210.85390 -207.06161 3.79230 1.89988 -206.04060 396.62465
1190.0000 -210.60201 -206.45507 4.14694 1.86600 -206.68009 372.71150
1195.0000 -209.88938 -206.00221 3.88717 1.89669 -206.10094 393.23849
1200.0000 -209.66217 -205.39762 4.26456 1.91834 -205.69221 414.45072
1205.0000 -209.78597 -205.86835 3.91762 1.90507 -205.94264 401.08645
1210.0000 -210.09993 -205.89152 4.20841 1.91612 -205.73418 418.68065
1215.0000 -210.17350 -206.30460 3.86889 1.90570 -205.93091 405.24860
1220.0000 -211.24248 -207.05143 4.19105 1.86670 -206.66686 376.63760
1225.0000 -210.76713 -206.70526 4.06187 1.86587 -206.68264 374.91223
1230.0000 -210.48693 -206.58248 3.90446 1.85483 -206.89088 365.65507
1235.0000 -210.68366 -206.53996 4.14370 1.87452 -206.51941 376.59670
1240.0000 -210.71344 -206.70013 4.01331 1.88373 -206.34551 385.49882
1245.0000 -210.50701 -206.24593 4.26107 1.89083 -206.21158 387.96090
1250.0000 -210.21047 -206.10586 4.10461 1.89660 -206.10251 393.39056
MELTING PROCESS: loop number 6 T-loop= 425.00000000000000
main_MD> interactions number 6 at Temperature= 425.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.46048 -0.27114 -1.55814
force_rgl> df(natom) 0.30680 -0.91711 0.45638
1255.0000 -210.44872 -206.04841 4.40030 1.89899 -206.05740 401.81232
1260.0000 -210.55781 -206.36064 4.19717 1.89518 -206.12935 398.90117
1265.0000 -209.91148 -205.85863 4.05286 1.91764 -205.70544 412.65444
1270.0000 -210.12463 -205.55212 4.57251 1.93649 -205.34965 430.17065
1275.0000 -210.06175 -206.31435 3.74740 1.89596 -206.11469 395.82746
1280.0000 -210.76746 -207.24265 3.52481 1.86527 -206.69400 376.16208
1285.0000 -210.93654 -206.71035 4.22619 1.85228 -206.93911 366.30713
1290.0000 -210.12757 -205.67900 4.44858 1.88756 -206.27326 390.10309
1295.0000 -209.62975 -204.78944 4.84031 1.95999 -204.90605 443.09572
1300.0000 -210.27212 -206.69083 3.58128 1.93349 -205.40623 428.52579
1305.0000 -210.49345 -205.34228 5.15117 1.89493 -206.13406 391.18639
1310.0000 -209.71885 -204.91781 4.80104 1.94842 -205.12452 431.88847
1315.0000 -209.82663 -204.97314 4.85349 1.96555 -204.80126 451.06716
1320.0000 -209.67147 -205.19738 4.47409 1.96791 -204.75660 457.04457
1325.0000 -209.68641 -205.27703 4.40938 1.93960 -205.29094 428.94301
1330.0000 -210.14193 -205.81872 4.32321 1.92445 -205.57694 416.62569
1335.0000 -209.24478 -205.02815 4.21663 1.91747 -205.70876 416.64945
1340.0000 -209.80392 -204.90866 4.89526 1.97119 -204.69481 448.37841
1345.0000 -209.85809 -205.33340 4.52469 1.94195 -205.24658 435.96896
1350.0000 -210.22029 -205.85903 4.36126 1.92022 -205.65680 414.17897
1355.0000 -209.71956 -206.27506 3.44450 1.89931 -206.05143 395.63998
1360.0000 -210.01048 -205.20926 4.80122 1.93213 -205.43205 418.00049
1365.0000 -209.15166 -204.67089 4.48076 1.95251 -205.04725 435.78504
1370.0000 -209.78515 -205.35474 4.43042 1.96101 -204.88679 446.20953
1375.0000 -210.14878 -205.61790 4.53089 1.91015 -205.84689 410.10716
1380.0000 -210.22795 -205.73998 4.48797 1.91142 -205.82290 413.54072
1385.0000 -209.82221 -205.27542 4.54680 1.92673 -205.53383 418.11977
1390.0000 -209.54466 -205.92957 3.61509 1.93976 -205.28791 423.71246
1395.0000 -210.42950 -205.71857 4.71093 1.91877 -205.68421 410.94779
1400.0000 -209.76903 -205.63374 4.13529 1.91475 -205.76005 410.56230
1405.0000 -209.97968 -205.43610 4.54358 1.90629 -205.91964 407.21408
1410.0000 -209.64957 -205.71860 3.93097 1.92062 -205.64913 414.47523
1415.0000 -210.50948 -206.24112 4.26836 1.90601 -205.92489 407.85187
1420.0000 -210.49301 -206.78949 3.70352 1.89786 -206.07881 402.23034
1425.0000 -209.69381 -205.39447 4.29934 1.88405 -206.33947 391.08318
1430.0000 -209.30951 -204.57283 4.73668 1.98638 -204.40802 466.77412
1435.0000 -209.34804 -204.79851 4.54953 1.97937 -204.54025 453.18069
1440.0000 -209.78942 -205.08292 4.70650 1.97225 -204.67475 448.86392
1445.0000 -210.29463 -205.08149 5.21314 1.96118 -204.88368 445.32039
1450.0000 -209.79892 -205.32832 4.47060 1.94323 -205.22251 425.93467
1455.0000 -209.64670 -205.51511 4.13159 1.92779 -205.51380 414.31974
1460.0000 -210.07805 -205.36212 4.71594 1.95532 -204.99432 428.48508
1465.0000 -209.92926 -204.96361 4.96565 1.91619 -205.73277 403.03238
1470.0000 -209.38568 -204.57108 4.81459 1.96783 -204.75808 456.33447
1475.0000 -209.19301 -204.88451 4.30850 1.97019 -204.71364 452.59797
1480.0000 -209.64110 -205.31468 4.32642 1.94073 -205.26969 412.56048
1485.0000 -209.76114 -205.12769 4.63345 1.95608 -204.98000 424.08433
1490.0000 -209.32316 -204.20007 5.12309 1.99081 -204.32442 449.89442
1495.0000 -208.66927 -204.12585 4.54343 2.01058 -203.95131 464.87955
1500.0000 -208.83851 -203.45239 5.38612 1.99367 -204.27039 444.81798
MELTING PROCESS: loop number 7 T-loop= 450.00000000000000
main_MD> interactions number 7 at Temperature= 450.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.21541 1.59708 -0.46887
force_rgl> df(natom) -0.19030 0.12819 1.85451
1505.0000 -209.17805 -204.39182 4.78624 1.98555 -204.42364 450.80796
1510.0000 -207.74250 -202.54714 5.19537 2.01526 -203.86294 471.69628
1515.0000 -208.91354 -203.70680 5.20674 2.05881 -203.04103 477.01328
1520.0000 -208.21893 -203.77730 4.44163 2.01600 -203.84889 443.65061
1525.0000 -208.48747 -203.67853 4.80895 1.99529 -204.23993 428.19998
1530.0000 -208.43920 -203.55109 4.88811 2.00892 -203.98257 442.11149
1535.0000 -208.90091 -203.75297 5.14794 1.99195 -204.30298 435.72843
1540.0000 -208.57490 -203.65644 4.91846 2.02444 -203.68963 466.35643
1545.0000 -209.24420 -205.00175 4.24245 1.99808 -204.18711 440.67413
1550.0000 -209.08612 -203.61395 5.47217 1.99992 -204.15243 448.62278
1555.0000 -209.25893 -204.05813 5.20080 2.00784 -204.00290 458.13281
1560.0000 -208.83537 -203.89815 4.93722 2.00067 -204.13832 464.30220
1565.0000 -208.91741 -204.26861 4.64880 2.01089 -203.94542 470.87557
1570.0000 -209.20297 -203.81137 5.39159 1.99531 -204.23948 466.08051
1575.0000 -208.33142 -203.40940 4.92202 2.05040 -203.19967 509.02571
1580.0000 -208.49791 -202.46456 6.03335 2.06693 -202.88763 500.47425
1585.0000 -208.47531 -203.53468 4.94062 2.03482 -203.49382 464.24876
1590.0000 -208.83473 -203.75273 5.08201 2.01149 -203.93408 425.61121
1595.0000 -208.27981 -204.30589 3.97391 1.99652 -204.21657 431.29639
1600.0000 -207.98103 -202.56952 5.41151 2.03445 -203.50065 450.19696
1605.0000 -208.07052 -203.79410 4.27642 2.08665 -202.51550 493.20462
1610.0000 -207.90931 -203.19831 4.71100 2.03825 -203.42909 457.92962
1615.0000 -207.59844 -203.22800 4.37044 2.03866 -203.42126 445.14145
1620.0000 -208.61890 -204.00847 4.61044 2.01540 -203.86034 426.12471
1625.0000 -208.34320 -203.90477 4.43842 1.99941 -204.16211 414.07173
1630.0000 -207.29171 -203.04632 4.24540 2.04607 -203.28136 441.19856
1635.0000 -207.41756 -203.35978 4.05777 2.05144 -203.17996 444.35037
1640.0000 -208.64998 -203.61204 5.03794 2.03320 -203.52437 427.60906
1645.0000 -208.35567 -204.05053 4.30513 2.04282 -203.34285 443.37019
1650.0000 -208.05872 -203.89876 4.15996 2.02661 -203.64870 433.45734
1655.0000 -208.81350 -204.60588 4.20762 2.00103 -204.13152 410.98369
1660.0000 -207.93340 -203.28675 4.64665 2.01513 -203.86531 439.72637
1665.0000 -208.96983 -204.21576 4.75406 2.03857 -203.42304 451.68411
1670.0000 -207.57517 -203.19790 4.37726 2.02108 -203.75303 442.43484
1675.0000 -207.85401 -203.85979 3.99422 2.03729 -203.44704 451.84066
1680.0000 -208.41406 -203.36019 5.05387 2.04904 -203.22536 461.48200
1685.0000 -208.50112 -203.62940 4.87172 2.03659 -203.46031 450.20462
1690.0000 -209.76275 -204.82103 4.94173 1.98736 -204.38958 417.87844
1695.0000 -208.57776 -203.46145 5.11631 1.99892 -204.17137 434.56615
1700.0000 -208.56643 -204.20783 4.35861 1.98795 -204.37849 425.64291
1705.0000 -209.15997 -205.03180 4.12817 1.97701 -204.58494 420.39548
1710.0000 -208.23761 -203.74619 4.49142 1.99520 -204.24150 423.55858
1715.0000 -207.36621 -202.54263 4.82358 2.06021 -203.01459 463.73875
1720.0000 -209.21607 -204.32563 4.89044 2.04604 -203.28200 457.39768
1725.0000 -209.19720 -204.46564 4.73156 2.00006 -204.14975 437.08943
1730.0000 -209.45308 -204.64009 4.81299 1.99757 -204.19681 440.66582
1735.0000 -208.23583 -202.97367 5.26216 2.00368 -204.08148 447.41665
1740.0000 -206.88946 -202.58875 4.30070 2.05936 -203.03061 470.33327
1745.0000 -207.63689 -202.41272 5.22417 2.07065 -202.81751 479.51316
1750.0000 -207.63277 -202.40334 5.22943 2.08856 -202.47942 491.41973
MELTING PROCESS: loop number 8 T-loop= 475.00000000000000
main_MD> interactions number 8 at Temperature= 475.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.61542 3.07842 -4.11796
force_rgl> df(natom) -0.04855 -1.91689 -1.22812
1755.0000 -207.80410 -202.11695 5.68715 2.11224 -202.03248 514.41639
1760.0000 -208.12725 -203.00053 5.12672 2.09287 -202.39816 489.40711
1765.0000 -208.03474 -202.80537 5.22938 2.06029 -203.01302 481.33893
1770.0000 -207.86962 -202.48273 5.38688 2.03827 -203.42859 460.57124
1775.0000 -207.54131 -202.03736 5.50395 2.08182 -202.60661 496.81252
1780.0000 -207.72914 -202.66112 5.06802 2.10801 -202.11240 506.80322
1785.0000 -207.44729 -202.27637 5.17092 2.09777 -202.30563 497.37527
1790.0000 -208.08878 -203.03335 5.05543 2.05620 -203.09015 469.22853
1795.0000 -207.47123 -203.05391 4.41731 2.05333 -203.14432 481.02129
1800.0000 -207.53940 -202.25923 5.28017 2.07631 -202.71062 508.70186
1805.0000 -208.04831 -203.45631 4.59199 2.05614 -203.09137 481.57870
1810.0000 -207.74606 -203.14833 4.59773 2.04417 -203.31727 457.62590
1815.0000 -208.42398 -203.38215 5.04183 2.04573 -203.28789 473.07897
1820.0000 -208.54655 -203.55937 4.98718 2.00081 -204.13560 451.77511
1825.0000 -207.99487 -202.24625 5.74862 2.05266 -203.15694 491.59884
1830.0000 -208.90536 -203.13579 5.76957 2.08913 -202.46874 532.96025
1835.0000 -208.32682 -203.32398 5.00284 2.03259 -203.53590 480.21721
1840.0000 -209.02273 -203.95798 5.06475 2.01618 -203.84555 468.93434
1845.0000 -208.54825 -203.65859 4.88966 2.01682 -203.83347 465.75355
1850.0000 -208.22988 -204.19454 4.03534 2.01302 -203.90524 453.71125
1855.0000 -209.01024 -203.12296 5.88728 2.00437 -204.06840 452.28719
1860.0000 -209.92537 -205.22060 4.70477 2.00314 -204.09167 445.19317
1865.0000 -207.61496 -202.76498 4.84998 2.00185 -204.11605 453.56629
1870.0000 -208.08373 -202.81090 5.27282 2.07734 -202.69125 514.97115
1875.0000 -209.41182 -203.52138 5.89044 2.05641 -203.08628 492.25292
1880.0000 -209.13997 -204.39695 4.74302 1.98749 -204.38712 449.21325
1885.0000 -209.27104 -204.57957 4.69146 1.95837 -204.93680 415.03213
1890.0000 -207.73670 -202.37944 5.35726 2.01614 -203.84624 455.80166
1895.0000 -208.36390 -203.66123 4.70267 2.03942 -203.40696 467.24583
1900.0000 -207.83060 -202.77945 5.05114 2.05950 -203.02783 481.39087
1905.0000 -207.30640 -203.13459 4.17181 2.08939 -202.46373 483.59868
1910.0000 -208.59486 -203.72137 4.87348 2.04774 -203.24991 454.92530
1915.0000 -208.24146 -203.72960 4.51186 2.01347 -203.89666 428.27936
1920.0000 -207.44487 -203.41065 4.03422 2.04276 -203.34390 470.48246
1925.0000 -208.60374 -203.24020 5.36354 2.04969 -203.21307 480.48513
1930.0000 -207.78882 -202.70032 5.08850 2.08125 -202.61736 508.56518
1935.0000 -207.94758 -203.41533 4.53224 2.05046 -203.19852 491.53368
1940.0000 -208.01678 -202.21131 5.80547 2.06958 -202.83776 502.59290
1945.0000 -208.74028 -202.89542 5.84486 2.10322 -202.20272 505.95222
1950.0000 -209.30427 -204.42486 4.87941 2.00680 -204.02258 459.84193
1955.0000 -209.39227 -204.80412 4.58815 1.99106 -204.31975 457.60569
1960.0000 -209.18856 -204.41321 4.77536 1.96209 -204.86656 434.73303
1965.0000 -208.43364 -204.15781 4.27583 2.01100 -203.94336 470.01994
1970.0000 -207.97103 -202.73079 5.24024 2.00830 -203.99431 460.12453
1975.0000 -208.82162 -202.98430 5.83732 2.06694 -202.88748 512.73811
1980.0000 -208.58355 -203.34572 5.23783 2.04861 -203.23352 499.42537
1985.0000 -209.18521 -203.77993 5.40528 2.03477 -203.49461 489.86241
1990.0000 -209.92556 -205.40086 4.52470 1.97674 -204.59000 449.52500
1995.0000 -208.97406 -204.73706 4.23699 1.94575 -205.17493 427.13662
2000.0000 -209.33782 -204.58283 4.75498 1.95921 -204.92083 437.32957
MELTING PROCESS: loop number 9 T-loop= 500.00000000000000
main_MD> interactions number 9 at Temperature= 500.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.83041 0.21126 -0.03817
force_rgl> df(natom) 0.05261 0.99556 0.58594
2005.0000 -209.00056 -204.35185 4.64871 1.98406 -204.45183 454.49768
2010.0000 -207.64128 -202.52764 5.11364 2.03650 -203.46213 502.54063
2015.0000 -209.34958 -203.95249 5.39709 2.04392 -203.32196 513.22525
2020.0000 -208.58337 -203.85701 4.72635 2.02764 -203.62927 500.32258
2025.0000 -208.44510 -203.42538 5.01972 1.99530 -204.23962 472.10091
2030.0000 -208.25885 -202.34365 5.91520 2.04447 -203.31154 510.17533
2035.0000 -208.32454 -202.65237 5.67218 2.05358 -203.13958 508.49467
2040.0000 -208.60328 -203.33692 5.26637 2.07584 -202.71954 529.10038
2045.0000 -208.28299 -202.52054 5.76245 2.05509 -203.11121 510.44123
2050.0000 -209.39809 -203.67223 5.72586 2.05077 -203.19275 508.53249
2055.0000 -208.54181 -204.43548 4.10633 2.01175 -203.92922 482.97333
2060.0000 -207.85252 -203.10441 4.74811 2.06278 -202.96593 512.87020
2065.0000 -208.58417 -203.75270 4.83147 2.02363 -203.70495 477.65039
2070.0000 -208.40353 -202.90505 5.49848 2.06822 -202.86331 514.69819
2075.0000 -207.73015 -202.29628 5.43387 2.05820 -203.05249 495.69381
2080.0000 -208.84739 -203.39303 5.45436 2.07008 -202.82825 510.55065
2085.0000 -207.48025 -202.10140 5.37885 2.09063 -202.44045 522.95597
2090.0000 -208.22239 -202.84493 5.37746 2.09776 -202.30581 508.99162
2095.0000 -207.64066 -201.72816 5.91250 2.10945 -202.08524 512.51076
2100.0000 -206.49603 -200.77711 5.71891 2.17486 -200.85053 569.82068
2105.0000 -207.08872 -202.04884 5.03987 2.13761 -201.55367 513.67485
2110.0000 -207.20959 -202.69377 4.51582 2.10053 -202.25347 482.05658
2115.0000 -208.05890 -203.40783 4.65107 2.05635 -203.08743 453.83618
2120.0000 -207.74739 -202.43980 5.30760 2.06496 -202.92482 466.93304
2125.0000 -208.75246 -203.57196 5.18050 2.06827 -202.86239 497.34075
2130.0000 -209.13552 -204.04987 5.08565 2.03987 -203.39847 476.91335
2135.0000 -208.46374 -203.43752 5.02622 2.01414 -203.88408 463.48836
2140.0000 -207.61657 -202.49110 5.12547 2.06028 -203.01314 490.46048
2145.0000 -208.56273 -203.49248 5.07025 2.06689 -202.88846 488.79078
2150.0000 -208.44113 -202.59735 5.84378 2.06747 -202.87747 515.22135
2155.0000 -208.72464 -203.27886 5.44578 2.03684 -203.45560 487.70471
2160.0000 -208.79940 -203.40635 5.39306 2.04499 -203.30185 492.69733
2165.0000 -208.60641 -204.02023 4.58618 2.04773 -203.25014 498.91487
2170.0000 -208.00582 -202.99948 5.00634 2.00871 -203.98664 466.65114
2175.0000 -207.36682 -201.64949 5.71734 2.10278 -202.21110 523.90345
2180.0000 -207.81795 -201.66707 6.15088 2.13079 -201.68239 531.06457
2185.0000 -207.61372 -202.16895 5.44477 2.12749 -201.74459 539.06457
2190.0000 -208.02993 -203.09262 4.93731 2.08000 -202.64109 520.11452
2195.0000 -208.01816 -202.58450 5.43366 2.07783 -202.68200 520.55166
2200.0000 -207.66609 -202.76247 4.90363 2.08740 -202.50139 543.28412
2205.0000 -208.43101 -203.82556 4.60545 2.03927 -203.40977 488.72903
2210.0000 -209.39582 -203.39919 5.99663 2.01190 -203.92644 468.37173
2215.0000 -207.68411 -202.36837 5.31573 2.07278 -202.77720 505.59975
2220.0000 -207.61195 -201.41061 6.20134 2.09253 -202.40451 510.88982
2225.0000 -208.08875 -202.06734 6.02141 2.11141 -202.04817 525.48121
2230.0000 -206.71105 -202.50976 4.20130 2.10803 -202.11196 512.02475
2235.0000 -207.90799 -202.61187 5.29612 2.07971 -202.64654 505.90169
2240.0000 -209.00716 -203.00283 6.00433 2.08404 -202.56478 518.15999
2245.0000 -208.54902 -203.33747 5.21155 2.07447 -202.74543 513.34024
2250.0000 -208.54055 -203.63474 4.90581 2.05575 -203.09863 496.08884
MELTING PROCESS: loop number 10 T-loop= 525.00000000000000
main_MD> interactions number 10 at Temperature= 525.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.19297 -0.65248 -0.45769
force_rgl> df(natom) 0.24366 -0.82074 -0.61187
2255.0000 -208.93070 -203.79358 5.13712 2.01107 -203.94205 462.95394
2260.0000 -208.58220 -201.56714 7.01506 2.06554 -202.91385 507.52494
2265.0000 -207.87277 -201.59022 6.28255 2.13814 -201.54369 554.73067
2270.0000 -206.88638 -201.50960 5.37678 2.13687 -201.56764 526.10535
2275.0000 -206.56484 -201.53324 5.03160 2.15140 -201.29334 514.53343
2280.0000 -206.08791 -201.11560 4.97230 2.15520 -201.22165 506.36250
2285.0000 -206.21818 -199.95585 6.26233 2.19206 -200.52591 529.65500
2290.0000 -206.85226 -200.91683 5.93543 2.19953 -200.38493 544.31502
2295.0000 -206.21650 -201.12124 5.09526 2.17783 -200.79454 539.41972
2300.0000 -207.40761 -201.06894 6.33867 2.13089 -201.68040 506.39206
2305.0000 -207.57044 -202.56891 5.00154 2.12381 -201.81407 510.70385
2310.0000 -206.75885 -201.64844 5.11041 2.11167 -202.04321 486.33541
2315.0000 -206.09083 -199.37874 6.71209 2.19891 -200.39666 556.36039
2320.0000 -205.95827 -199.95314 6.00514 2.25682 -199.30360 569.58223
2325.0000 -206.84131 -200.51706 6.32425 2.24128 -199.59689 560.96887
2330.0000 -205.80504 -200.17191 5.63313 2.21498 -200.09336 572.90406
2335.0000 -207.30724 -201.47915 5.82809 2.17173 -200.90963 560.13787
2340.0000 -207.22131 -202.25995 4.96136 2.11845 -201.91522 521.35378
2345.0000 -207.81446 -202.94038 4.87408 2.10203 -202.22519 488.51051
2350.0000 -205.67251 -200.61318 5.05933 2.10717 -202.12826 475.63648
2355.0000 -207.08507 -201.01781 6.06727 2.17671 -200.81564 535.40362
2360.0000 -208.34276 -201.23456 7.10820 2.14028 -201.50333 516.79541
2365.0000 -207.57343 -202.37438 5.19905 2.11506 -201.97935 512.38806
2370.0000 -207.79705 -202.37746 5.41958 2.09908 -202.28091 502.45570
2375.0000 -207.74833 -201.56777 6.18056 2.10145 -202.23612 526.13627
2380.0000 -206.43329 -201.37822 5.05508 2.14895 -201.33969 566.01109
2385.0000 -207.18009 -201.33411 5.84598 2.15265 -201.26977 542.47489
2390.0000 -207.19142 -202.21023 4.98119 2.11633 -201.95520 528.64717
2395.0000 -207.43863 -202.31209 5.12654 2.12461 -201.79907 532.49973
2400.0000 -207.65042 -201.81232 5.83809 2.10336 -202.20010 520.63813
2405.0000 -207.64117 -201.64730 5.99387 2.16899 -200.96136 559.93394
2410.0000 -207.99701 -202.45725 5.53976 2.10139 -202.23725 499.17545
2415.0000 -206.91970 -201.83589 5.08381 2.09940 -202.27476 493.67975
2420.0000 -207.98769 -202.69950 5.28819 2.09966 -202.26989 513.87130
2425.0000 -207.49759 -202.47194 5.02565 2.06601 -202.90512 501.85590
2430.0000 -207.83999 -201.94038 5.89961 2.12562 -201.77994 541.39817
2435.0000 -207.61066 -202.75813 4.85253 2.09450 -202.36737 503.19397
2440.0000 -207.93638 -202.74634 5.19004 2.07448 -202.74517 492.30696
2445.0000 -208.78153 -203.49788 5.28366 2.06221 -202.97670 487.84758
2450.0000 -206.89303 -201.40015 5.49289 2.07711 -202.69557 492.14945
2455.0000 -207.95530 -202.56512 5.39017 2.10510 -202.16732 514.92964
2460.0000 -207.23167 -201.85048 5.38119 2.11838 -201.91651 526.11960
2465.0000 -207.60312 -201.05998 6.54315 2.11717 -201.93935 535.65332
2470.0000 -207.89052 -202.39989 5.49062 2.09362 -202.38396 518.70002
2475.0000 -208.01604 -201.58581 6.43023 2.11749 -201.93331 537.13153
2480.0000 -208.09452 -202.49472 5.59981 2.13029 -201.69175 547.62876
2485.0000 -207.79257 -202.39429 5.39828 2.09592 -202.34061 526.54905
2490.0000 -208.63598 -202.68773 5.94825 2.09615 -202.33626 532.69776
2495.0000 -208.23898 -202.72772 5.51127 2.07176 -202.79644 524.21470
2500.0000 -207.95778 -202.70625 5.25153 2.08009 -202.63927 518.85704
MELTING PROCESS: loop number 11 T-loop= 550.00000000000000
main_MD> interactions number 11 at Temperature= 550.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.82531 -2.63911 -0.10284
force_rgl> df(natom) -0.46372 0.18504 0.79366
2505.0000 -207.66392 -202.09598 5.56794 2.07000 -202.82975 517.68805
2510.0000 -208.72162 -202.20653 6.51509 2.09636 -202.33227 534.93726
2515.0000 -208.72937 -203.81270 4.91667 2.05133 -203.18222 500.25262
2520.0000 -208.02635 -203.24000 4.78634 2.02885 -203.60644 481.57513
2525.0000 -207.85658 -202.44645 5.41013 2.08050 -202.63164 525.79206
2530.0000 -208.30156 -202.16374 6.13782 2.12466 -201.79814 560.50621
2535.0000 -207.94415 -202.63043 5.31372 2.08026 -202.63616 522.46266
2540.0000 -207.14817 -202.09464 5.05353 2.10612 -202.14790 544.32713
2545.0000 -207.02859 -200.42110 6.60749 2.14206 -201.46969 546.04965
2550.0000 -206.17539 -200.16968 6.00571 2.22970 -199.81546 610.27291
2555.0000 -206.10031 -200.73514 5.36516 2.19256 -200.51641 574.93625
2560.0000 -207.07407 -201.91730 5.15677 2.17534 -200.84157 578.38744
2565.0000 -208.47509 -202.93157 5.54352 2.09751 -202.31058 538.87404
2570.0000 -206.57790 -201.91904 4.65886 2.09373 -202.38176 525.64347
2575.0000 -207.58816 -201.96738 5.62078 2.13910 -201.52552 557.11031
2580.0000 -206.69625 -200.70426 5.99199 2.12125 -201.86251 539.84977
2585.0000 -207.63861 -202.04582 5.59279 2.15400 -201.24432 567.65827
2590.0000 -207.23609 -200.94667 6.28942 2.15181 -201.28563 564.65124
2595.0000 -205.85953 -200.29882 5.56071 2.22484 -199.90726 597.74703
2600.0000 -206.79966 -201.02996 5.76970 2.18106 -200.73356 560.48902
2605.0000 -207.46210 -201.23797 6.22413 2.15236 -201.27520 549.29521
2610.0000 -205.73721 -200.75347 4.98374 2.18852 -200.59275 575.19522
2615.0000 -206.75120 -201.19919 5.55200 2.18928 -200.57830 549.80172
2620.0000 -207.56134 -201.75754 5.80380 2.16332 -201.06833 556.61899
2625.0000 -207.20660 -201.31468 5.89192 2.16366 -201.06190 570.81431
2630.0000 -207.47517 -202.08733 5.38784 2.13979 -201.51245 547.12128
2635.0000 -206.16921 -200.06704 6.10217 2.16493 -201.03798 554.54464
2640.0000 -206.86878 -201.12172 5.74706 2.18496 -200.65998 544.66317
2645.0000 -206.94882 -200.46810 6.48071 2.18623 -200.63605 558.00020
2650.0000 -207.28684 -200.69036 6.59648 2.16745 -200.99039 537.70751
2655.0000 -206.33084 -200.58930 5.74154 2.18088 -200.73694 557.50227
2660.0000 -207.40380 -200.78766 6.61614 2.20069 -200.36303 585.82852
2665.0000 -207.00539 -201.05140 5.95399 2.16813 -200.97767 552.57602
2670.0000 -206.17937 -200.81192 5.36744 2.17271 -200.89112 560.91674
2675.0000 -206.98724 -201.46736 5.51988 2.14998 -201.32021 537.79935
2680.0000 -207.10288 -200.42153 6.68136 2.18724 -200.61690 549.40917
2685.0000 -206.66841 -202.01710 4.65132 2.17530 -200.84235 539.22376
2690.0000 -207.46826 -202.10187 5.36639 2.12125 -201.86241 517.09749
2695.0000 -206.34204 -199.59368 6.74836 2.17432 -200.86082 547.76557
2700.0000 -206.03152 -199.38628 6.64524 2.24836 -199.46337 620.80618
2705.0000 -206.07469 -199.97628 6.09840 2.22564 -199.89218 624.32457
2710.0000 -206.58050 -201.40169 5.17881 2.21745 -200.04677 585.17812
2715.0000 -207.43900 -201.98686 5.45214 2.12455 -201.80011 501.43468
2720.0000 -207.78437 -202.33386 5.45051 2.08431 -202.55971 488.83147
2725.0000 -207.17659 -201.90904 5.26756 2.11811 -201.92169 514.89071
2730.0000 -206.89913 -200.30682 6.59231 2.17414 -200.86422 553.03653
2735.0000 -206.54341 -201.45725 5.08615 2.20397 -200.30119 535.72107
2740.0000 -207.11450 -201.72881 5.38568 2.12547 -201.78271 486.43701
2745.0000 -206.38291 -201.03348 5.34942 2.15625 -201.20191 520.20941
2750.0000 -206.79263 -200.62797 6.16466 2.19965 -200.38263 545.16663
MELTING PROCESS: loop number 12 T-loop= 575.00000000000000
main_MD> interactions number 12 at Temperature= 575.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.70814 -0.82690 1.20192
force_rgl> df(natom) 0.37029 -4.32526 6.96409
2755.0000 -206.10078 -200.37672 5.72406 2.22046 -199.98997 565.67831
2760.0000 -205.67394 -198.24470 7.42924 2.28433 -198.78432 592.09737
2765.0000 -205.45589 -199.54962 5.90627 2.28429 -198.78513 596.57624
2770.0000 -205.13206 -199.60303 5.52903 2.24893 -199.45256 578.66825
2775.0000 -205.42688 -198.36862 7.05825 2.27981 -198.86972 589.07857
2780.0000 -205.14929 -199.40515 5.74414 2.28151 -198.83751 604.14258
2785.0000 -206.29782 -199.66415 6.63368 2.23450 -199.72494 582.39439
2790.0000 -205.58584 -199.41715 6.16869 2.26997 -199.05547 582.96069
2795.0000 -204.48886 -197.46202 7.02685 2.27310 -198.99624 585.67271
2800.0000 -205.59538 -199.19913 6.39625 2.30831 -198.33178 632.25951
2805.0000 -206.31666 -200.86329 5.45338 2.21500 -200.09299 568.47883
2810.0000 -206.58494 -201.97316 4.61178 2.16251 -201.08371 523.12577
2815.0000 -206.32292 -200.46028 5.86264 2.17460 -200.85551 552.00454
2820.0000 -205.53687 -199.30214 6.23473 2.22043 -199.99038 584.46044
2825.0000 -206.05842 -200.30905 5.74936 2.24820 -199.46622 598.76436
2830.0000 -207.19958 -201.11116 6.08841 2.21436 -200.10500 571.50681
2835.0000 -206.59077 -200.64888 5.94189 2.17310 -200.88378 549.99458
2840.0000 -206.89356 -201.75172 5.14184 2.17519 -200.84431 541.10639
2845.0000 -206.11988 -200.57342 5.54646 2.15187 -201.28457 528.44552
2850.0000 -206.59046 -200.68475 5.90571 2.20226 -200.33333 529.02377
2855.0000 -206.81341 -201.35118 5.46223 2.20212 -200.33607 552.49600
2860.0000 -206.31138 -199.81289 6.49850 2.20751 -200.23429 570.48710
2865.0000 -206.96882 -200.14055 6.82826 2.19685 -200.43550 571.07903
2870.0000 -206.12221 -199.92867 6.19355 2.21853 -200.02639 577.43221
2875.0000 -207.63824 -200.09245 7.54579 2.19927 -200.38985 597.61977
2880.0000 -207.21286 -201.43656 5.77630 2.14208 -201.46924 561.04120
2885.0000 -206.97952 -201.63865 5.34087 2.16315 -201.07160 568.18944
2890.0000 -207.44192 -202.33979 5.10212 2.14771 -201.36300 554.82587
2895.0000 -207.29151 -201.32878 5.96273 2.14608 -201.39373 569.59346
2900.0000 -207.91795 -203.20693 4.71102 2.09796 -202.30192 526.43537
2905.0000 -208.12975 -201.82235 6.30741 2.08329 -202.57884 491.16627
2910.0000 -206.59112 -200.91358 5.67754 2.10227 -202.22076 519.22292
2915.0000 -206.71379 -201.13238 5.58141 2.17375 -200.87143 573.19276
2920.0000 -207.04895 -201.81783 5.23112 2.12479 -201.79556 523.88148
2925.0000 -206.39418 -200.65723 5.73695 2.14853 -201.34747 534.18908
2930.0000 -205.90116 -199.50056 6.40060 2.22789 -199.84973 575.20271
2935.0000 -206.15707 -200.73444 5.42263 2.18754 -200.61114 545.39870
2940.0000 -206.89603 -200.86373 6.03230 2.17921 -200.76841 543.20105
2945.0000 -206.31151 -201.38955 4.92196 2.12104 -201.86632 504.96003
2950.0000 -206.49689 -200.48104 6.01586 2.17882 -200.77590 540.25065
2955.0000 -205.29999 -199.91573 5.38426 2.21352 -200.12089 542.90980
2960.0000 -206.42387 -199.82146 6.60240 2.23939 -199.63261 565.83877
2965.0000 -205.27795 -198.61018 6.66777 2.25591 -199.32085 570.37326
2970.0000 -204.97166 -199.16070 5.81096 2.27574 -198.94648 589.23781
2975.0000 -205.46874 -198.78973 6.67901 2.27254 -199.00698 596.56915
2980.0000 -206.26565 -199.95930 6.30635 2.25249 -199.38531 546.75036
2985.0000 -206.25018 -199.67947 6.57070 2.22944 -199.82033 560.26047
2990.0000 -206.04964 -199.88378 6.16586 2.24911 -199.44915 574.91041
2995.0000 -205.51922 -199.62646 5.89276 2.23047 -199.80093 574.89651
3000.0000 -206.66484 -200.72531 5.93953 2.18902 -200.58334 549.95301
MELTING PROCESS: loop number 13 T-loop= 600.00000000000000
main_MD> interactions number 13 at Temperature= 600.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.84977 -0.30330 -0.90248
force_rgl> df(natom) 0.84955 -1.11693 -0.48577
3005.0000 -204.71086 -198.60072 6.11015 2.23262 -199.76032 603.73024
3010.0000 -205.67606 -198.89106 6.78500 2.31710 -198.16579 638.60812
3015.0000 -205.31823 -199.15246 6.16578 2.29018 -198.67395 626.96582
3020.0000 -204.29137 -198.21325 6.07812 2.32168 -198.07933 636.20130
3025.0000 -204.13817 -197.88932 6.24886 2.33726 -197.78535 634.84818
3030.0000 -205.78028 -199.46951 6.31078 2.27583 -198.94477 600.85427
3035.0000 -205.25253 -198.22165 7.03088 2.28481 -198.77535 616.02731
3040.0000 -205.64284 -198.46851 7.17433 2.32149 -198.08306 625.47440
3045.0000 -204.30685 -198.35351 5.95334 2.28772 -198.72046 611.54702
3050.0000 -204.88742 -197.41003 7.47739 2.30291 -198.43365 636.27686
3055.0000 -204.72500 -198.58789 6.13711 2.34124 -197.71026 638.24934
3060.0000 -204.75013 -197.51765 7.23248 2.32013 -198.10864 639.77027
3065.0000 -204.87744 -199.03429 5.84316 2.30147 -198.46090 627.72879
3070.0000 -204.91010 -198.65321 6.25690 2.30352 -198.42215 594.78961
3075.0000 -204.82853 -198.90439 5.92414 2.33178 -197.88886 621.29413
3080.0000 -204.58382 -198.45729 6.12653 2.28184 -198.83132 577.93687
3085.0000 -205.53132 -199.25792 6.27341 2.27325 -198.99358 610.30917
3090.0000 -205.97402 -199.94601 6.02801 2.22490 -199.90614 586.07195
3095.0000 -205.53049 -199.05779 6.47271 2.22147 -199.97076 562.87364
3100.0000 -205.43744 -198.64462 6.79282 2.28181 -198.83188 586.79138
3105.0000 -205.56078 -199.30697 6.25381 2.22571 -199.89076 569.93060
3110.0000 -206.14174 -200.15416 5.98759 2.24992 -199.43393 587.54736
3115.0000 -206.21730 -199.72635 6.49095 2.18965 -200.57133 556.73272
3120.0000 -205.62865 -198.94089 6.68776 2.24256 -199.57273 610.93778
3125.0000 -206.88252 -201.12044 5.76207 2.21941 -200.00973 606.40136
3130.0000 -206.66461 -200.83940 5.82520 2.19272 -200.51351 574.34557
3135.0000 -206.74524 -201.11777 5.62747 2.19402 -200.48884 590.23987
3140.0000 -206.02704 -200.29796 5.72909 2.15291 -201.26478 538.81640
3145.0000 -204.43706 -198.40067 6.03640 2.26193 -199.20723 596.24392
3150.0000 -204.41264 -197.31651 7.09613 2.33213 -197.88216 619.96575
3155.0000 -205.07300 -198.58844 6.48456 2.34707 -197.60011 655.13856
3160.0000 -205.19690 -199.08997 6.10693 2.27873 -198.88999 602.20593
3165.0000 -205.22443 -198.94461 6.27982 2.25963 -199.25060 591.65706
3170.0000 -203.98265 -197.32573 6.65692 2.29979 -198.49262 635.31486
3175.0000 -205.11094 -198.74138 6.36955 2.30518 -198.39077 611.54146
3180.0000 -205.35245 -197.81313 7.53932 2.31536 -198.19873 610.25751
3185.0000 -204.95319 -197.87308 7.08011 2.34118 -197.71144 639.06106
3190.0000 -205.30228 -198.27770 7.02458 2.32479 -198.02073 624.70892
3195.0000 -203.84931 -197.26139 6.58792 2.34120 -197.71104 639.14682
3200.0000 -204.71387 -198.61312 6.10075 2.33194 -197.88573 614.05254
3205.0000 -206.45935 -199.35589 7.10346 2.29972 -198.49384 612.81296
3210.0000 -205.63685 -199.83040 5.80646 2.25748 -199.29120 580.35466
3215.0000 -206.42663 -200.32695 6.09969 2.21615 -200.07119 556.88022
3220.0000 -206.70131 -200.61739 6.08392 2.20341 -200.31164 583.56326
3225.0000 -207.24686 -201.05516 6.19170 2.15716 -201.18467 565.48648
3230.0000 -207.29856 -200.80497 6.49359 2.17640 -200.82142 584.87107
3235.0000 -206.23879 -200.65259 5.58619 2.19075 -200.55074 593.99951
3240.0000 -205.21454 -198.51648 6.69806 2.25099 -199.41358 598.52997
3245.0000 -205.74330 -199.13168 6.61162 2.26857 -199.08181 608.90121
3250.0000 -205.21072 -198.79498 6.41574 2.23249 -199.76274 562.04345
MELTING PROCESS: loop number 14 T-loop= 625.00000000000000
main_MD> interactions number 14 at Temperature= 625.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.00694 -0.86749 -1.48087
force_rgl> df(natom) -0.41060 1.81515 -1.99145
3255.0000 -204.71173 -197.78541 6.92632 2.29957 -198.49674 601.41438
3260.0000 -205.25270 -199.12391 6.12879 2.33197 -197.88514 645.21402
3265.0000 -205.58417 -199.06977 6.51440 2.26142 -199.21675 608.03789
3270.0000 -205.90670 -199.46793 6.43877 2.24259 -199.57217 584.54083
3275.0000 -204.30217 -197.91478 6.38739 2.26633 -199.12410 586.20706
3280.0000 -204.91342 -198.30353 6.60990 2.32314 -198.05177 613.42590
3285.0000 -205.49303 -198.89234 6.60069 2.28422 -198.78643 593.20862
3290.0000 -203.46835 -196.11302 7.35533 2.35770 -197.39960 643.09093
3295.0000 -204.82199 -198.63602 6.18598 2.37025 -197.16263 647.14362
3300.0000 -205.14095 -198.56827 6.57267 2.27338 -198.99104 588.96703
3305.0000 -203.69876 -197.09806 6.60071 2.35386 -197.47198 648.09402
3310.0000 -203.71065 -197.82560 5.88504 2.36047 -197.34722 631.60677
3315.0000 -204.62191 -199.06673 5.55518 2.28341 -198.80178 605.54156
3320.0000 -205.85463 -200.03418 5.82045 2.27888 -198.88715 603.51101
3325.0000 -204.30448 -197.56624 6.73824 2.27456 -198.96869 584.22899
3330.0000 -204.86926 -198.49515 6.37411 2.32168 -198.07949 623.93258
3335.0000 -204.21691 -197.58850 6.62840 2.31584 -198.18959 621.45498
3340.0000 -204.23675 -196.90362 7.33313 2.36675 -197.22881 654.35450
3345.0000 -204.39330 -197.24655 7.14676 2.37276 -197.11529 665.75593
3350.0000 -204.82171 -198.09470 6.72702 2.32506 -198.01570 644.38044
3355.0000 -205.09575 -198.49286 6.60289 2.29735 -198.53865 599.68093
3360.0000 -203.72417 -196.22286 7.50131 2.31785 -198.15179 609.37364
3365.0000 -204.28159 -197.96840 6.31318 2.36483 -197.26493 657.54795
3370.0000 -204.78869 -198.88088 5.90781 2.31400 -198.22431 619.41642
3375.0000 -206.28855 -198.65764 7.63091 2.26983 -199.05799 593.19573
3380.0000 -203.44976 -196.75559 6.69417 2.33279 -197.86969 628.43298
3385.0000 -204.45676 -197.87730 6.57946 2.35141 -197.51833 650.72302
3390.0000 -205.52086 -198.54788 6.97298 2.29398 -198.60220 617.32771
3395.0000 -204.53116 -198.76820 5.76296 2.26351 -199.17735 590.99525
3400.0000 -205.39869 -199.52426 5.87443 2.26859 -199.08152 597.79180
3405.0000 -204.05541 -197.54000 6.51541 2.33274 -197.87068 634.69885
3410.0000 -204.45300 -197.67742 6.77557 2.35608 -197.43004 650.39470
3415.0000 -205.19722 -198.43513 6.76209 2.31940 -198.12238 627.29263
3420.0000 -205.91375 -198.72311 7.19064 2.27762 -198.91105 601.05245
3425.0000 -204.95939 -198.62304 6.33635 2.28455 -198.78023 604.22257
3430.0000 -204.92204 -197.07362 7.84843 2.29981 -198.49225 617.17201
3435.0000 -204.25901 -197.36576 6.89325 2.31396 -198.22508 628.88221
3440.0000 -205.41275 -198.29287 7.11988 2.30986 -198.30243 630.48653
3445.0000 -204.54128 -197.76258 6.77869 2.30588 -198.37753 626.54564
3450.0000 -205.59392 -199.28744 6.30649 2.32087 -198.09470 629.38620
3455.0000 -205.05766 -198.35744 6.70022 2.28244 -198.81998 613.83497
3460.0000 -204.83747 -198.05678 6.78069 2.30476 -198.39876 644.94599
3465.0000 -205.38262 -199.11957 6.26305 2.33291 -197.86741 656.56992
3470.0000 -205.61778 -198.72663 6.89115 2.27881 -198.88855 598.82074
3475.0000 -205.96643 -199.15949 6.80694 2.26801 -199.09235 615.74271
3480.0000 -205.64865 -199.46419 6.18446 2.27564 -198.94830 614.38548
3485.0000 -205.31085 -198.91041 6.40043 2.25300 -199.37563 587.25810
3490.0000 -205.46484 -198.49168 6.97316 2.32288 -198.05673 626.64488
3495.0000 -205.30291 -198.31711 6.98580 2.30110 -198.46785 632.62232
3500.0000 -204.44606 -197.03893 7.40712 2.34089 -197.71680 636.36812
MELTING PROCESS: loop number 15 T-loop= 650.00000000000000
main_MD> interactions number 15 at Temperature= 650.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.29674 -1.14123 0.46116
force_rgl> df(natom) 3.43970 0.63550 0.96745
3505.0000 -204.42241 -198.35556 6.06685 2.33857 -197.76056 634.17831
3510.0000 -204.35934 -197.79893 6.56041 2.31331 -198.23732 606.88098
3515.0000 -203.26823 -195.63693 7.63130 2.38199 -196.94107 661.85004
3520.0000 -203.98958 -196.88280 7.10678 2.44721 -195.71017 685.02076
3525.0000 -203.15119 -196.12673 7.02446 2.42847 -196.06384 703.62377
3530.0000 -203.29954 -196.56338 6.73615 2.40498 -196.50711 664.27827
3535.0000 -202.48454 -195.29811 7.18643 2.39899 -196.62019 663.29167
3540.0000 -203.31837 -196.94004 6.37833 2.41434 -196.33056 670.94807
3545.0000 -204.43506 -196.94103 7.49404 2.36824 -197.20065 636.84777
3550.0000 -203.84860 -196.61704 7.23156 2.39627 -196.67162 687.65835
3555.0000 -203.38189 -197.26289 6.11900 2.37898 -196.99797 668.46746
3560.0000 -203.63654 -197.16901 6.46753 2.36606 -197.24181 663.94939
3565.0000 -204.14427 -196.79022 7.35405 2.40946 -196.42268 675.64375
3570.0000 -204.31565 -197.19474 7.12091 2.44367 -195.77695 707.35511
3575.0000 -204.68213 -196.83402 7.84811 2.37061 -197.15580 678.20230
3580.0000 -205.30173 -197.10783 8.19390 2.37290 -197.11259 675.27770
3585.0000 -204.66696 -196.86918 7.79778 2.36679 -197.22799 660.45437
3590.0000 -203.63553 -197.08750 6.54803 2.34085 -197.71760 647.48284
3595.0000 -205.16594 -197.80366 7.36228 2.35416 -197.46630 657.24308
3600.0000 -204.99081 -197.89565 7.09515 2.32137 -198.08529 633.19914
3605.0000 -205.31080 -198.67020 6.64061 2.32353 -198.04442 664.01664
3610.0000 -205.46450 -198.03741 7.42709 2.31457 -198.21353 653.33039
3615.0000 -204.59142 -197.92771 6.66370 2.31706 -198.16662 645.14208
3620.0000 -206.29847 -199.95570 6.34277 2.25457 -199.34614 600.66755
3625.0000 -204.31082 -198.38819 5.92264 2.25801 -199.28106 601.56515
3630.0000 -204.13729 -197.01156 7.12573 2.32400 -198.03559 632.32793
3635.0000 -204.06154 -197.14948 6.91206 2.36250 -197.30898 642.89574
3640.0000 -205.00220 -197.22059 7.78161 2.38351 -196.91247 661.82837
3645.0000 -204.76292 -197.32466 7.43826 2.34011 -197.73157 625.15095
3650.0000 -204.56228 -197.61014 6.95214 2.34914 -197.56108 651.54975
3655.0000 -202.73271 -196.64235 6.09037 2.38399 -196.90333 651.10686
3660.0000 -203.65749 -196.62443 7.03305 2.43935 -195.85843 720.81560
3665.0000 -203.94276 -196.97586 6.96691 2.39881 -196.62368 656.30196
3670.0000 -204.50974 -197.37876 7.13098 2.32092 -198.09368 621.50569
3675.0000 -203.57099 -196.41522 7.15577 2.38898 -196.80913 674.19039
3680.0000 -204.00235 -197.41683 6.58553 2.37685 -197.03803 645.55035
3685.0000 -204.82789 -197.69848 7.12941 2.36037 -197.34917 647.95855
3690.0000 -204.74425 -197.83526 6.90899 2.36672 -197.22937 669.92231
3695.0000 -205.11602 -197.37030 7.74571 2.31549 -198.19616 643.66502
3700.0000 -204.26799 -197.76402 6.50397 2.33806 -197.77017 640.74385
3705.0000 -204.88125 -199.15369 5.72756 2.27324 -198.99370 596.78018
3710.0000 -204.38852 -197.95073 6.43778 2.30776 -198.34207 625.00062
3715.0000 -205.32653 -198.25628 7.07025 2.31675 -198.17242 628.63822
3720.0000 -204.55525 -196.74313 7.81212 2.35113 -197.52364 654.81393
3725.0000 -204.74777 -196.73477 8.01300 2.39730 -196.65208 678.35842
3730.0000 -202.75493 -195.60092 7.15401 2.40731 -196.46325 692.50541
3735.0000 -204.28499 -196.73995 7.54505 2.39749 -196.64846 662.71118
3740.0000 -203.08117 -196.87416 6.20701 2.37251 -197.12008 661.38005
3745.0000 -204.70984 -197.40426 7.30558 2.36044 -197.34784 634.06715
3750.0000 -204.46934 -197.65479 6.81455 2.37426 -197.08706 661.23001
MELTING PROCESS: loop number 16 T-loop= 675.00000000000000
main_MD> interactions number 16 at Temperature= 675.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.06211 0.95627 0.30979
force_rgl> df(natom) 1.22346 -3.03434 0.20632
3755.0000 -203.85836 -196.28135 7.57701 2.36753 -197.21395 663.80447
3760.0000 -204.18907 -197.22354 6.96553 2.38940 -196.80129 668.57021
3765.0000 -203.74270 -194.46125 9.28145 2.40818 -196.44681 684.72447
3770.0000 -203.86437 -196.27857 7.58579 2.43825 -195.87917 690.08888
3775.0000 -202.84062 -195.62399 7.21663 2.48346 -195.02584 729.37479
3780.0000 -203.64694 -196.53714 7.10980 2.41910 -196.24074 665.09425
3785.0000 -203.24500 -196.68558 6.55942 2.42660 -196.09905 690.65847
3790.0000 -202.58036 -195.98184 6.59852 2.43168 -196.00315 700.20554
3795.0000 -203.42642 -197.87670 5.54972 2.40337 -196.53754 680.22069
3800.0000 -204.06126 -197.83920 6.22205 2.34304 -197.67621 636.35865
3805.0000 -203.26829 -196.39634 6.87194 2.38722 -196.84242 667.68458
3810.0000 -205.61411 -198.50915 7.10496 2.35108 -197.52449 651.66411
3815.0000 -204.05612 -198.11022 5.94590 2.31258 -198.25111 628.38318
3820.0000 -203.44948 -196.55096 6.89852 2.35282 -197.49157 638.34727
3825.0000 -203.87351 -196.81448 7.05904 2.38538 -196.87713 664.98778
3830.0000 -203.30047 -196.56797 6.73250 2.38772 -196.83296 676.93242
3835.0000 -204.64590 -197.30633 7.33957 2.37677 -197.03970 656.72301
3840.0000 -204.28768 -196.40362 7.88406 2.40118 -196.57892 691.10869
3845.0000 -203.15423 -196.71902 6.43521 2.39666 -196.66418 684.69551
3850.0000 -204.27648 -195.80262 8.47386 2.39656 -196.66613 691.85660
3855.0000 -202.11472 -194.39356 7.72116 2.45709 -195.52361 696.26237
3860.0000 -204.82260 -198.30572 6.51688 2.42736 -196.08469 686.06258
3865.0000 -204.30302 -197.25073 7.05229 2.32860 -197.94875 622.34122
3870.0000 -204.42180 -197.72768 6.69413 2.35408 -197.46783 659.43868
3875.0000 -203.33459 -196.02394 7.31065 2.36195 -197.31942 644.23061
3880.0000 -203.00147 -197.44524 5.55624 2.39261 -196.74070 661.10188
3885.0000 -204.38520 -196.74154 7.64365 2.40129 -196.57683 686.98421
3890.0000 -204.26489 -197.16055 7.10435 2.38568 -196.87143 675.57090
3895.0000 -204.51194 -197.63870 6.87325 2.38144 -196.95143 663.34363
3900.0000 -205.41482 -198.42784 6.98697 2.32758 -197.96800 633.26830
3905.0000 -203.77254 -196.80820 6.96434 2.34554 -197.62909 650.11294
3910.0000 -202.89274 -195.96222 6.93052 2.42031 -196.21776 677.45352
3915.0000 -203.26800 -195.57220 7.69580 2.43304 -195.97756 706.38325
3920.0000 -202.56076 -195.16499 7.39578 2.48353 -195.02461 712.63255
3925.0000 -204.53228 -195.63514 8.89713 2.48741 -194.95127 723.34638
3930.0000 -203.66900 -197.09219 6.57681 2.43264 -195.98504 714.99483
3935.0000 -204.44951 -196.21632 8.23318 2.40086 -196.58495 672.73459
3940.0000 -202.70989 -195.92431 6.78558 2.42683 -196.09483 695.75651
3945.0000 -203.93425 -196.71275 7.22150 2.41839 -196.25398 684.14361
3950.0000 -204.32637 -198.00466 6.32170 2.39807 -196.63757 674.52001
3955.0000 -203.20408 -196.74674 6.45734 2.40444 -196.51726 672.22839
3960.0000 -202.69039 -196.37269 6.31770 2.43408 -195.95790 705.78554
3965.0000 -206.22796 -198.46964 7.75832 2.36619 -197.23923 668.18215
3970.0000 -203.84585 -196.97014 6.87570 2.32721 -197.97497 618.98506
3975.0000 -203.53227 -195.70623 7.82604 2.45344 -195.59251 721.83909
3980.0000 -203.41126 -196.65940 6.75187 2.38524 -196.87971 676.14761
3985.0000 -204.88061 -196.48954 8.39107 2.39934 -196.61360 697.76661
3990.0000 -205.35808 -198.99158 6.36650 2.35096 -197.52679 653.16819
3995.0000 -206.12166 -199.04844 7.07323 2.29054 -198.66715 611.59179
4000.0000 -204.85792 -197.75302 7.10490 2.31191 -198.26386 630.76679
MELTING PROCESS: loop number 17 T-loop= 700.00000000000000
main_MD> interactions number 17 at Temperature= 700.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.01425 2.63914 -0.64151
force_rgl> df(natom) 4.03773 1.92922 -0.38107
4005.0000 -202.38255 -195.72672 6.65584 2.39448 -196.70535 672.61732
4010.0000 -201.98766 -194.56135 7.42631 2.47109 -195.25940 732.16535
4015.0000 -203.20579 -195.16021 8.04558 2.46691 -195.33825 718.71000
4020.0000 -203.98147 -196.40857 7.57289 2.42719 -196.08792 684.66342
4025.0000 -203.87961 -196.66332 7.21629 2.38786 -196.83035 666.16101
4030.0000 -202.46639 -194.81063 7.65576 2.45461 -195.57035 726.98530
4035.0000 -203.45448 -195.48527 7.96922 2.45683 -195.52850 715.09464
4040.0000 -203.74612 -195.35228 8.39384 2.43974 -195.85101 714.56394
4045.0000 -203.68831 -197.09209 6.59623 2.41084 -196.39661 668.21872
4050.0000 -203.32015 -196.82398 6.49617 2.40258 -196.55250 666.26946
4055.0000 -205.17970 -197.63877 7.54093 2.34020 -197.72984 637.60484
4060.0000 -203.30487 -195.91155 7.39331 2.40953 -196.42122 686.52796
4065.0000 -203.63520 -195.89097 7.74423 2.42796 -196.07338 689.21346
4070.0000 -203.90743 -196.01337 7.89406 2.42529 -196.12391 700.58279
4075.0000 -204.47860 -196.19373 8.28487 2.46394 -195.39428 728.89316
4080.0000 -201.90707 -193.69020 8.21686 2.45900 -195.48755 716.71115
4085.0000 -202.90878 -196.07815 6.83063 2.50266 -194.66354 717.34292
4090.0000 -204.46715 -196.41609 8.05106 2.42276 -196.17149 687.51662
4095.0000 -204.62335 -198.39411 6.22924 2.35886 -197.37769 659.12168
4100.0000 -205.39106 -197.20476 8.18630 2.32617 -197.99460 635.60644
4105.0000 -203.30562 -197.30054 6.00508 2.36464 -197.26855 640.15584
4110.0000 -203.69333 -196.02961 7.66372 2.40008 -196.59961 664.94662
4115.0000 -203.53613 -195.29817 8.23795 2.45878 -195.49166 707.68673
4120.0000 -201.45703 -193.58022 7.87681 2.51967 -194.34253 734.88817
4125.0000 -201.44328 -194.14222 7.30106 2.54259 -193.90976 764.36632
4130.0000 -201.36227 -193.38901 7.97326 2.53179 -194.11365 771.22106
4135.0000 -202.23440 -195.03057 7.20383 2.50795 -194.56369 742.82708
4140.0000 -203.03148 -194.38890 8.64258 2.52072 -194.32271 750.09789
4145.0000 -202.60486 -194.01226 8.59259 2.53263 -194.09775 752.93922
4150.0000 -202.65537 -195.29236 7.36301 2.50943 -194.53573 745.70396
4155.0000 -202.27858 -193.58878 8.68980 2.49041 -194.89477 722.56265
4160.0000 -201.62679 -193.55857 8.06822 2.55792 -193.62042 751.87955
4165.0000 -201.94466 -193.07843 8.86622 2.57639 -193.27183 778.90967
4170.0000 -202.56417 -194.82411 7.74006 2.50761 -194.56999 726.69878
4175.0000 -203.73291 -195.99204 7.74087 2.44110 -195.82544 701.11027
4180.0000 -203.62543 -196.89501 6.73042 2.40579 -196.49184 693.58544
4185.0000 -202.98061 -196.08225 6.89836 2.42922 -196.04961 676.50557
4190.0000 -201.46646 -192.27760 9.18886 2.48230 -195.04773 722.20168
4195.0000 -201.43781 -193.73387 7.70395 2.56409 -193.50397 757.78100
4200.0000 -202.93628 -195.36518 7.57110 2.49341 -194.83804 715.75921
4205.0000 -203.65015 -195.88722 7.76294 2.44879 -195.68022 732.35325
4210.0000 -203.33132 -196.60111 6.73021 2.44994 -195.65852 715.42291
4215.0000 -203.70774 -196.61656 7.09118 2.37606 -197.05310 674.49324
4220.0000 -204.29944 -197.39757 6.90187 2.38900 -196.80869 675.72166
4225.0000 -204.47678 -197.68779 6.78899 2.37279 -197.11475 663.95819
4230.0000 -204.08961 -196.74518 7.34443 2.36217 -197.31523 662.97844
4235.0000 -202.30971 -195.63863 6.67108 2.43078 -196.02021 696.26198
4240.0000 -202.88851 -196.35074 6.53778 2.45439 -195.57461 707.27419
4245.0000 -204.07933 -197.32938 6.74995 2.38665 -196.85310 651.41619
4250.0000 -204.46131 -197.63581 6.82550 2.36736 -197.21727 663.07534
MELTING PROCESS: loop number 18 T-loop= 725.00000000000000
main_MD> interactions number 18 at Temperature= 725.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.16931 -3.93252 1.57542
force_rgl> df(natom) 1.26435 0.85110 -0.65534
4255.0000 -204.76715 -198.02886 6.73828 2.36389 -197.28280 651.08645
4260.0000 -204.68469 -196.88947 7.79522 2.35417 -197.46620 647.24284
4265.0000 -203.81709 -195.83589 7.98120 2.40147 -196.57349 681.06331
4270.0000 -202.56675 -195.83047 6.73628 2.44420 -195.76683 718.53245
4275.0000 -203.39277 -195.08904 8.30373 2.50435 -194.63164 752.34831
4280.0000 -202.28209 -194.14546 8.13663 2.49431 -194.82117 751.86770
4285.0000 -202.07718 -192.98694 9.09024 2.59365 -192.94605 804.79414
4290.0000 -202.13713 -194.29996 7.83717 2.56070 -193.56808 769.46286
4295.0000 -202.50759 -194.51002 7.99757 2.50319 -194.65352 732.94221
4300.0000 -204.24415 -195.53106 8.71308 2.48425 -195.01089 738.02359
4305.0000 -203.52368 -196.13249 7.39119 2.46521 -195.37038 718.09697
4310.0000 -203.17496 -195.56381 7.61114 2.44707 -195.71271 702.84861
4315.0000 -204.35001 -195.70881 8.64120 2.45456 -195.57139 714.62805
4320.0000 -202.91002 -195.78152 7.12850 2.43588 -195.92389 671.85970
4325.0000 -202.97206 -195.50532 7.46674 2.43408 -195.95786 701.06051
4330.0000 -201.75291 -194.02776 7.72515 2.51819 -194.37038 743.50112
4335.0000 -202.41611 -194.20907 8.20704 2.48088 -195.07460 722.89327
4340.0000 -202.52783 -194.64724 7.88059 2.50974 -194.52994 719.36695
4345.0000 -203.08068 -195.47642 7.60425 2.46745 -195.32802 716.88335
4350.0000 -202.80034 -195.48259 7.31774 2.49488 -194.81038 738.21124
4355.0000 -202.24257 -194.19546 8.04711 2.48532 -194.99076 727.09917
4360.0000 -203.23446 -194.54125 8.69320 2.54077 -193.94427 796.80660
4365.0000 -203.21142 -194.53237 8.67905 2.48463 -195.00389 746.25660
4370.0000 -203.35425 -195.23258 8.12167 2.44334 -195.78320 708.38891
4375.0000 -202.78777 -194.95530 7.83247 2.49138 -194.87632 740.08884
4380.0000 -202.05455 -195.02511 7.02944 2.49845 -194.74298 721.71763
4385.0000 -202.70708 -195.48244 7.22464 2.49965 -194.72032 739.01802
4390.0000 -201.65029 -193.38827 8.26202 2.50276 -194.66158 744.47075
4395.0000 -202.95782 -194.41767 8.54015 2.56525 -193.48207 780.26697
4400.0000 -202.57739 -194.64960 7.92779 2.50686 -194.58414 753.47500
4405.0000 -202.17801 -195.85715 6.32086 2.46589 -195.35756 719.91570
4410.0000 -202.33762 -194.41581 7.92181 2.46208 -195.42946 711.83573
4415.0000 -202.32296 -193.08516 9.23781 2.58943 -193.02576 769.56435
4420.0000 -202.21842 -194.12298 8.09545 2.57463 -193.30510 790.21043
4425.0000 -202.08942 -194.25261 7.83681 2.53233 -194.10345 782.17426
4430.0000 -203.17294 -195.51663 7.65631 2.47083 -195.26425 718.50418
4435.0000 -201.75769 -193.83693 7.92076 2.45885 -195.49031 708.15875
4440.0000 -203.89795 -194.84900 9.04895 2.55030 -193.76427 788.45180
4445.0000 -201.68811 -194.45170 7.23640 2.52814 -194.18252 780.11833
4450.0000 -202.33652 -195.21388 7.12265 2.50338 -194.64982 748.83615
4455.0000 -201.41473 -193.70172 7.71301 2.52802 -194.18486 751.71876
4460.0000 -202.56637 -194.04207 8.52430 2.52219 -194.29488 752.76238
4465.0000 -202.42496 -194.42118 8.00378 2.55695 -193.63871 792.53805
4470.0000 -202.53264 -195.57081 6.96183 2.46777 -195.32201 717.38050
4475.0000 -204.53642 -196.93738 7.59904 2.40334 -196.53811 672.65242
4480.0000 -205.14488 -196.68263 8.46226 2.42495 -196.13018 697.98875
4485.0000 -202.56959 -194.48642 8.08317 2.45365 -195.58859 706.42447
4490.0000 -201.96398 -194.89537 7.06861 2.50509 -194.61772 748.75282
4495.0000 -203.98259 -195.40026 8.58233 2.47006 -195.27883 708.51482
4500.0000 -203.05187 -194.71186 8.34001 2.47300 -195.22322 724.68356
MELTING PROCESS: loop number 19 T-loop= 750.00000000000000
main_MD> interactions number 19 at Temperature= 750.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.81863 -0.21276 -0.70844
force_rgl> df(natom) 0.91895 4.64811 -2.13125
4505.0000 -203.12704 -194.49524 8.63180 2.49937 -194.72556 734.36580
4510.0000 -203.72914 -194.93751 8.79163 2.49579 -194.79319 749.98964
4515.0000 -202.80563 -194.49513 8.31051 2.45622 -195.54010 729.53652
4520.0000 -203.41606 -195.65588 7.76018 2.51848 -194.36489 771.50023
4525.0000 -202.72777 -194.07336 8.65441 2.50283 -194.66028 738.81211
4530.0000 -201.69589 -193.03848 8.65741 2.57580 -193.28296 803.05966
4535.0000 -202.35191 -194.09923 8.25269 2.55450 -193.68509 761.12645
4540.0000 -202.85454 -195.04469 7.80985 2.48209 -195.05179 744.14430
4545.0000 -202.13230 -193.75428 8.37802 2.50641 -194.59264 741.24243
4550.0000 -201.75721 -193.21647 8.54073 2.51513 -194.42808 757.80582
4555.0000 -201.61271 -193.69903 7.91368 2.64200 -192.03343 826.03541
4560.0000 -201.65309 -193.20807 8.44502 2.55430 -193.68882 792.74193
4565.0000 -202.14722 -194.83740 7.30982 2.57229 -193.34928 783.01624
4570.0000 -202.15633 -193.90954 8.24679 2.50474 -194.62427 759.34397
4575.0000 -201.85033 -195.03491 6.81542 2.50844 -194.55431 745.59317
4580.0000 -204.36307 -195.71452 8.64856 2.44639 -195.72554 714.35889
4585.0000 -203.07097 -195.69570 7.37527 2.47259 -195.23108 719.80947
4590.0000 -203.77692 -195.01029 8.76664 2.45655 -195.53385 725.68936
4595.0000 -203.39281 -196.13343 7.25938 2.45929 -195.48202 742.44860
4600.0000 -202.57653 -194.83472 7.74181 2.47615 -195.16388 742.00963
4605.0000 -201.31059 -193.29853 8.01205 2.54991 -193.77161 747.78318
4610.0000 -202.23096 -193.99872 8.23224 2.54151 -193.93023 798.00764
4615.0000 -202.49017 -193.74661 8.74356 2.55403 -193.69384 787.22808
4620.0000 -203.78760 -194.83391 8.95369 2.53925 -193.97281 781.39773
4625.0000 -203.14606 -194.87978 8.26628 2.48064 -195.07915 741.31153
4630.0000 -204.30365 -196.86732 7.43633 2.40605 -196.48688 675.58775
4635.0000 -202.94817 -196.08798 6.86019 2.43729 -195.89735 680.76030
4640.0000 -201.95026 -192.93975 9.01051 2.52215 -194.29560 750.67599
4645.0000 -203.56021 -195.36492 8.19529 2.51209 -194.48551 756.79410
4650.0000 -204.42959 -195.69670 8.73289 2.47471 -195.19096 727.35223
4655.0000 -202.08103 -194.20466 7.87638 2.51904 -194.35435 753.16249
4660.0000 -201.66543 -192.71065 8.95479 2.55519 -193.67211 772.57453
4665.0000 -202.14257 -194.22827 7.91430 2.58743 -193.06351 801.20513
4670.0000 -201.65939 -193.38164 8.27776 2.53072 -194.13393 755.02951
4675.0000 -201.77252 -194.40302 7.36951 2.54269 -193.90801 773.84669
4680.0000 -202.29372 -193.97249 8.32123 2.54080 -193.94355 775.83972
4685.0000 -202.33316 -194.17198 8.16118 2.52886 -194.16906 783.96141
4690.0000 -203.03664 -196.01958 7.01707 2.47278 -195.22743 722.77551
4695.0000 -204.60344 -196.88761 7.71584 2.46043 -195.46059 727.82385
4700.0000 -202.73414 -194.69166 8.04248 2.46055 -195.45839 719.40014
4705.0000 -201.67130 -193.94048 7.73082 2.49846 -194.74282 713.97354
4710.0000 -200.85115 -192.57691 8.27424 2.61183 -192.60305 808.98889
4715.0000 -201.28450 -193.48494 7.79957 2.61885 -192.47048 819.67813
4720.0000 -201.63998 -193.84781 7.79217 2.54647 -193.83656 736.94436
4725.0000 -200.96518 -191.87780 9.08739 2.58655 -193.08004 777.43749
4730.0000 -201.85816 -193.39073 8.46743 2.61337 -192.57383 793.92126
4735.0000 -202.39009 -194.29853 8.09156 2.51046 -194.51631 747.66479
4740.0000 -202.59143 -194.30441 8.28702 2.50628 -194.59508 732.12672
4745.0000 -203.83524 -196.18123 7.65401 2.47848 -195.11983 717.86160
4750.0000 -202.92596 -196.19202 6.73394 2.44873 -195.68137 710.45247
MELTING PROCESS: loop number 20 T-loop= 775.00000000000000
main_MD> interactions number 20 at Temperature= 775.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.65467 -2.27578 -2.23933
force_rgl> df(natom) 0.29776 -1.10645 -1.31660
4755.0000 -203.22375 -195.94005 7.28370 2.40313 -196.54201 682.80295
4760.0000 -202.11730 -194.01161 8.10568 2.43573 -195.92677 698.64423
4765.0000 -202.65968 -193.97594 8.68375 2.53098 -194.12890 758.69640
4770.0000 -201.40292 -192.62334 8.77958 2.53682 -194.01868 741.02947
4775.0000 -201.08685 -192.09395 8.99289 2.61585 -192.52715 839.67690
4780.0000 -203.14639 -194.07947 9.06692 2.56309 -193.52293 788.98147
4785.0000 -201.20827 -192.06398 9.14429 2.58964 -193.02171 805.79214
4790.0000 -202.15314 -193.78052 8.37261 2.59940 -192.83760 817.57931
4795.0000 -201.34159 -192.45403 8.88756 2.58546 -193.10067 791.97528
4800.0000 -202.41884 -193.02015 9.39868 2.58532 -193.10330 802.26181
4805.0000 -201.04610 -193.71089 7.33521 2.60846 -192.66651 805.80661
4810.0000 -200.45093 -192.86023 7.59069 2.57377 -193.32130 766.34766
4815.0000 -199.42674 -191.45308 7.97366 2.62189 -192.41309 827.92932
4820.0000 -198.78071 -190.52858 8.25213 2.64679 -191.94306 833.63368
4825.0000 -200.84035 -192.27432 8.56603 2.66538 -191.59216 845.85237
4830.0000 -199.90392 -191.80391 8.10001 2.65925 -191.70803 850.57338
4835.0000 -200.81065 -191.74505 9.06560 2.62423 -192.36892 795.46425
4840.0000 -199.38312 -191.66470 7.71841 2.66232 -191.64993 836.36753
4845.0000 -201.05642 -191.88296 9.17346 2.64942 -191.89352 828.61953
4850.0000 -200.33809 -192.34083 7.99726 2.64191 -192.03518 805.02329
4855.0000 -201.29181 -193.41465 7.87716 2.56263 -193.53158 749.19958
4860.0000 -202.52452 -194.19701 8.32751 2.53124 -194.12399 759.72498
4865.0000 -200.87542 -194.02499 6.85043 2.54502 -193.86405 787.30701
4870.0000 -203.67784 -195.97045 7.70739 2.44544 -195.74351 692.14204
4875.0000 -203.25233 -195.18373 8.06859 2.50976 -194.52957 752.27354
4880.0000 -201.30177 -193.64495 7.65682 2.54607 -193.84410 778.63860
4885.0000 -201.58563 -193.70604 7.87959 2.60972 -192.64286 785.60924
4890.0000 -202.69052 -195.28066 7.40986 2.54394 -193.88435 766.37663
4895.0000 -200.05595 -192.68079 7.37516 2.54689 -193.82873 785.15410
4900.0000 -201.46735 -193.92806 7.53930 2.59465 -192.92726 811.19459
4905.0000 -202.03226 -193.34787 8.68439 2.51625 -194.40697 755.44548
4910.0000 -201.62699 -193.06744 8.55954 2.60761 -192.68254 810.86321
4915.0000 -200.76951 -192.85614 7.91337 2.57793 -193.24272 763.38773
4920.0000 -201.03651 -192.40779 8.62872 2.55982 -193.58462 752.75901
4925.0000 -202.65740 -194.59566 8.06174 2.57466 -193.30447 806.39555
4930.0000 -201.65793 -194.14051 7.51742 2.53089 -194.13063 779.55270
4935.0000 -202.85759 -194.33368 8.52391 2.49910 -194.73071 714.77763
4940.0000 -201.56673 -193.80471 7.76202 2.54593 -193.84674 746.46108
4945.0000 -202.78399 -195.05282 7.73116 2.51287 -194.47074 738.53520
4950.0000 -202.48391 -195.75480 6.72911 2.48366 -195.02208 738.98898
4955.0000 -204.22579 -195.54763 8.67816 2.44906 -195.67524 718.54947
4960.0000 -202.81049 -194.76983 8.04065 2.52773 -194.19026 780.07221
4965.0000 -203.26996 -194.76131 8.50865 2.49947 -194.72362 733.31714
4970.0000 -201.92606 -194.87493 7.05112 2.50811 -194.56061 735.63678
4975.0000 -202.68338 -193.56553 9.11785 2.52138 -194.31014 745.14958
4980.0000 -202.39667 -194.39882 7.99785 2.55833 -193.61282 784.71347
4985.0000 -203.03431 -193.08983 9.94448 2.56488 -193.48909 808.68730
4990.0000 -202.21075 -193.63474 8.57601 2.57649 -193.26992 813.37928
4995.0000 -202.26861 -195.10470 7.16391 2.52864 -194.17308 771.08979
5000.0000 -200.69904 -192.21755 8.48149 2.55734 -193.63138 761.33419
MELTING PROCESS: loop number 21 T-loop= 800.00000000000000
main_MD> interactions number 21 at Temperature= 800.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.13462 0.99000 2.10778
force_rgl> df(natom) -1.21695 1.25326 -1.05924
5005.0000 -200.66184 -191.90726 8.75458 2.63947 -192.08130 830.98126
5010.0000 -201.74489 -192.03174 9.71316 2.64013 -192.06885 829.52878
5015.0000 -202.19676 -193.19757 8.99919 2.57062 -193.38076 788.31347
5020.0000 -202.29605 -194.28434 8.01171 2.53267 -194.09706 777.41692
5025.0000 -202.51289 -194.04198 8.47091 2.58845 -193.04430 808.70368
5030.0000 -200.52480 -193.98020 6.54460 2.57770 -193.24711 794.26778
5035.0000 -201.50050 -193.42558 8.07491 2.58164 -193.17275 793.49437
5040.0000 -201.27709 -192.81961 8.45747 2.63542 -192.15780 827.24988
5045.0000 -201.30389 -193.75297 7.55092 2.59929 -192.83958 808.88624
5050.0000 -201.41992 -192.91874 8.50118 2.58438 -193.12104 791.24761
5055.0000 -201.67709 -192.90791 8.76918 2.56924 -193.40682 769.55828
5060.0000 -202.70557 -194.66584 8.03973 2.54072 -193.94518 766.77182
5065.0000 -202.28420 -194.47780 7.80640 2.54469 -193.87019 782.30531
5070.0000 -204.57746 -196.09381 8.48365 2.47289 -195.22546 737.92499
5075.0000 -202.63825 -193.67570 8.96256 2.48803 -194.93957 750.26693
5080.0000 -201.75293 -193.18015 8.57278 2.57086 -193.37621 777.48434
5085.0000 -201.37988 -193.28682 8.09307 2.58208 -193.16443 786.24097
5090.0000 -200.36879 -192.03478 8.33401 2.59602 -192.90137 817.19015
5095.0000 -201.88814 -193.66574 8.22240 2.57376 -193.32152 771.86622
5100.0000 -201.65064 -193.23379 8.41685 2.53304 -194.09007 766.35831
5105.0000 -201.10365 -192.44359 8.66006 2.59236 -192.97041 788.86173
5110.0000 -200.96232 -191.76231 9.20000 2.64084 -192.05550 818.10915
5115.0000 -200.91202 -192.65620 8.25582 2.63686 -192.13062 841.62712
5120.0000 -200.02577 -191.53843 8.48735 2.65319 -191.82228 808.42202
5125.0000 -202.24009 -193.73730 8.50279 2.69088 -191.11092 849.56620
5130.0000 -201.97451 -194.35051 7.62400 2.50046 -194.70500 721.03543
5135.0000 -200.83402 -193.19390 7.64011 2.52996 -194.14816 725.48754
5140.0000 -200.82898 -192.76889 8.06009 2.59825 -192.85925 775.82159
5145.0000 -203.78779 -194.06598 9.72181 2.60009 -192.82458 815.52299
5150.0000 -202.36856 -194.20289 8.16567 2.54359 -193.89094 783.36364
5155.0000 -201.38281 -193.79642 7.58639 2.53075 -194.13326 768.21469
5160.0000 -201.80393 -192.94669 8.85725 2.59866 -192.85147 801.84976
5165.0000 -201.98459 -194.21004 7.77455 2.54627 -193.84028 807.29500
5170.0000 -200.37637 -192.72748 7.64889 2.57548 -193.28899 792.88893
5175.0000 -201.22806 -193.44260 7.78546 2.61627 -192.51922 806.58455
5180.0000 -198.80684 -192.06584 6.74099 2.62212 -192.40880 774.87476
5185.0000 -201.14823 -192.33956 8.80867 2.61872 -192.47289 810.76684
5190.0000 -201.42199 -193.71943 7.70256 2.57475 -193.30278 797.46273
5195.0000 -201.59693 -193.16661 8.43032 2.56263 -193.53162 771.95969
5200.0000 -199.45769 -190.11212 9.34557 2.65625 -191.76461 815.98237
5205.0000 -200.35830 -192.50393 7.85437 2.65694 -191.75155 828.53096
5210.0000 -201.00426 -192.21795 8.78631 2.65336 -191.81904 801.10771
5215.0000 -201.55907 -192.19539 9.36368 2.60539 -192.72447 799.97233
5220.0000 -201.36605 -193.50007 7.86597 2.59073 -193.00128 802.46707
5225.0000 -201.77372 -193.71590 8.05781 2.54720 -193.82289 784.03973
5230.0000 -200.66486 -191.57465 9.09021 2.59256 -192.96666 801.55510
5235.0000 -202.58579 -195.41769 7.16811 2.59722 -192.87872 799.79804
5240.0000 -202.89877 -194.72565 8.17312 2.48634 -194.97147 717.86879
5245.0000 -202.42010 -193.80326 8.61684 2.52156 -194.30676 758.57204
5250.0000 -201.52355 -193.93936 7.58418 2.55109 -193.74948 764.73914
MELTING PROCESS: loop number 22 T-loop= 825.00000000000000
main_MD> interactions number 22 at Temperature= 825.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11697 0.40789 -0.08461
force_rgl> df(natom) 0.92866 2.24163 -0.08596
5255.0000 -200.31089 -192.26256 8.04833 2.59533 -192.91446 791.11011
5260.0000 -199.79869 -191.91489 7.88380 2.64573 -191.96308 831.07267
5265.0000 -199.67347 -190.38518 9.28830 2.71756 -190.60741 876.15730
5270.0000 -199.39473 -189.99393 9.40080 2.76342 -189.74187 899.28256
5275.0000 -201.01215 -191.66485 9.34729 2.68446 -191.23211 853.94656
5280.0000 -198.77428 -189.81099 8.96329 2.70649 -190.81627 860.77572
5285.0000 -198.90079 -189.81641 9.08438 2.82410 -188.59650 941.40149
5290.0000 -200.08356 -191.86899 8.21457 2.65617 -191.76602 809.70717
5295.0000 -201.22030 -193.41929 7.80101 2.60636 -192.70617 811.33660
5300.0000 -201.48765 -193.07765 8.41000 2.57434 -193.31054 788.64459
5305.0000 -199.66541 -190.99530 8.67011 2.66319 -191.63356 842.47302
5310.0000 -200.27244 -191.57302 8.69942 2.68022 -191.31223 849.44119
5315.0000 -198.95674 -191.26658 7.69016 2.70413 -190.86086 866.65013
5320.0000 -201.37671 -192.02475 9.35197 2.65121 -191.85964 846.50560
5325.0000 -202.40094 -194.37870 8.02224 2.57569 -193.28504 797.24780
5330.0000 -202.43518 -193.65813 8.77705 2.54827 -193.80261 802.08212
5335.0000 -202.20568 -193.45220 8.75348 2.55651 -193.64706 793.17471
5340.0000 -201.68580 -192.09453 9.59127 2.61900 -192.46758 832.26911
5345.0000 -202.72516 -193.16620 9.55895 2.61456 -192.55144 825.31996
5350.0000 -200.39937 -192.04000 8.35937 2.60227 -192.78332 814.22180
5355.0000 -200.76169 -191.27038 9.49131 2.65773 -191.73654 846.44045
5360.0000 -201.04619 -192.11099 8.93519 2.67201 -191.46718 859.86258
5365.0000 -200.75983 -190.82756 9.93227 2.66180 -191.65973 831.35117
5370.0000 -200.07333 -190.02513 10.04820 2.70684 -190.80974 869.52030
5375.0000 -197.84429 -188.75630 9.08800 2.73455 -190.28677 878.69811
5380.0000 -202.40032 -193.10648 9.29384 2.72697 -190.42968 879.59496
5385.0000 -199.15127 -190.33462 8.81665 2.64671 -191.94456 836.48145
5390.0000 -200.27756 -191.01088 9.26668 2.70835 -190.78125 884.51702
5395.0000 -201.41499 -192.60741 8.80758 2.68592 -191.20461 841.69705
5400.0000 -201.07184 -192.99790 8.07395 2.62231 -192.40513 807.64651
5405.0000 -201.00044 -193.53148 7.46896 2.55202 -193.73178 767.72947
5410.0000 -199.77593 -190.06946 9.70647 2.68572 -191.20837 860.32884
5415.0000 -200.56090 -191.24408 9.31682 2.70330 -190.87643 877.31739
5420.0000 -200.37375 -190.66606 9.70770 2.71000 -190.75009 842.10312
5425.0000 -201.27546 -192.84793 8.42752 2.64459 -191.98472 822.74559
5430.0000 -200.14763 -191.58568 8.56194 2.65638 -191.76212 828.28989
5435.0000 -200.51157 -191.11447 9.39710 2.68414 -191.23822 852.15421
5440.0000 -200.04156 -191.00771 9.03384 2.70955 -190.75862 880.21258
5445.0000 -200.74348 -192.05349 8.68999 2.67318 -191.44493 830.46585
5450.0000 -200.46237 -191.80166 8.66071 2.60712 -192.69183 819.44022
5455.0000 -200.73022 -191.71826 9.01197 2.68100 -191.29739 865.03769
5460.0000 -199.39064 -191.36169 8.02895 2.64411 -191.99369 817.49104
5465.0000 -200.17721 -190.65220 9.52501 2.68766 -191.17171 833.33969
5470.0000 -199.36735 -189.56761 9.79974 2.75142 -189.96829 882.24409
5475.0000 -199.34410 -190.73392 8.61018 2.74336 -190.12036 876.14372
5480.0000 -201.79977 -192.37580 9.42397 2.66784 -191.54580 874.52990
5485.0000 -201.83997 -193.30026 8.53971 2.61123 -192.61434 800.21405
5490.0000 -201.10328 -192.93300 8.17028 2.59777 -192.86835 773.76066
5495.0000 -202.51394 -192.70214 9.81180 2.61097 -192.61911 821.60451
5500.0000 -200.29541 -190.01946 10.27596 2.68345 -191.25117 880.52821
MELTING PROCESS: loop number 23 T-loop= 850.00000000000000
main_MD> interactions number 23 at Temperature= 850.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.79225 -1.65255 0.04714
force_rgl> df(natom) 2.13093 -0.64093 -2.06292
5505.0000 -197.68862 -188.60659 9.08203 2.75624 -189.87724 893.06451
5510.0000 -200.68370 -190.64120 10.04250 2.77810 -189.46469 906.49279
5515.0000 -200.12028 -189.96845 10.15183 2.67862 -191.34242 847.63029
5520.0000 -200.19302 -190.67476 9.51826 2.76626 -189.68826 907.41717
5525.0000 -200.82065 -191.03094 9.78971 2.68874 -191.15136 855.59431
5530.0000 -198.34287 -189.89937 8.44351 2.70739 -190.79928 873.81027
5535.0000 -200.59832 -192.08186 8.51647 2.67970 -191.32186 863.24015
5540.0000 -200.56591 -191.77881 8.78709 2.65953 -191.70256 833.70048
5545.0000 -202.15222 -194.03726 8.11496 2.56204 -193.54268 767.35946
5550.0000 -200.66340 -192.60323 8.06017 2.54845 -193.79930 749.06423
5555.0000 -202.84907 -194.05872 8.79035 2.55186 -193.73488 776.30032
5560.0000 -201.40202 -192.83312 8.56890 2.56269 -193.53045 784.41647
5565.0000 -201.27123 -192.25560 9.01563 2.60685 -192.69700 801.94003
5570.0000 -200.79951 -192.61769 8.18182 2.65407 -191.80570 834.52422
5575.0000 -202.08202 -194.36767 7.71435 2.53762 -194.00364 757.68090
5580.0000 -201.40845 -192.41219 8.99626 2.57160 -193.36228 793.43314
5585.0000 -200.55582 -192.13815 8.41767 2.63925 -192.08551 836.14955
5590.0000 -198.29294 -189.33805 8.95489 2.72475 -190.47161 853.11790
5595.0000 -200.25082 -190.79411 9.45672 2.74098 -190.16541 911.71720
5600.0000 -200.81654 -193.17714 7.63939 2.62245 -192.40245 796.37591
5605.0000 -200.85538 -191.01086 9.84452 2.63961 -192.07856 827.36317
5610.0000 -200.86575 -192.28969 8.57606 2.64468 -191.98298 831.19979
5615.0000 -199.92810 -191.06834 8.85976 2.63316 -192.20033 824.71745
5620.0000 -201.29780 -192.66676 8.63104 2.64818 -191.91682 844.54081
5625.0000 -201.70606 -192.50216 9.20390 2.63064 -192.24792 812.39628
5630.0000 -200.25597 -191.28166 8.97431 2.69826 -190.97164 880.11697
5635.0000 -201.01910 -192.30589 8.71320 2.63344 -192.19513 818.15406
5640.0000 -200.50854 -192.67917 7.82936 2.62440 -192.36577 820.41462
5645.0000 -200.81776 -191.38696 9.43081 2.66278 -191.64134 831.57616
5650.0000 -200.72731 -190.35075 10.37655 2.71331 -190.68762 900.90636
5655.0000 -199.38947 -191.39903 7.99045 2.68541 -191.21412 864.78529
5660.0000 -200.60865 -192.29141 8.31724 2.66446 -191.60967 829.70614
5665.0000 -201.20117 -190.97293 10.22824 2.63054 -192.24979 834.37783
5670.0000 -200.86545 -191.75720 9.10825 2.64319 -192.01098 822.87440
5675.0000 -199.69444 -191.32297 8.37146 2.67644 -191.38357 850.90559
5680.0000 -198.99038 -189.07851 9.91187 2.75305 -189.93756 882.33570
5685.0000 -198.95487 -189.36636 9.58851 2.77188 -189.58212 910.11881
5690.0000 -200.38567 -190.96667 9.41900 2.73659 -190.24811 884.39083
5695.0000 -200.25436 -190.46335 9.79101 2.69486 -191.03590 839.92518
5700.0000 -199.36580 -191.64013 7.72567 2.67550 -191.40113 829.90402
5705.0000 -200.09540 -191.71978 8.37562 2.66015 -191.69097 850.90554
5710.0000 -201.10680 -192.52620 8.58060 2.63750 -192.11849 816.48933
5715.0000 -201.78014 -192.47677 9.30337 2.62537 -192.34745 817.94749
5720.0000 -200.01557 -191.69008 8.32549 2.64797 -191.92083 830.27552
5725.0000 -201.56146 -192.31312 9.24834 2.65443 -191.79885 819.07541
5730.0000 -201.53002 -193.36606 8.16396 2.62178 -192.41523 831.21796
5735.0000 -201.75940 -193.24936 8.51004 2.60885 -192.65918 818.14421
5740.0000 -200.95690 -193.10328 7.85362 2.57341 -193.32811 783.47081
5745.0000 -201.67673 -192.66507 9.01166 2.60177 -192.79292 800.70738
5750.0000 -200.37826 -191.43150 8.94676 2.62435 -192.36670 831.89100
MELTING PROCESS: loop number 24 T-loop= 875.00000000000000
main_MD> interactions number 24 at Temperature= 875.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.33168 0.53213 -1.18430
force_rgl> df(natom) 1.76094 0.26671 0.57246
5755.0000 -202.48064 -193.13849 9.34215 2.65327 -191.82085 826.95989
5760.0000 -199.78141 -190.83397 8.94744 2.65824 -191.72700 853.71099
5765.0000 -200.94482 -191.92770 9.01711 2.67119 -191.48265 858.02267
5770.0000 -200.46243 -192.22040 8.24203 2.64130 -192.04668 855.82645
5775.0000 -200.96335 -192.38001 8.58334 2.62548 -192.34538 830.35610
5780.0000 -201.45848 -193.79389 7.66459 2.62050 -192.43935 800.18254
5785.0000 -200.08090 -191.30144 8.77946 2.62658 -192.32462 817.63603
5790.0000 -200.13567 -191.52784 8.60783 2.64085 -192.05522 837.33878
5795.0000 -201.33702 -192.34726 8.98976 2.66766 -191.54912 836.67963
5800.0000 -200.22450 -191.38987 8.83463 2.64514 -191.97432 841.38227
5805.0000 -200.44818 -190.63873 9.80945 2.69372 -191.05740 858.65295
5810.0000 -201.34712 -193.47977 7.86735 2.63490 -192.16749 807.83841
5815.0000 -199.93626 -190.81557 9.12069 2.64578 -191.96216 826.05784
5820.0000 -200.62928 -191.36759 9.26169 2.67791 -191.35564 839.70944
5825.0000 -199.46075 -189.39132 10.06942 2.66672 -191.56685 832.52220
5830.0000 -198.76210 -189.84810 8.91400 2.76473 -189.71712 920.49485
5835.0000 -201.63015 -192.29535 9.33480 2.74062 -190.17220 932.48821
5840.0000 -200.46432 -192.60561 7.85871 2.59177 -192.98166 805.88540
5845.0000 -200.68015 -191.69611 8.98405 2.61488 -192.54542 820.07336
5850.0000 -200.11967 -190.74502 9.37465 2.64879 -191.90528 825.01090
5855.0000 -200.48306 -190.61189 9.87117 2.74202 -190.14561 889.20100
5860.0000 -199.75773 -189.72416 10.03357 2.74374 -190.11330 895.32186
5865.0000 -199.47768 -190.37362 9.10406 2.67919 -191.33150 849.03213
5870.0000 -199.75563 -190.75285 9.00278 2.70782 -190.79125 871.12382
5875.0000 -198.64942 -189.40011 9.24931 2.73110 -190.35185 885.08106
5880.0000 -199.08322 -188.44852 10.63469 2.76893 -189.63777 891.81202
5885.0000 -199.87222 -189.54743 10.32479 2.80472 -188.96222 926.04637
5890.0000 -199.68789 -189.69321 9.99468 2.80343 -188.98665 923.57014
5895.0000 -200.34066 -189.79925 10.54142 2.79349 -189.17417 925.32119
5900.0000 -198.45174 -189.68823 8.76351 2.76278 -189.75381 892.75647
5905.0000 -201.46179 -191.04095 10.42084 2.74940 -190.00642 896.57154
5910.0000 -199.77318 -190.58215 9.19103 2.71561 -190.64422 876.05693
5915.0000 -200.79182 -192.63997 8.15185 2.63294 -192.20461 825.38261
5920.0000 -202.18592 -192.23211 9.95381 2.65705 -191.74954 834.48466
5925.0000 -201.34460 -191.82972 9.51488 2.62937 -192.27182 820.34129
5930.0000 -200.20553 -193.31637 6.88916 2.64591 -191.95971 835.25422
5935.0000 -200.12008 -190.77921 9.34088 2.67403 -191.42890 856.08025
5940.0000 -199.80703 -188.62388 11.18315 2.72009 -190.55960 893.60890
5945.0000 -201.07431 -189.59784 11.47647 2.80542 -188.94906 933.08273
5950.0000 -200.27480 -192.14135 8.13344 2.72069 -190.54830 898.61205
5955.0000 -202.10120 -192.51260 9.58860 2.66737 -191.55464 859.28476
5960.0000 -200.69558 -192.71699 7.97859 2.59475 -192.92534 800.75209
5965.0000 -201.07164 -190.68639 10.38524 2.68181 -191.28207 865.39479
5970.0000 -198.83785 -190.01441 8.82344 2.73281 -190.31945 886.30582
5975.0000 -198.55260 -188.74039 9.81221 2.81802 -188.71114 938.47301
5980.0000 -197.25216 -188.61733 8.63482 2.78852 -189.26794 944.51628
5985.0000 -199.45535 -191.12732 8.32803 2.73885 -190.20544 845.42189
5990.0000 -199.66116 -189.84776 9.81340 2.77173 -189.58496 912.63970
5995.0000 -200.33559 -190.46353 9.87206 2.70341 -190.87441 867.81149
6000.0000 -199.39899 -190.77430 8.62468 2.71389 -190.67661 872.17415
MELTING PROCESS: loop number 25 T-loop= 900.00000000000000
main_MD> interactions number 25 at Temperature= 900.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.60178 -1.35359 4.35772
force_rgl> df(natom) 2.11431 4.16948 0.42174
6005.0000 -199.52189 -188.94347 10.57843 2.74042 -190.17589 896.65559
6010.0000 -200.99710 -191.30477 9.69233 2.72132 -190.53638 891.20073
6015.0000 -200.08040 -191.46130 8.61910 2.67709 -191.37112 867.67171
6020.0000 -197.53070 -188.44473 9.08596 2.74007 -190.18253 879.16417
6025.0000 -200.12821 -189.51383 10.61438 2.79316 -189.18042 921.57318
6030.0000 -199.18245 -189.53945 9.64300 2.79876 -189.07480 951.07758
6035.0000 -198.88939 -189.39020 9.49919 2.76040 -189.79877 930.17294
6040.0000 -199.62275 -188.62971 10.99304 2.83920 -188.31149 969.13639
6045.0000 -198.85524 -190.09995 8.75529 2.76510 -189.71004 888.31484
6050.0000 -199.78595 -189.57421 10.21174 2.75252 -189.94749 902.41177
6055.0000 -200.42624 -190.88664 9.53960 2.75873 -189.83024 919.24380
6060.0000 -199.78056 -189.47484 10.30572 2.74676 -190.05614 878.80133
6065.0000 -198.99027 -188.91535 10.07492 2.72458 -190.47489 891.60218
6070.0000 -198.95662 -188.70577 10.25086 2.80892 -188.88303 907.13559
6075.0000 -199.90086 -190.94658 8.95428 2.75623 -189.87744 883.36467
6080.0000 -202.25898 -193.78105 8.47794 2.64099 -192.05266 804.55871
6085.0000 -200.56431 -192.56205 8.00226 2.58420 -193.12452 797.57056
6090.0000 -202.04721 -192.57713 9.47008 2.65051 -191.87288 847.61645
6095.0000 -199.66724 -190.37465 9.29259 2.63287 -192.20587 848.31127
6100.0000 -197.65993 -189.93606 7.72387 2.72825 -190.40550 861.77006
6105.0000 -199.34457 -190.45765 8.88692 2.76522 -189.70771 869.49185
6110.0000 -199.86022 -189.97518 9.88504 2.74022 -190.17965 890.40143
6115.0000 -200.67469 -190.98310 9.69159 2.75367 -189.92571 903.55098
6120.0000 -199.59040 -190.58561 9.00479 2.68224 -191.27402 860.00895
6125.0000 -201.07856 -191.73886 9.33970 2.69534 -191.02679 865.58727
6130.0000 -199.44331 -189.29671 10.14660 2.68799 -191.16557 880.31838
6135.0000 -198.96510 -189.65166 9.31344 2.79608 -189.12532 932.43936
6140.0000 -196.83897 -185.63368 11.20529 2.83925 -188.31048 958.19848
6145.0000 -198.83899 -187.61455 11.22444 2.88284 -187.48771 972.03808
6150.0000 -199.16194 -188.02235 11.13959 2.88039 -187.53395 971.88764
6155.0000 -198.33989 -188.17573 10.16415 2.81731 -188.72471 924.18291
6160.0000 -199.70169 -187.06674 12.63496 2.90829 -187.00737 991.13515
6165.0000 -201.05985 -189.89173 11.16812 2.83634 -188.36552 931.52273
6170.0000 -199.96058 -189.61071 10.34988 2.72952 -190.38157 881.29997
6175.0000 -197.27228 -187.98525 9.28703 2.83956 -188.30462 961.01880
6180.0000 -199.23567 -189.00835 10.22732 2.78692 -189.29824 926.29959
6185.0000 -197.71862 -188.24103 9.47760 2.80770 -188.90610 940.61730
6190.0000 -200.13093 -191.06234 9.06859 2.75551 -189.89113 908.30511
6195.0000 -199.62092 -190.10158 9.51933 2.76001 -189.80613 907.95990
6200.0000 -198.25380 -189.07343 9.18037 2.81493 -188.76958 938.03617
6205.0000 -199.68231 -191.13434 8.54797 2.76885 -189.63921 923.47340
6210.0000 -199.34060 -190.35887 8.98173 2.69262 -191.07810 851.01371
6215.0000 -198.94936 -189.56755 9.38181 2.72165 -190.53018 891.39784
6220.0000 -199.25684 -191.20524 8.05159 2.78407 -189.35193 925.71156
6225.0000 -201.29364 -191.12486 10.16878 2.69091 -191.11042 862.20177
6230.0000 -199.17236 -187.99448 11.17788 2.76313 -189.74720 918.63556
6235.0000 -197.54182 -187.43115 10.11067 2.83741 -188.34521 957.37559
6240.0000 -197.93310 -187.41808 10.51502 2.85257 -188.05903 964.79623
6245.0000 -198.98332 -190.69737 8.28594 2.80293 -188.99613 961.36798
6250.0000 -199.49541 -189.55599 9.93942 2.70347 -190.87335 868.56523
MELTING PROCESS: loop number 26 T-loop= 925.00000000000000
main_MD> interactions number 26 at Temperature= 925.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.77577 1.54586 -1.18792
force_rgl> df(natom) -7.32488 3.74043 -6.38016
6255.0000 -198.03510 -189.58069 8.45441 2.79084 -189.22426 920.77009
6260.0000 -198.50028 -187.75918 10.74110 2.79854 -189.07885 924.91838
6265.0000 -197.21418 -186.60282 10.61136 2.88103 -187.52185 964.63906
6270.0000 -199.23766 -188.46393 10.77373 2.86686 -187.78941 957.48240
6275.0000 -198.29538 -189.01078 9.28460 2.76931 -189.63069 928.10133
6280.0000 -199.71500 -189.20790 10.50710 2.81582 -188.75278 939.34268
6285.0000 -200.43520 -190.66143 9.77377 2.71691 -190.61967 873.41460
6290.0000 -201.96169 -190.92600 11.03570 2.69493 -191.03455 882.12642
6295.0000 -199.72753 -191.02138 8.70615 2.70162 -190.90822 884.06538
6300.0000 -201.05787 -191.08632 9.97155 2.69581 -191.01788 879.11456
6305.0000 -200.32132 -192.09922 8.22210 2.70449 -190.85408 873.65148
6310.0000 -200.70501 -190.16865 10.53636 2.72931 -190.38561 891.44793
6315.0000 -199.41736 -187.94635 11.47101 2.76105 -189.78644 889.00937
6320.0000 -198.79016 -189.04542 9.74474 2.80744 -188.91090 919.30356
6325.0000 -198.68162 -188.16137 10.52025 2.79288 -189.18569 930.51526
6330.0000 -199.57858 -189.60410 9.97448 2.79012 -189.23792 926.69043
6335.0000 -198.05159 -188.07959 9.97201 2.79993 -189.05263 941.95037
6340.0000 -199.44094 -189.93165 9.50929 2.79824 -189.08449 915.58131
6345.0000 -199.38137 -190.04088 9.34049 2.71171 -190.71783 881.81510
6350.0000 -199.08233 -189.71743 9.36490 2.74604 -190.06982 886.97699
6355.0000 -198.78294 -188.28615 10.49679 2.82662 -188.54899 953.51118
6360.0000 -200.76936 -190.75808 10.01129 2.79940 -189.06261 950.38625
6365.0000 -197.77871 -186.63053 11.14818 2.84423 -188.21646 972.87754
6370.0000 -198.97565 -190.36061 8.61505 2.84709 -188.16255 966.49073
6375.0000 -199.49360 -189.81531 9.67830 2.73819 -190.21793 884.63529
6380.0000 -198.55829 -190.60960 7.94869 2.75879 -189.82920 885.85378
6385.0000 -198.52410 -190.42320 8.10090 2.67850 -191.34460 838.79105
6390.0000 -199.20071 -188.32791 10.87279 2.77022 -189.61345 883.08849
6395.0000 -198.35975 -188.73091 9.62884 2.80196 -189.01444 907.81089
6400.0000 -198.18710 -187.32114 10.86596 2.88844 -187.38213 963.75663
6405.0000 -196.26715 -184.58578 11.68137 2.98749 -185.51255 1069.06811
6410.0000 -198.02608 -187.30554 10.72054 2.96401 -185.95577 1044.76220
6415.0000 -197.36416 -188.15765 9.20651 2.87281 -187.67709 958.21650
6420.0000 -199.31747 -189.99335 9.32412 2.74252 -190.13626 880.23761
6425.0000 -196.98184 -186.44905 10.53279 2.81797 -188.71224 928.80475
6430.0000 -197.09839 -187.63801 9.46037 2.93008 -186.59617 1000.60742
6435.0000 -198.82250 -189.54350 9.27900 2.81068 -188.84970 927.58566
6440.0000 -199.12852 -188.53740 10.59112 2.87288 -187.67583 1013.05126
6445.0000 -199.56308 -190.12488 9.43821 2.77204 -189.57899 903.05544
6450.0000 -198.68201 -188.69898 9.98303 2.77470 -189.52879 932.40660
6455.0000 -198.99242 -189.79702 9.19540 2.85067 -188.09489 965.57934
6460.0000 -198.51375 -188.81376 9.69999 2.80725 -188.91441 942.70050
6465.0000 -200.41672 -191.75102 8.66571 2.69089 -191.11075 847.71349
6470.0000 -198.99525 -190.05285 8.94240 2.71720 -190.61423 895.71365
6475.0000 -199.33082 -190.43874 8.89208 2.76990 -189.61950 932.89204
6480.0000 -198.48339 -188.18766 10.29573 2.78842 -189.26992 918.25317
6485.0000 -200.30928 -190.23952 10.06976 2.78526 -189.32955 923.58066
6490.0000 -200.01943 -190.84282 9.17661 2.67099 -191.48630 855.80277
6495.0000 -200.10616 -191.04234 9.06382 2.70819 -190.78412 872.00731
6500.0000 -197.56718 -188.42788 9.13930 2.74709 -190.05002 901.48708
MELTING PROCESS: loop number 27 T-loop= 950.00000000000000
main_MD> interactions number 27 at Temperature= 950.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.90632 -0.08626 -0.34613
force_rgl> df(natom) 1.83828 1.16589 2.21454
6505.0000 -197.49505 -186.76180 10.73325 2.85541 -188.00546 939.34551
6510.0000 -197.65324 -186.96828 10.68496 2.92138 -186.76034 1027.30107
6515.0000 -197.99730 -187.59687 10.40042 2.93089 -186.58085 1001.69459
6520.0000 -198.46534 -188.75223 9.71312 2.88390 -187.46783 999.81205
6525.0000 -198.09762 -188.13066 9.96696 2.81190 -188.82679 945.31207
6530.0000 -198.98047 -190.65336 8.32711 2.81095 -188.84475 917.76338
6535.0000 -197.84738 -189.42638 8.42100 2.75639 -189.87440 893.66487
6540.0000 -197.69935 -187.54276 10.15659 2.79454 -189.15434 923.81793
6545.0000 -199.24070 -188.47472 10.76598 2.89316 -187.29297 1005.77925
6550.0000 -198.56092 -189.40049 9.16044 2.81634 -188.74303 924.12487
6555.0000 -199.43413 -190.41391 9.02021 2.73177 -190.33920 889.99318
6560.0000 -197.82957 -186.79366 11.03591 2.83994 -188.29742 946.79181
6565.0000 -200.11568 -188.36865 11.74702 2.92221 -186.74468 1004.98818
6570.0000 -198.47874 -188.05316 10.42557 2.86419 -187.83972 975.11816
6575.0000 -199.69756 -190.43529 9.26228 2.77704 -189.48467 912.77678
6580.0000 -198.64095 -188.13583 10.50512 2.74943 -190.00587 911.95622
6585.0000 -196.72423 -185.94156 10.78267 2.88772 -187.39575 1001.60898
6590.0000 -198.15952 -186.19704 11.96247 2.96188 -185.99585 1008.72386
6595.0000 -197.87172 -186.75571 11.11601 2.93215 -186.55713 985.96815
6600.0000 -195.96960 -185.74517 10.22444 2.89285 -187.29876 966.16632
6605.0000 -198.47584 -186.82696 11.64888 2.94545 -186.30603 1022.02322
6610.0000 -197.53226 -187.53687 9.99539 2.89888 -187.18505 990.66577
6615.0000 -199.73700 -189.01173 10.72527 2.88042 -187.53349 1001.33860
6620.0000 -199.12367 -188.94695 10.17672 2.81382 -188.79045 942.14354
6625.0000 -195.90848 -187.51646 8.39202 2.85314 -188.04835 958.92203
6630.0000 -195.49294 -185.48514 10.00780 3.00924 -185.10201 1065.47435
6635.0000 -196.29813 -186.32899 9.96914 2.93870 -186.43338 977.28185
6640.0000 -199.50924 -188.97862 10.53062 2.86114 -187.89745 984.17023
6645.0000 -197.14965 -187.63669 9.51296 2.83363 -188.41657 951.37096
6650.0000 -199.02751 -187.94639 11.08112 2.84547 -188.19317 961.19217
6655.0000 -198.62052 -190.01461 8.60591 2.80061 -189.03974 933.03167
6660.0000 -197.99929 -188.18150 9.81779 2.83706 -188.35183 983.58829
6665.0000 -201.34971 -191.97532 9.37439 2.75330 -189.93272 924.89399
6670.0000 -200.89927 -191.06312 9.83615 2.65500 -191.78811 830.94294
6675.0000 -198.93424 -189.29349 9.64075 2.76970 -189.62331 915.35224
6680.0000 -198.10026 -188.27982 9.82044 2.80768 -188.90640 928.56970
6685.0000 -197.21638 -186.51118 10.70520 2.90768 -187.01886 981.42449
6690.0000 -199.13300 -188.03588 11.09712 2.90011 -187.16175 987.08493
6695.0000 -199.46435 -188.89453 10.56982 2.83508 -188.38925 951.68452
6700.0000 -197.60748 -187.02540 10.58208 2.85710 -187.97363 972.21504
6705.0000 -199.50292 -188.53453 10.96840 2.88302 -187.48437 986.25676
6710.0000 -198.80747 -188.16708 10.64039 2.80672 -188.92447 938.15662
6715.0000 -200.55808 -189.70435 10.85373 2.75961 -189.81378 891.27982
6720.0000 -199.59665 -189.19541 10.40124 2.72848 -190.40124 893.88799
6725.0000 -198.39513 -187.82159 10.57354 2.89539 -187.25085 1013.15213
6730.0000 -195.70995 -184.52515 11.18480 2.88837 -187.38341 994.17376
6735.0000 -198.75500 -187.10485 11.65015 2.92569 -186.67896 1012.93539
6740.0000 -198.51816 -189.20088 9.31728 2.80868 -188.88749 915.35750
6745.0000 -200.82348 -189.31423 11.50924 2.78597 -189.31619 908.04639
6750.0000 -198.90825 -190.33328 8.57497 2.78829 -189.27239 926.37699
MELTING PROCESS: loop number 28 T-loop= 975.00000000000000
main_MD> interactions number 28 at Temperature= 975.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.25607 0.40895 -2.04561
force_rgl> df(natom) -2.86656 -0.54364 -0.28136
6755.0000 -197.31626 -188.03823 9.27803 2.78556 -189.32397 931.12075
6760.0000 -200.96195 -190.22452 10.73743 2.76904 -189.63571 917.59619
6765.0000 -197.89854 -187.16568 10.73287 2.79501 -189.14554 918.23896
6770.0000 -197.96029 -186.70064 11.25965 2.90714 -187.02910 1011.12467
6775.0000 -195.93896 -185.14804 10.79092 2.97571 -185.73488 1046.95734
6780.0000 -196.41920 -186.13030 10.28890 2.93622 -186.48035 993.66541
6785.0000 -196.22022 -186.64925 9.57097 2.94104 -186.38929 1031.10127
6790.0000 -196.44618 -187.28719 9.15899 2.89733 -187.21429 981.97455
6795.0000 -198.52485 -189.71751 8.80734 2.83845 -188.32570 942.62746
6800.0000 -198.83582 -188.54905 10.28678 2.80251 -189.00406 954.15863
6805.0000 -197.98079 -187.39932 10.58147 2.84326 -188.23492 955.57947
6810.0000 -200.00525 -187.81923 12.18602 2.85645 -187.98580 992.40395
6815.0000 -198.17508 -187.54716 10.62792 2.90122 -187.14085 1013.77438
6820.0000 -198.20855 -187.33173 10.87682 2.84133 -188.27128 994.65790
6825.0000 -198.42640 -188.57852 9.84787 2.89699 -187.22069 982.78301
6830.0000 -199.98576 -188.44560 11.54016 2.81115 -188.84082 911.27108
6835.0000 -198.65773 -187.62678 11.03095 2.83480 -188.39456 970.83251
6840.0000 -199.47615 -189.01778 10.45837 2.82123 -188.65072 941.64485
6845.0000 -200.64724 -190.34563 10.30161 2.79344 -189.17510 947.21386
6850.0000 -200.51212 -188.73777 11.77436 2.77967 -189.43505 929.41303
6855.0000 -200.41171 -188.75545 11.65625 2.82229 -188.63055 944.04232
6860.0000 -197.48214 -187.66209 9.82005 2.81912 -188.69047 954.92811
6865.0000 -195.72272 -186.77763 8.94509 2.83955 -188.30492 942.74803
6870.0000 -196.38097 -185.51204 10.86894 2.94214 -186.36846 1016.88364
6875.0000 -196.57244 -186.39068 10.18176 2.96215 -185.99083 1021.15004
6880.0000 -199.38085 -189.13704 10.24381 2.85461 -188.02067 985.79196
6885.0000 -200.02772 -189.62894 10.39878 2.79151 -189.21152 946.97430
6890.0000 -198.08153 -186.61168 11.46985 2.81510 -188.76625 940.39280
6895.0000 -197.60186 -186.08856 11.51330 2.93385 -186.52498 1015.32300
6900.0000 -197.42988 -187.23146 10.19842 2.97632 -185.72342 1043.86062
6905.0000 -198.17494 -187.94110 10.23384 2.88114 -187.51985 986.49475
6910.0000 -199.93612 -188.61180 11.32432 2.86543 -187.81643 993.76019
6915.0000 -197.59395 -188.15381 9.44014 2.84296 -188.24059 995.50229
6920.0000 -198.22869 -188.95214 9.27655 2.84206 -188.25756 953.42830
6925.0000 -198.53166 -188.04302 10.48864 2.84018 -188.29296 949.38731
6930.0000 -199.45793 -187.34100 12.11693 2.81682 -188.73392 957.50589
6935.0000 -198.31726 -187.23181 11.08544 2.90719 -187.02811 992.83972
6940.0000 -198.64215 -188.44150 10.20065 2.89766 -187.20810 999.48257
6945.0000 -198.75954 -188.23982 10.51972 2.85838 -187.94946 953.04245
6950.0000 -196.92273 -186.46942 10.45331 2.86441 -187.83569 974.08777
6955.0000 -199.54381 -189.64347 9.90034 2.81233 -188.81859 930.60019
6960.0000 -199.72887 -189.84506 9.88381 2.77355 -189.55060 903.04795
6965.0000 -197.83181 -187.81905 10.01277 2.81320 -188.80215 931.26328
6970.0000 -198.51973 -188.69995 9.81978 2.82292 -188.61880 923.32109
6975.0000 -199.04344 -186.97210 12.07134 2.85959 -187.92652 953.74813
6980.0000 -198.71156 -188.68104 10.03053 2.83729 -188.34758 962.51419
6985.0000 -198.32586 -187.93009 10.39577 2.78069 -189.41590 933.91103
6990.0000 -198.46138 -187.68755 10.77383 2.82609 -188.55885 956.21274
6995.0000 -196.28518 -187.10397 9.18121 2.89142 -187.32589 980.82981
7000.0000 -197.70109 -188.25766 9.44343 2.84349 -188.23052 938.59082
MELTING PROCESS: loop number 29 T-loop= 1000.0000000000000
main_MD> interactions number 29 at Temperature= 1000.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.69646 -6.09692 1.98496
force_rgl> df(natom) 1.23337 6.21351 -2.24698
7005.0000 -195.23423 -184.22320 11.01103 2.97960 -185.66142 1046.23017
7010.0000 -196.62967 -186.35855 10.27112 3.00198 -185.23911 1060.99727
7015.0000 -197.78093 -188.02838 9.75255 2.90065 -187.15162 991.14120
7020.0000 -196.69256 -186.79781 9.89475 2.88415 -187.46302 992.72664
7025.0000 -197.74729 -186.44583 11.30146 2.85964 -187.92559 950.38930
7030.0000 -198.19134 -187.86032 10.33103 2.84220 -188.25489 976.96812
7035.0000 -197.21578 -187.70062 9.51516 2.89049 -187.34345 1001.36292
7040.0000 -199.69878 -189.99902 9.69976 2.86047 -187.91002 974.00044
7045.0000 -198.05131 -189.11368 8.93762 2.82724 -188.53720 958.22792
7050.0000 -198.40162 -188.30408 10.09753 2.83861 -188.32257 966.36101
7055.0000 -196.67228 -184.31031 12.36197 2.89890 -187.18465 1006.53906
7060.0000 -196.51933 -185.67783 10.84150 3.02069 -184.88592 1050.67118
7065.0000 -196.53120 -186.83430 9.69690 2.91799 -186.82438 996.66591
7070.0000 -196.86929 -186.95892 9.91037 2.86331 -187.85639 971.74173
7075.0000 -199.68336 -189.36607 10.31729 2.87959 -187.54912 984.36709
7080.0000 -197.77404 -186.04376 11.73027 2.92147 -186.75857 1038.53524
7085.0000 -198.09453 -187.19876 10.89576 2.92102 -186.76724 988.19532
7090.0000 -195.95272 -185.51856 10.43416 2.98223 -185.61186 1037.06335
7095.0000 -196.25483 -185.42435 10.83048 2.99191 -185.42910 1005.86389
7100.0000 -198.65258 -187.71527 10.93731 2.93514 -186.50070 1000.10834
7105.0000 -198.89387 -188.09478 10.79910 2.90630 -187.04490 1015.90752
7110.0000 -199.68768 -189.08625 10.60143 2.88378 -187.47002 998.42376
7115.0000 -197.29412 -187.78880 9.50532 2.82160 -188.64368 932.80737
7120.0000 -195.79443 -185.22130 10.57313 2.91873 -186.81033 1002.61181
7125.0000 -199.09622 -188.10605 10.99018 2.94275 -186.35705 1008.95810
7130.0000 -198.66197 -187.63879 11.02318 2.88198 -187.50403 995.43836
7135.0000 -198.59786 -187.68254 10.91532 2.94064 -186.39685 992.47969
7140.0000 -196.52919 -185.77741 10.75178 2.93174 -186.56483 1017.17107
7145.0000 -196.80139 -187.41896 9.38243 2.96285 -185.97756 1044.15120
7150.0000 -196.09366 -185.60117 10.49248 2.91576 -186.86646 1006.59293
7155.0000 -197.65325 -185.34979 12.30346 3.02141 -184.87233 1074.85966
7160.0000 -198.63116 -187.58643 11.04472 2.93325 -186.53635 1029.16230
7165.0000 -196.20196 -184.32127 11.88069 2.99559 -185.35972 1039.02043
7170.0000 -196.37739 -186.90203 9.47535 2.99577 -185.35620 1021.21244
7175.0000 -197.07438 -186.83014 10.24424 2.93102 -186.57848 998.20812
7180.0000 -198.40989 -187.55801 10.85188 2.84919 -188.12282 954.22070
7185.0000 -198.57971 -188.41841 10.16131 2.87049 -187.72079 980.03001
7190.0000 -197.86224 -187.14251 10.71973 2.83237 -188.44039 941.29309
7195.0000 -198.33519 -186.92781 11.40738 2.90899 -186.99417 990.91957
7200.0000 -196.42647 -187.46654 8.95993 2.90950 -186.98465 985.70517
7205.0000 -198.35359 -187.65088 10.70272 2.90195 -187.12710 994.06299
7210.0000 -198.59112 -188.37408 10.21704 2.86480 -187.82826 944.30089
7215.0000 -199.95794 -189.44876 10.50917 2.78547 -189.32554 932.24479
7220.0000 -196.42893 -186.32401 10.10492 2.83487 -188.39317 939.64557
7225.0000 -197.36115 -186.58143 10.77973 2.86993 -187.73153 964.20937
7230.0000 -196.80293 -184.69965 12.10328 3.01186 -185.05261 1058.61395
7235.0000 -199.17500 -189.40496 9.77004 2.92859 -186.62425 1049.42166
7240.0000 -198.34194 -187.28229 11.05965 2.79998 -189.05175 942.06769
7245.0000 -198.53319 -188.60843 9.92475 2.87154 -187.70101 979.03910
7250.0000 -197.01541 -185.86778 11.14763 2.90429 -187.08289 990.76830
MELTING PROCESS: loop number 30 T-loop= 1025.0000000000000
main_MD> interactions number 30 at Temperature= 1025.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.22839 -0.66353 1.43835
force_rgl> df(natom) 1.89895 -1.52636 3.04728
7255.0000 -197.95866 -185.96422 11.99444 2.97196 -185.80565 1025.21008
7260.0000 -195.95794 -184.33765 11.62029 2.96003 -186.03086 1062.85248
7265.0000 -197.13637 -186.42818 10.70819 2.97937 -185.66590 1041.58762
7270.0000 -197.24944 -187.64452 9.60492 2.95466 -186.13218 1004.88990
7275.0000 -197.01081 -185.56547 11.44534 2.90737 -187.02475 1004.25131
7280.0000 -194.90816 -186.33298 8.57518 3.00166 -185.24517 1028.15886
7285.0000 -197.92007 -187.61368 10.30639 2.88259 -187.49241 945.48807
7290.0000 -198.30213 -187.70418 10.59794 2.89520 -187.25451 991.81714
7295.0000 -201.47317 -191.91856 9.55461 2.79352 -189.17367 949.58842
7300.0000 -198.51166 -189.96409 8.54757 2.72921 -190.38743 904.92941
7305.0000 -198.34071 -188.33985 10.00087 2.79723 -189.10365 929.41274
7310.0000 -199.37301 -188.09230 11.28071 2.81244 -188.81660 949.60764
7315.0000 -196.78275 -186.48434 10.29841 2.92275 -186.73442 993.08597
7320.0000 -197.70522 -187.24041 10.46482 2.92925 -186.61177 1000.45708
7325.0000 -199.94579 -189.81504 10.13075 2.87776 -187.58372 1007.84318
7330.0000 -201.22986 -189.48568 11.74418 2.78974 -189.24492 922.96513
7335.0000 -196.39884 -184.82884 11.57000 2.88876 -187.37603 963.21398
7340.0000 -197.17235 -188.66798 8.50437 2.90554 -187.05933 988.63043
7345.0000 -198.58155 -186.67086 11.91069 2.88323 -187.48041 984.37065
7350.0000 -197.19211 -187.04324 10.14887 2.89754 -187.21039 1006.73132
7355.0000 -197.79891 -187.49406 10.30484 2.84669 -188.17017 955.61525
7360.0000 -196.97321 -186.14662 10.82659 2.91799 -186.82425 998.91833
7365.0000 -196.02474 -183.75568 12.26907 2.99228 -185.42223 1056.14021
7370.0000 -195.96693 -185.09512 10.87180 3.07933 -183.77911 1132.98057
7375.0000 -198.43913 -187.60430 10.83482 2.87784 -187.58206 974.70838
7380.0000 -197.74975 -187.65399 10.09576 2.93282 -186.54439 976.27623
7385.0000 -198.53225 -187.91519 10.61707 2.85916 -187.93468 966.18225
7390.0000 -196.59523 -186.43474 10.16049 2.93307 -186.53968 982.62578
7395.0000 -196.39233 -184.09639 12.29594 2.99244 -185.41915 1037.41226
7400.0000 -195.91784 -184.20705 11.71079 3.02354 -184.83209 1100.08924
7405.0000 -195.31129 -182.59691 12.71437 3.06048 -184.13493 1100.80511
7410.0000 -194.52911 -182.64719 11.88192 3.10996 -183.20100 1106.79786
7415.0000 -195.34964 -184.06974 11.27990 2.99088 -185.44851 1054.76475
7420.0000 -195.94055 -184.15747 11.78308 3.04497 -184.42772 1087.14558
7425.0000 -196.09022 -186.65218 9.43804 2.97516 -185.74519 1040.71460
7430.0000 -196.57652 -185.22106 11.35546 2.94401 -186.33324 992.85688
7435.0000 -197.34726 -186.76753 10.57973 2.94980 -186.22400 1021.00382
7440.0000 -195.91854 -185.47136 10.44718 2.94503 -186.31393 1016.92782
7445.0000 -197.51378 -187.68740 9.82638 2.91987 -186.78882 1019.97341
7450.0000 -196.47469 -185.54700 10.92769 2.93233 -186.55363 1025.36338
7455.0000 -195.86188 -185.75790 10.10398 2.94829 -186.25241 1003.14330
7460.0000 -196.45504 -185.24041 11.21464 3.04271 -184.47031 1074.46253
7465.0000 -199.44872 -189.20428 10.24444 2.94058 -186.39801 1036.69407
7470.0000 -197.18186 -185.69627 11.48559 2.85466 -188.01974 967.47317
7475.0000 -195.47010 -184.57424 10.89586 3.01181 -185.05358 1065.33684
7480.0000 -196.69612 -185.67877 11.01735 2.94370 -186.33916 1026.43972
7485.0000 -197.45992 -186.41398 11.04594 3.00373 -185.20605 1083.21502
7490.0000 -198.65530 -188.35913 10.29616 2.94471 -186.32000 1027.08593
7495.0000 -197.28451 -186.89156 10.39295 2.89959 -187.17167 1005.36147
7500.0000 -196.78794 -187.03007 9.75786 2.86957 -187.73831 987.65854
MELTING PROCESS: loop number 31 T-loop= 1050.0000000000000
main_MD> interactions number 31 at Temperature= 1050.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.67500 -0.14855 -0.88901
force_rgl> df(natom) 0.68032 5.70031 -2.08972
7505.0000 -197.54982 -185.58681 11.96300 2.95463 -186.13271 1020.15940
7510.0000 -196.71188 -183.45929 13.25258 3.04249 -184.47439 1107.92407
7515.0000 -196.23363 -185.11201 11.12162 3.01955 -184.90752 1074.37781
7520.0000 -196.33697 -185.92511 10.41186 3.01993 -184.90029 1071.11679
7525.0000 -194.97251 -185.01809 9.95441 2.99957 -185.28460 1052.72442
7530.0000 -195.65307 -185.38421 10.26886 3.04310 -184.46298 1082.64614
7535.0000 -195.79312 -185.18513 10.60799 2.99818 -185.31076 1028.08941
7540.0000 -198.65678 -187.22595 11.43082 2.92907 -186.61527 1001.94718
7545.0000 -198.51730 -186.94033 11.57698 2.89712 -187.21822 1009.24043
7550.0000 -197.76860 -187.98497 9.78363 2.87103 -187.71064 981.74791
7555.0000 -196.35718 -184.73822 11.61896 2.91784 -186.82720 1011.55675
7560.0000 -197.56958 -185.67747 11.89212 2.95382 -186.14812 1018.31303
7565.0000 -195.87236 -184.52330 11.34906 3.01833 -184.93039 1074.11728
7570.0000 -196.43725 -185.87508 10.56217 2.98988 -185.46749 1045.12398
7575.0000 -195.67812 -186.35704 9.32107 3.03170 -184.67813 1066.55703
7580.0000 -198.01070 -184.63003 13.38067 3.02830 -184.74222 1076.32064
7585.0000 -196.74108 -185.53848 11.20260 2.98285 -185.60019 1053.54415
7590.0000 -196.00295 -184.53912 11.46382 3.01667 -184.96180 1051.38023
7595.0000 -196.34180 -184.94527 11.39653 3.01462 -185.00040 1056.34091
7600.0000 -196.21965 -185.62225 10.59740 3.01070 -185.07452 1050.80210
7605.0000 -197.26326 -187.81965 9.44361 2.94584 -186.29875 1017.39740
7610.0000 -197.04455 -184.71151 12.33304 2.95333 -186.15731 1029.10928
7615.0000 -196.83050 -185.18344 11.64706 3.03059 -184.69899 1084.57295
7620.0000 -196.51272 -185.59893 10.91378 3.04829 -184.36499 1101.99870
7625.0000 -196.80344 -184.86820 11.93524 3.01751 -184.94601 1068.66100
7630.0000 -196.20546 -186.01345 10.19201 2.99388 -185.39187 1029.97140
7635.0000 -197.06940 -186.26764 10.80176 2.99375 -185.39444 1057.72810
7640.0000 -196.72712 -185.63348 11.09363 2.94237 -186.36410 1030.32946
7645.0000 -194.01467 -181.50637 12.50830 3.07750 -183.81369 1121.36417
7650.0000 -195.87508 -184.03828 11.83680 3.16394 -182.18215 1156.88897
7655.0000 -196.49815 -184.99941 11.49875 3.08531 -183.66634 1122.57363
7660.0000 -193.77562 -182.36999 11.40564 3.09184 -183.54292 1118.56916
7665.0000 -194.74178 -185.63388 9.10789 3.10205 -183.35037 1116.18289
7670.0000 -196.08517 -185.66552 10.41964 3.01887 -184.92026 1071.99044
7675.0000 -195.46321 -183.46017 12.00304 3.04609 -184.40653 1080.48400
7680.0000 -194.70223 -185.18528 9.51695 3.02612 -184.78345 1066.33015
7685.0000 -198.25387 -187.42863 10.82524 2.95514 -186.12313 1042.42264
7690.0000 -196.61705 -183.95545 12.66161 2.99499 -185.37106 1050.92856
7695.0000 -194.68219 -183.12841 11.55378 3.03657 -184.58619 1090.94774
7700.0000 -195.00445 -182.50843 12.49603 3.11530 -183.10022 1134.75541
7705.0000 -196.11557 -183.53997 12.57560 3.13586 -182.71218 1150.44670
7710.0000 -193.56139 -181.69448 11.86690 3.10451 -183.30389 1121.20926
7715.0000 -198.03985 -185.28623 12.75362 3.11737 -183.06105 1130.94862
7720.0000 -197.12636 -186.35392 10.77244 2.96325 -185.97000 1038.93024
7725.0000 -198.88963 -187.68285 11.20678 2.89030 -187.34693 981.89301
7730.0000 -196.74180 -186.54511 10.19670 2.87297 -187.67405 974.86402
7735.0000 -196.41857 -186.44715 9.97141 2.91961 -186.79377 1010.67176
7740.0000 -198.14021 -186.47510 11.66511 2.95885 -186.05316 1039.10428
7745.0000 -197.96079 -187.49489 10.46590 2.92949 -186.60735 1041.43158
7750.0000 -196.41679 -184.64138 11.77541 2.92105 -186.76664 992.23644
MELTING PROCESS: loop number 32 T-loop= 1075.0000000000000
main_MD> interactions number 32 at Temperature= 1075.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.32937 2.98988 2.50939
force_rgl> df(natom) -1.86287 -0.30441 -0.11126
7755.0000 -196.67993 -184.97195 11.70798 3.02897 -184.72957 1075.89362
7760.0000 -197.76987 -185.71426 12.05561 3.04469 -184.43287 1085.24615
7765.0000 -197.13542 -186.17686 10.95856 2.97021 -185.83878 1041.80570
7770.0000 -198.74580 -185.26823 13.47757 2.97878 -185.67695 1050.63079
7775.0000 -197.17427 -185.42994 11.74433 3.00125 -185.25278 1092.40603
7780.0000 -199.84840 -188.25875 11.58965 2.90808 -187.01138 979.37332
7785.0000 -197.09597 -187.23467 9.86130 2.89765 -187.20824 987.80803
7790.0000 -197.32990 -185.92923 11.40067 2.94839 -186.25054 1034.87691
7795.0000 -198.22035 -187.18236 11.03799 2.94245 -186.36271 1031.05999
7800.0000 -196.22093 -185.60331 10.61762 2.94547 -186.30559 1039.59040
7805.0000 -197.89661 -186.66122 11.23539 2.95135 -186.19467 1046.01650
7810.0000 -196.80835 -187.03023 9.77813 2.95473 -186.13096 1007.85000
7815.0000 -197.63613 -185.52608 12.11006 2.91840 -186.81661 965.28781
7820.0000 -193.88532 -183.09061 10.79471 2.96246 -185.98505 1049.41497
7825.0000 -195.76263 -183.80732 11.95531 3.05316 -184.27314 1071.03076
7830.0000 -198.31973 -188.07842 10.24132 2.90518 -187.06608 985.33915
7835.0000 -198.11703 -186.94206 11.17497 2.85760 -187.96413 987.75997
7840.0000 -198.28981 -186.70672 11.58308 2.89150 -187.32425 996.43713
7845.0000 -196.23813 -184.32532 11.91281 2.97810 -185.68972 1007.51034
7850.0000 -196.00722 -184.33401 11.67320 3.07581 -183.84561 1104.81674
7855.0000 -194.52857 -182.72284 11.80573 3.05870 -184.16858 1042.78224
7860.0000 -194.49421 -181.34491 13.14930 3.14325 -182.57264 1127.03939
7865.0000 -195.98416 -183.17850 12.80566 3.10565 -183.28237 1126.76160
7870.0000 -195.04757 -183.95137 11.09619 3.11414 -183.12210 1138.26933
7875.0000 -197.76392 -184.99914 12.76478 3.09459 -183.49109 1123.53737
7880.0000 -195.96370 -184.60250 11.36120 3.03038 -184.70305 1074.20055
7885.0000 -196.59396 -185.91727 10.67669 2.95357 -186.15270 1051.27160
7890.0000 -195.74683 -183.99811 11.74872 3.01208 -185.04840 1062.19754
7895.0000 -196.55837 -185.36489 11.19348 3.03821 -184.55533 1061.48993
7900.0000 -196.81028 -185.36888 11.44140 2.97398 -185.76752 1032.29783
7905.0000 -198.15741 -186.34123 11.81619 2.99694 -185.33424 1069.53906
7910.0000 -196.60169 -185.00601 11.59568 2.99327 -185.40350 1073.94340
7915.0000 -194.58242 -182.15457 12.42785 3.08450 -183.68157 1095.95820
7920.0000 -196.24425 -186.33309 9.91116 3.04357 -184.45412 1083.84023
7925.0000 -197.43671 -186.66587 10.77084 2.95892 -186.05189 983.97914
7930.0000 -198.27321 -183.90947 14.36374 3.04600 -184.40816 1096.52693
7935.0000 -197.07272 -185.84962 11.22310 3.02111 -184.87796 1100.90962
7940.0000 -195.54190 -185.33400 10.20789 3.01858 -184.92567 1049.22264
7945.0000 -195.10791 -183.77809 11.32981 3.02987 -184.71273 1022.80604
7950.0000 -194.09610 -180.29732 13.79878 3.14261 -182.58474 1119.52564
7955.0000 -191.18917 -179.86744 11.32173 3.26663 -180.24396 1220.37143
7960.0000 -195.65008 -185.13131 10.51877 3.12947 -182.83276 1134.77407
7965.0000 -193.83145 -183.84840 9.98305 3.04815 -184.36754 1089.83908
7970.0000 -197.16633 -182.99045 14.17587 3.03061 -184.69873 1077.45522
7975.0000 -195.88646 -183.75077 12.13569 3.05898 -184.16325 1097.08454
7980.0000 -194.51509 -182.37081 12.14427 3.08359 -183.69871 1113.17510
7985.0000 -194.40927 -182.45841 11.95085 3.12841 -182.85274 1130.94535
7990.0000 -195.30000 -182.90937 12.39063 3.15864 -182.28212 1143.11549
7995.0000 -195.36236 -181.92729 13.43507 3.11099 -183.18161 1116.98353
8000.0000 -195.06677 -183.26182 11.80495 3.14269 -182.58332 1156.60704
MELTING PROCESS: loop number 33 T-loop= 1100.0000000000000
main_MD> interactions number 33 at Temperature= 1100.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.05307 -1.06159 0.34640
force_rgl> df(natom) 1.39509 1.00150 -0.10583
8005.0000 -195.96702 -183.46310 12.50392 3.07793 -183.80562 1129.85756
8010.0000 -196.32338 -184.81646 11.50692 3.09106 -183.55777 1117.25337
8015.0000 -196.91820 -185.94435 10.97385 2.97787 -185.69421 1063.85801
8020.0000 -196.37134 -183.07227 13.29908 2.95849 -186.05993 1006.30239
8025.0000 -193.65752 -181.73890 11.91863 3.15025 -182.44054 1155.65694
8030.0000 -194.08971 -182.58035 11.50936 3.14641 -182.51296 1145.05937
8035.0000 -195.88238 -184.70783 11.17455 3.06254 -184.09598 1128.42766
8040.0000 -196.36088 -184.94361 11.41727 3.03262 -184.66075 1074.67769
8045.0000 -197.09696 -184.87082 12.22614 3.07077 -183.94073 1105.88522
8050.0000 -195.96783 -185.46635 10.50149 3.01842 -184.92876 1063.54024
8055.0000 -196.87337 -186.38800 10.48537 2.98189 -185.61831 1037.45966
8060.0000 -194.27342 -181.50836 12.76506 3.03947 -184.53153 1085.84815
8065.0000 -194.69872 -183.71114 10.98757 3.19416 -181.61185 1154.76484
8070.0000 -195.78896 -182.33249 13.45647 3.07177 -183.92178 1114.47257
8075.0000 -193.39917 -181.11663 12.28254 3.18978 -181.69449 1195.18863
8080.0000 -192.46602 -179.80402 12.66199 3.25824 -180.40230 1245.54887
8085.0000 -195.36147 -182.48450 12.87697 3.18426 -181.79856 1168.29037
8090.0000 -195.92482 -185.59804 10.32678 3.08598 -183.65362 1126.12124
8095.0000 -197.59513 -185.26570 12.32943 2.97820 -185.68788 1063.43230
8100.0000 -197.04736 -185.81118 11.23618 3.05668 -184.20660 1086.04393
8105.0000 -195.97265 -184.41168 11.56097 3.04973 -184.33781 1083.89702
8110.0000 -196.54053 -185.48215 11.05839 3.03949 -184.53115 1082.22301
8115.0000 -195.51016 -183.77767 11.73248 3.05608 -184.21805 1091.94789
8120.0000 -195.24271 -180.91091 14.33181 3.20889 -181.33365 1182.92785
8125.0000 -194.88832 -183.41353 11.47479 3.17736 -181.92881 1166.62036
8130.0000 -195.00023 -185.88653 9.11370 3.02751 -184.75717 1059.22575
8135.0000 -197.18031 -186.49707 10.68324 2.96788 -185.88260 1040.23843
8140.0000 -195.99782 -186.07886 9.91896 2.94409 -186.33167 1044.22053
8145.0000 -197.47653 -187.10586 10.37067 2.90533 -187.06328 1007.07222
8150.0000 -196.32418 -186.30866 10.01552 2.97203 -185.80427 1031.40435
8155.0000 -194.88011 -182.37158 12.50852 2.97860 -185.68027 1040.87382
8160.0000 -193.78920 -183.27833 10.51087 3.07709 -183.82137 1078.67955
8165.0000 -195.17622 -184.41792 10.75830 3.07839 -183.79694 1105.52736
8170.0000 -195.36403 -183.58561 11.77842 3.09324 -183.51656 1119.64091
8175.0000 -194.72075 -183.93474 10.78601 3.10725 -183.25206 1121.81737
8180.0000 -192.16781 -180.65541 11.51240 3.17152 -182.03911 1180.70632
8185.0000 -195.55898 -183.63054 11.92844 3.13050 -182.81340 1121.66515
8190.0000 -196.96577 -185.14745 11.81833 3.08414 -183.68841 1092.07721
8195.0000 -197.11578 -184.96062 12.15516 3.05220 -184.29110 1083.64489
8200.0000 -196.68464 -187.13857 9.54607 2.92845 -186.62698 1009.91324
8205.0000 -196.73175 -186.78576 9.94599 2.92225 -186.74391 981.75983
8210.0000 -196.57964 -187.86372 8.71592 2.86398 -187.84380 981.92992
8215.0000 -197.81571 -185.76360 12.05211 2.89089 -187.33591 994.62734
8220.0000 -195.35630 -184.21754 11.13876 3.01475 -184.99796 1079.68945
8225.0000 -196.29013 -184.70830 11.58183 3.00881 -185.11008 1078.74130
8230.0000 -195.28172 -183.89182 11.38990 3.04335 -184.45824 1114.31730
8235.0000 -195.40171 -184.56700 10.83472 2.99866 -185.30171 1048.00228
8240.0000 -198.66610 -186.49949 12.16661 3.02036 -184.89209 1081.59311
8245.0000 -194.61213 -182.84256 11.76957 3.01206 -185.04878 1065.64218
8250.0000 -192.81919 -182.15222 10.66698 3.10804 -183.23731 1132.45471
MELTING PROCESS: loop number 34 T-loop= 1125.0000000000000
main_MD> interactions number 34 at Temperature= 1125.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.22391 1.57326 2.76290
force_rgl> df(natom) 3.30881 1.17633 -5.89242
8255.0000 -195.16873 -182.73239 12.43634 3.13083 -182.80705 1135.11190
8260.0000 -194.87387 -183.24063 11.63324 3.15670 -182.31882 1170.80511
8265.0000 -196.47496 -183.02670 13.44827 3.11861 -183.03774 1133.15320
8270.0000 -196.63160 -185.39084 11.24077 3.04373 -184.45115 1060.91012
8275.0000 -194.84764 -183.47718 11.37047 3.03139 -184.68390 1064.06043
8280.0000 -196.28438 -184.74166 11.54272 3.01753 -184.94557 1087.37459
8285.0000 -196.27385 -182.75845 13.51540 3.05917 -184.15959 1117.66174
8290.0000 -195.68166 -182.60671 13.07495 3.12625 -182.89356 1150.82545
8295.0000 -195.61390 -184.11774 11.49616 3.11110 -183.17943 1117.70327
8300.0000 -195.11112 -183.71988 11.39124 3.09789 -183.42876 1104.50195
8305.0000 -194.37892 -183.61530 10.76362 3.09553 -183.47328 1106.20066
8310.0000 -194.35546 -179.87684 14.47861 3.19422 -181.61058 1218.26012
8315.0000 -194.49048 -182.26566 12.22483 3.23855 -180.77393 1219.08744
8320.0000 -194.34667 -181.49855 12.84812 3.17310 -182.00936 1147.00081
8325.0000 -193.77942 -182.86108 10.91834 3.17270 -182.01680 1164.81448
8330.0000 -194.29692 -180.54965 13.74727 3.19002 -181.68997 1167.75788
8335.0000 -195.71366 -181.88546 13.82819 3.21395 -181.23817 1168.47036
8340.0000 -192.95488 -178.84799 14.10689 3.27185 -180.14548 1249.34194
8345.0000 -194.22745 -180.53351 13.69394 3.32217 -179.19560 1243.55769
8350.0000 -195.31827 -182.95864 12.35963 3.18008 -181.87750 1179.36110
8355.0000 -195.27137 -183.40141 11.86997 3.11298 -183.14406 1139.12675
8360.0000 -195.26771 -185.06000 10.20771 3.07241 -183.90968 1101.52611
8365.0000 -194.51024 -181.32358 13.18666 3.17752 -181.92577 1154.86161
8370.0000 -194.02103 -180.20329 13.81774 3.28999 -179.80301 1242.73843
8375.0000 -194.18994 -180.91875 13.27118 3.18327 -181.81725 1191.67581
8380.0000 -192.60957 -181.03138 11.57818 3.18723 -181.74254 1163.09377
8385.0000 -193.55015 -182.52534 11.02481 3.14883 -182.46728 1150.37911
8390.0000 -196.30393 -182.56162 13.74231 3.10432 -183.30753 1164.60611
8395.0000 -194.73363 -181.42830 13.30533 3.19729 -181.55278 1199.79580
8400.0000 -194.45570 -181.80486 12.65083 3.21813 -181.15938 1221.37276
8405.0000 -193.11325 -179.68936 13.42389 3.20218 -181.46037 1180.61576
8410.0000 -193.48563 -181.02967 12.45596 3.21490 -181.22032 1174.56375
8415.0000 -194.45019 -182.65806 11.79213 3.09477 -183.48777 1102.95617
8420.0000 -193.92937 -181.98930 11.94007 3.15606 -182.33093 1128.73264
8425.0000 -193.34199 -182.04727 11.29472 3.21421 -181.23334 1155.00826
8430.0000 -195.98441 -181.92185 14.06256 3.16359 -182.18873 1130.07383
8435.0000 -192.65135 -179.94699 12.70436 3.14020 -182.63021 1110.37922
8440.0000 -191.53290 -181.21656 10.31634 3.27087 -180.16395 1209.30581
8445.0000 -194.07457 -180.90594 13.16863 3.22813 -180.97052 1204.48418
8450.0000 -195.54073 -183.89550 11.64523 3.08535 -183.66553 1128.61768
8455.0000 -195.48583 -183.27915 12.20669 3.01984 -184.90195 1088.95187
8460.0000 -194.56659 -181.12994 13.43665 3.25722 -180.42163 1215.25550
8465.0000 -193.19681 -182.37139 10.82542 3.20514 -181.40449 1199.99389
8470.0000 -195.22568 -183.25903 11.96666 3.08800 -183.61555 1106.34452
8475.0000 -196.64200 -186.23025 10.41175 3.01872 -184.92315 1074.24709
8480.0000 -194.01987 -184.07629 9.94358 2.98004 -185.65320 1026.54974
8485.0000 -195.45349 -183.84689 11.60660 3.06676 -184.01636 1114.08915
8490.0000 -195.32539 -184.82521 10.50018 3.13253 -182.77492 1162.34117
8495.0000 -195.45023 -183.70013 11.75009 3.08188 -183.73097 1140.28249
8500.0000 -195.94829 -184.35119 11.59711 3.11404 -183.12401 1184.04773
MELTING PROCESS: loop number 35 T-loop= 1150.0000000000000
main_MD> interactions number 35 at Temperature= 1150.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.90365 -0.50562 4.09984
force_rgl> df(natom) 4.28590 -0.36476 -0.88774
8505.0000 -196.64101 -184.09931 12.54170 3.05339 -184.26877 1119.07688
8510.0000 -196.32758 -184.64200 11.68558 3.03065 -184.69789 1046.41411
8515.0000 -197.56281 -186.41106 11.15176 3.05581 -184.22301 1085.18487
8520.0000 -196.43242 -185.89024 10.54218 2.95721 -186.08413 1008.74992
8525.0000 -195.09319 -183.22076 11.87243 3.00011 -185.27432 1057.51229
8530.0000 -195.06109 -184.02852 11.03257 3.13736 -182.68389 1141.06900
8535.0000 -195.83879 -185.04390 10.79489 3.01603 -184.97381 1081.26388
8540.0000 -195.07822 -181.80502 13.27320 3.05995 -184.14498 1078.23470
8545.0000 -193.97369 -179.79226 14.18143 3.21955 -181.13249 1192.38436
8550.0000 -193.11639 -180.50111 12.61528 3.31209 -179.38582 1237.13419
8555.0000 -193.94876 -181.48834 12.46043 3.21440 -181.22978 1195.42421
8560.0000 -193.12277 -180.84346 12.27931 3.19535 -181.58933 1167.08160
8565.0000 -192.50865 -181.09579 11.41286 3.20325 -181.44028 1171.95514
8570.0000 -196.49184 -185.78624 10.70560 3.05897 -184.16336 1096.11211
8575.0000 -196.31362 -184.70796 11.60566 3.00775 -185.13016 1051.76855
8580.0000 -195.53566 -184.51499 11.02067 3.03954 -184.53016 1071.13849
8585.0000 -194.02736 -182.44298 11.58438 3.15984 -182.25959 1147.27316
8590.0000 -196.49899 -184.49350 12.00549 3.10313 -183.32997 1103.71201
8595.0000 -196.88552 -184.38874 12.49678 3.05098 -184.31431 1081.92157
8600.0000 -194.51350 -183.63238 10.88112 3.04922 -184.34745 1129.04273
8605.0000 -193.63181 -182.39824 11.23357 3.12168 -182.97976 1165.56629
8610.0000 -191.83179 -178.93959 12.89220 3.21259 -181.26384 1188.70594
8615.0000 -194.19728 -180.38732 13.80997 3.27085 -180.16434 1204.27610
8620.0000 -193.82705 -181.51748 12.30957 3.21659 -181.18846 1184.26308
8625.0000 -195.42709 -182.81711 12.60998 3.22034 -181.11756 1204.07654
8630.0000 -194.34340 -181.63489 12.70850 3.16163 -182.22574 1171.88660
8635.0000 -193.56415 -182.21997 11.34418 3.15186 -182.41022 1146.57706
8640.0000 -195.34886 -182.99462 12.35424 3.10626 -183.27086 1135.80598
8645.0000 -196.97790 -185.74974 11.22816 3.04663 -184.39641 1076.64710
8650.0000 -194.97934 -186.31945 8.65989 3.00290 -185.22179 1069.18146
8655.0000 -196.91484 -185.39013 11.52471 2.99580 -185.35574 1050.49945
8660.0000 -194.73254 -181.38208 13.35046 3.06560 -184.03820 1125.23987
8665.0000 -194.42932 -181.60138 12.82794 3.20002 -181.50115 1160.33088
8670.0000 -196.15647 -184.49091 11.66557 3.07211 -183.91532 1107.19145
8675.0000 -194.51911 -183.49097 11.02814 3.09189 -183.54215 1133.59892
8680.0000 -196.51903 -183.96728 12.55175 3.07751 -183.81342 1079.31204
8685.0000 -195.71532 -183.87154 11.84378 3.03165 -184.67907 1079.28340
8690.0000 -194.95730 -183.44161 11.51569 3.07314 -183.89603 1116.32002
8695.0000 -196.68281 -185.42055 11.26226 3.06485 -184.05234 1090.29119
8700.0000 -196.47085 -185.53044 10.94041 2.96553 -185.92712 1048.71569
8705.0000 -194.79573 -182.99175 11.80398 3.10140 -183.36248 1126.51450
8710.0000 -194.61902 -181.99501 12.62400 3.12144 -182.98441 1140.72476
8715.0000 -190.94308 -179.35790 11.58519 3.24373 -180.67610 1208.33824
8720.0000 -194.07032 -182.24754 11.82278 3.20205 -181.46276 1186.25788
8725.0000 -195.00320 -182.86954 12.13367 3.17575 -181.95917 1161.07234
8730.0000 -195.98549 -182.56565 13.41985 3.17027 -182.06259 1213.07033
8735.0000 -195.36323 -184.63430 10.72893 3.11091 -183.18311 1147.39576
8740.0000 -194.67022 -185.06319 9.60703 3.00252 -185.22888 1042.43349
8745.0000 -196.35592 -184.51547 11.84045 3.02894 -184.73030 1062.53857
8750.0000 -194.76980 -182.88889 11.88091 3.10326 -183.32750 1125.58436
MELTING PROCESS: loop number 36 T-loop= 1175.0000000000000
main_MD> interactions number 36 at Temperature= 1175.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.44847 -0.65950 -2.61600
force_rgl> df(natom) 0.76248 7.71218 -3.39275
8755.0000 -194.46929 -183.63555 10.83373 3.11328 -183.13833 1117.99728
8760.0000 -195.25788 -182.97707 12.28081 3.08987 -183.58019 1116.59572
8765.0000 -193.63185 -181.50954 12.12232 3.15877 -182.27974 1144.56063
8770.0000 -193.52835 -183.36009 10.16826 3.14564 -182.52761 1124.80737
8775.0000 -194.86120 -180.89245 13.96875 3.15934 -182.26906 1131.63095
8780.0000 -193.94901 -179.43678 14.51224 3.21825 -181.15701 1214.90979
8785.0000 -194.02517 -181.54203 12.48314 3.32452 -179.15122 1290.22689
8790.0000 -194.74682 -181.45731 13.28950 3.18948 -181.70003 1171.86551
8795.0000 -197.04353 -183.95506 13.08847 3.14269 -182.58332 1153.66036
8800.0000 -195.18959 -181.12947 14.06012 3.11169 -183.16841 1114.93467
8805.0000 -192.94849 -179.39434 13.55415 3.30973 -179.43048 1266.98771
8810.0000 -193.69497 -177.25867 16.43629 3.37109 -178.27226 1327.51957
8815.0000 -193.35451 -179.29474 14.05976 3.39489 -177.82311 1329.17982
8820.0000 -195.68533 -182.32939 13.35594 3.23461 -180.84831 1210.34153
8825.0000 -196.27297 -183.76202 12.51095 3.05279 -184.28004 1100.60955
8830.0000 -197.02639 -183.71042 13.31597 3.03292 -184.65515 1108.50836
8835.0000 -194.86515 -183.19437 11.67078 3.02536 -184.79780 1056.35883
8840.0000 -196.19961 -182.67491 13.52470 3.15600 -182.33198 1142.03960
8845.0000 -194.69582 -180.28294 14.41287 3.18440 -181.79593 1173.51965
8850.0000 -193.46428 -180.06252 13.40175 3.27186 -180.14522 1239.44763
8855.0000 -196.03947 -184.08566 11.95381 3.20528 -181.40193 1199.42903
8860.0000 -194.81206 -181.70608 13.10598 3.10282 -183.33571 1104.88003
8865.0000 -193.81411 -181.00467 12.80943 3.14979 -182.44922 1157.35519
8870.0000 -192.71062 -178.72589 13.98473 3.24953 -180.56673 1211.48519
8875.0000 -195.10699 -181.45099 13.65599 3.28168 -179.95991 1203.22761
8880.0000 -195.41889 -182.74561 12.67328 3.22006 -181.12294 1207.69442
8885.0000 -191.42935 -178.84738 12.58196 3.28579 -179.88236 1222.74421
8890.0000 -192.86820 -179.18719 13.68101 3.34644 -178.73761 1291.70528
8895.0000 -194.15042 -180.83682 13.31360 3.23084 -180.91950 1193.81804
8900.0000 -195.36222 -180.48659 14.87563 3.27079 -180.16544 1240.02105
8905.0000 -192.93344 -181.46924 11.46421 3.24940 -180.56913 1203.49251
8910.0000 -195.63135 -183.47632 12.15504 3.22079 -181.10915 1187.67866
8915.0000 -194.51968 -182.66790 11.85177 3.11763 -183.05616 1124.37225
8920.0000 -193.97334 -184.27450 9.69883 3.12876 -182.84613 1148.36318
8925.0000 -195.82265 -183.31693 12.50572 3.11067 -183.18763 1130.62533
8930.0000 -196.24944 -183.72656 12.52288 3.11477 -183.11022 1116.12986
8935.0000 -194.10636 -182.19408 11.91228 3.10208 -183.34973 1112.72289
8940.0000 -194.37327 -180.65495 13.71832 3.25628 -180.43919 1221.33304
8945.0000 -193.94101 -181.93421 12.00680 3.18704 -181.74612 1181.44727
8950.0000 -193.84589 -178.78900 15.05689 3.21957 -181.13209 1160.17234
8955.0000 -193.26851 -181.10087 12.16765 3.26691 -180.23860 1212.62751
8960.0000 -193.78156 -182.17805 11.60352 3.16279 -182.20386 1167.93541
8965.0000 -193.94196 -181.14870 12.79326 3.14535 -182.53298 1148.96869
8970.0000 -196.01347 -184.80878 11.20470 3.10147 -183.36128 1146.64144
8975.0000 -196.14432 -185.14845 10.99587 3.01649 -184.96523 1074.74956
8980.0000 -196.03028 -182.94931 13.08096 3.09057 -183.56705 1087.62319
8985.0000 -196.88569 -183.64907 13.23663 3.08803 -183.61484 1117.47889
8990.0000 -195.03533 -183.05983 11.97550 3.14890 -182.46605 1172.90341
8995.0000 -195.85531 -183.68998 12.16532 3.10562 -183.28290 1118.30525
9000.0000 -194.02958 -182.58241 11.44717 3.12597 -182.89886 1165.17419
MELTING PROCESS: loop number 37 T-loop= 1200.0000000000000
main_MD> interactions number 37 at Temperature= 1200.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27772 0.11302 2.63483
force_rgl> df(natom) 2.01265 -2.55890 -2.14868
9005.0000 -194.04338 -180.67601 13.36737 3.17335 -182.00454 1165.69911
9010.0000 -193.63743 -182.24749 11.38994 3.12673 -182.88446 1185.11250
9015.0000 -194.79730 -181.31613 13.48117 3.19853 -181.52920 1216.47172
9020.0000 -194.22609 -181.21675 13.00935 3.18917 -181.70597 1207.86164
9025.0000 -192.91958 -179.92093 12.99865 3.22998 -180.93570 1211.16851
9030.0000 -196.62951 -184.07717 12.55234 3.11037 -183.19330 1115.12333
9035.0000 -198.01288 -188.22907 9.78381 2.97022 -185.83859 1064.92513
9040.0000 -193.70854 -180.47128 13.23726 3.00771 -185.13084 1097.19176
9045.0000 -191.61770 -180.71971 10.89799 3.20267 -181.45118 1189.68157
9050.0000 -193.29967 -178.65734 14.64233 3.35458 -178.58394 1303.86436
9055.0000 -196.24871 -182.70937 13.53934 3.26051 -180.35948 1209.04095
9060.0000 -194.04781 -181.35641 12.69140 3.16991 -182.06941 1155.90890
9065.0000 -193.39288 -180.58470 12.80818 3.15156 -182.41586 1173.93659
9070.0000 -194.82199 -180.89917 13.92282 3.17583 -181.95767 1164.45171
9075.0000 -194.96569 -183.77230 11.19339 3.14620 -182.51702 1149.87355
9080.0000 -192.54564 -178.96695 13.57869 3.18134 -181.85365 1181.27236
9085.0000 -195.89678 -183.25679 12.63999 3.20158 -181.47169 1199.00910
9090.0000 -192.04060 -178.63520 13.40540 3.21997 -181.12466 1173.89109
9095.0000 -193.76287 -180.00251 13.76036 3.26224 -180.32688 1216.64447
9100.0000 -194.69952 -180.87175 13.82777 3.31696 -179.29392 1240.57641
9105.0000 -192.95985 -179.65431 13.30555 3.24173 -180.71394 1252.32326
9110.0000 -192.99660 -179.73973 13.25686 3.29577 -179.69386 1270.84525
9115.0000 -192.82387 -179.65019 13.17367 3.24691 -180.61620 1237.24631
9120.0000 -192.50339 -179.88090 12.62249 3.29791 -179.65345 1220.32963
9125.0000 -193.25819 -181.11508 12.14311 3.29335 -179.73954 1193.63259
9130.0000 -194.93199 -183.92079 11.01119 3.19033 -181.68405 1146.62823
9135.0000 -196.29713 -184.05641 12.24072 3.05615 -184.21662 1086.05143
9140.0000 -195.21291 -183.69192 11.52099 3.15900 -182.27536 1174.58983
9145.0000 -195.42144 -185.07946 10.34198 3.02728 -184.76153 1082.35507
9150.0000 -196.02662 -184.07342 11.95321 3.05804 -184.18096 1072.11954
9155.0000 -196.45349 -184.36017 12.09332 3.01925 -184.91303 1084.45384
9160.0000 -195.01526 -182.39055 12.62471 3.15334 -182.38227 1137.98195
9165.0000 -195.61163 -184.95754 10.65409 3.08583 -183.65649 1114.02321
9170.0000 -194.02103 -179.57534 14.44569 3.17254 -182.01974 1150.78320
9175.0000 -194.59083 -182.11084 12.47999 3.27346 -180.11502 1240.61867
9180.0000 -194.55630 -181.19916 13.35713 3.21979 -181.12801 1174.04236
9185.0000 -196.06926 -184.43738 11.63188 3.06359 -184.07624 1098.22617
9190.0000 -193.55172 -181.18673 12.36499 3.17075 -182.05369 1179.34496
9195.0000 -192.38050 -178.63935 13.74114 3.26455 -180.28323 1228.74868
9200.0000 -193.55858 -179.48686 14.07172 3.24494 -180.65331 1215.29827
9205.0000 -193.86740 -179.55902 14.30837 3.29600 -179.68968 1271.54898
9210.0000 -194.47787 -180.74946 13.72840 3.31208 -179.38617 1314.64265
9215.0000 -192.94129 -179.49464 13.44665 3.26958 -180.18819 1174.88626
9220.0000 -194.01890 -180.52889 13.49002 3.24527 -180.64707 1213.71257
9225.0000 -192.43208 -180.38105 12.05104 3.26783 -180.22137 1231.74654
9230.0000 -194.58699 -182.30168 12.28531 3.17692 -181.93714 1162.28520
9235.0000 -192.01860 -178.95530 13.06330 3.28646 -179.86963 1219.82591
9240.0000 -192.99645 -179.33569 13.66075 3.34427 -178.77860 1309.37728
9245.0000 -191.77746 -177.14300 14.63446 3.40635 -177.60680 1305.95240
9250.0000 -192.98622 -178.91617 14.07006 3.38433 -178.02248 1295.94672
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 15 [min], 2.7447782 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink