tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/meltingSims/run_62/melt.log

2034 lines
201 KiB
Plaintext
Raw Blame History

main_MD> Reading input file
read_input> Process type: melting
Read_input> Process caloric with a T-change of 25.000000000000000 [K] and a rate of 9.9999999999999992E+022 [K/ns]
read_input> Input for metadynamics has been read
read_input> Metadynamics has not been chosen.
read_input> Reading initial positions fromtoMelt_62.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 = 62 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1800
main_MD> Size of nv and nvoiz: 62 6200
main_MD> Size of nv and nvoiz: 62 6200
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 = 62
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> 3.6477352250954935E-002 -2.7991440506630324E-002 2.4722844997053895E-002 initial drift of cluster / NP1 for coalescence
init> 0.28192626068686477 0.28963204184844782 0.29061187302164043 scaling for velocity /for coalescence NP1
init.f90 > facguy = 1.8283595824469916E-003
preparo> IN BIGVOI : LIMIT 1.2247448652052084 1.2247448652052084 1.2247448652052084
preparo> END t=0 TIME STEP
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.02108 -1.59741 1.15119
force_rgl> df(natom) -0.20952 0.99388 0.90242
preparo> THERMALIZATION PROCESS AT 289.34045750251607
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -156.24481197871901 2.3441191213749843 -158.58893110009399 3.6371764770863748E-004
preparo> END THERMALISATION ON NPAST DEFINE IN PARACLUSTER MODULE
main_MD> Time-loop is starting for melting
main_MD> Now the computation of EXECUTION TIME starts
main_MD> Running from loop 1 to 36
MELTING PROCESS: loop number 1 T-loop= 315.00000000000000
main_MD> interactions number 1 at Temperature= 315.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.97745 1.20075 2.89085
force_rgl> df(natom) 1.69937 3.02927 1.04519
5.0000 -158.30528 -156.08790 2.21739 1.69540 -156.34168 256.72576
10.0000 -158.34763 -155.59950 2.74813 1.73180 -155.77154 286.88749
15.0000 -158.08986 -155.74931 2.34055 1.74597 -155.54955 302.45505
20.0000 -157.92178 -155.36350 2.55828 1.76040 -155.32357 311.31310
25.0000 -157.53470 -154.99001 2.54469 1.76939 -155.18263 322.24259
30.0000 -157.88634 -154.92383 2.96251 1.77842 -155.04120 328.13953
35.0000 -157.99715 -155.34839 2.64876 1.77266 -155.13141 324.04771
40.0000 -157.44926 -154.98766 2.46159 1.76427 -155.26287 318.63186
45.0000 -157.87309 -155.48909 2.38400 1.76919 -155.18582 325.55834
50.0000 -157.71597 -155.47742 2.23855 1.75608 -155.39111 305.85057
55.0000 -158.45576 -155.82979 2.62597 1.73984 -155.64550 294.79294
60.0000 -157.91587 -155.98778 1.92809 1.74421 -155.57716 301.20794
65.0000 -157.69014 -155.35645 2.33369 1.74792 -155.51896 302.71867
70.0000 -157.56994 -155.17130 2.39864 1.73896 -155.65937 295.50262
75.0000 -157.64659 -155.47637 2.17022 1.75391 -155.42517 306.47015
80.0000 -157.84252 -155.48350 2.35902 1.74779 -155.52106 303.56778
85.0000 -158.19675 -155.98330 2.21345 1.75347 -155.43204 305.69119
90.0000 -158.09579 -155.73952 2.35627 1.72375 -155.89758 283.17860
95.0000 -158.00149 -155.82792 2.17357 1.72675 -155.85068 283.89675
100.0000 -157.72453 -155.18610 2.53843 1.76161 -155.30458 314.29988
105.0000 -157.19659 -154.82055 2.37604 1.78420 -154.95072 341.41520
110.0000 -157.63306 -154.73161 2.90145 1.76853 -155.19609 326.02434
115.0000 -157.48493 -154.66267 2.82225 1.80383 -154.64319 354.43107
120.0000 -157.08863 -155.33154 1.75708 1.78248 -154.97762 336.38740
125.0000 -157.98240 -155.40191 2.58049 1.75268 -155.44440 309.88901
130.0000 -158.15038 -155.55238 2.59800 1.75189 -155.45680 311.50725
135.0000 -157.41382 -155.33713 2.07669 1.76734 -155.21473 320.16199
140.0000 -157.23279 -154.70214 2.53065 1.80736 -154.58791 356.76726
145.0000 -157.71745 -155.50020 2.21725 1.76897 -155.18927 318.67554
150.0000 -158.41363 -155.65037 2.76326 1.74428 -155.57609 299.61900
155.0000 -157.12095 -155.02903 2.09192 1.75792 -155.36228 307.74689
160.0000 -157.98299 -155.41581 2.56718 1.77037 -155.16734 322.28521
165.0000 -157.86815 -155.42463 2.44352 1.76523 -155.24789 322.12974
170.0000 -157.70910 -155.11058 2.59852 1.75352 -155.43133 309.65251
175.0000 -157.80317 -155.10270 2.70047 1.77022 -155.16959 322.08548
180.0000 -157.60268 -155.11038 2.49229 1.76581 -155.23883 324.15193
185.0000 -157.70661 -155.48924 2.21736 1.76593 -155.23691 319.43568
190.0000 -157.75946 -155.24782 2.51163 1.78320 -154.96632 336.37431
195.0000 -157.47674 -155.15705 2.31969 1.77112 -155.15552 325.84172
200.0000 -157.77348 -155.59042 2.18306 1.74216 -155.60918 298.88066
205.0000 -158.20484 -155.60235 2.60250 1.73952 -155.65065 293.40643
210.0000 -157.98653 -155.40951 2.57702 1.73903 -155.65819 296.40975
215.0000 -157.33587 -155.09625 2.23962 1.76992 -155.17439 323.70717
220.0000 -157.75567 -154.85022 2.90545 1.78018 -155.01359 334.94527
225.0000 -158.18136 -155.42179 2.75957 1.78366 -154.95921 341.92403
230.0000 -158.00590 -155.63698 2.36892 1.75002 -155.48606 302.74740
235.0000 -157.76530 -155.33102 2.43428 1.75081 -155.47369 303.02621
240.0000 -158.16789 -155.89606 2.27183 1.75304 -155.43885 307.51759
245.0000 -157.90085 -155.18084 2.72001 1.74719 -155.53045 306.17572
250.0000 -157.43827 -155.19831 2.23996 1.76983 -155.17574 322.94748
MELTING PROCESS: loop number 2 T-loop= 340.00000000000000
main_MD> interactions number 2 at Temperature= 340.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00367 -0.08875 -0.32074
force_rgl> df(natom) -1.85211 -0.33449 -1.92393
255.0000 -157.57626 -154.85790 2.71836 1.79940 -154.71258 346.14517
260.0000 -157.57696 -154.95846 2.61850 1.77731 -155.05867 323.09265
265.0000 -157.08681 -153.96724 3.11957 1.80534 -154.61953 346.97895
270.0000 -157.68966 -154.91575 2.77392 1.80621 -154.60585 350.51211
275.0000 -157.15978 -154.28246 2.87732 1.79686 -154.75234 348.35443
280.0000 -157.00802 -154.01724 2.99077 1.83822 -154.10452 386.96642
285.0000 -157.25078 -154.69705 2.55373 1.80489 -154.62658 349.20655
290.0000 -158.21038 -155.68043 2.52995 1.77550 -155.08700 330.01386
295.0000 -157.38694 -154.67541 2.71154 1.77704 -155.06291 329.80656
300.0000 -157.24242 -154.17325 3.06917 1.81975 -154.39381 369.30126
305.0000 -157.23685 -154.33450 2.90234 1.84027 -154.07229 387.22311
310.0000 -157.59428 -154.83296 2.76132 1.79778 -154.73794 350.72506
315.0000 -157.54640 -154.60812 2.93828 1.80687 -154.59558 354.04215
320.0000 -157.58815 -154.83744 2.75072 1.78912 -154.87356 346.84925
325.0000 -157.16814 -154.41734 2.75080 1.80027 -154.69887 350.11698
330.0000 -157.78712 -155.26051 2.52661 1.80911 -154.56049 355.67934
335.0000 -157.26189 -154.61281 2.64908 1.78095 -155.00163 332.38225
340.0000 -157.34425 -154.47992 2.86433 1.79805 -154.73372 350.89153
345.0000 -157.77331 -154.85676 2.91655 1.80157 -154.67854 344.53764
350.0000 -157.54103 -154.79281 2.74822 1.80090 -154.68909 341.02566
355.0000 -157.72650 -155.16310 2.56339 1.77889 -155.03381 332.68567
360.0000 -157.74865 -155.44390 2.30475 1.76143 -155.30741 311.06745
365.0000 -158.11345 -156.07825 2.03520 1.72838 -155.82504 282.52721
370.0000 -157.84892 -155.58665 2.26227 1.74665 -155.53892 298.61037
375.0000 -158.45182 -156.00208 2.44974 1.72768 -155.83608 285.51132
380.0000 -158.39969 -155.33093 3.06876 1.74792 -155.51907 305.86564
385.0000 -157.58367 -154.86055 2.72312 1.75881 -155.34840 312.35103
390.0000 -157.23285 -154.52350 2.70935 1.80888 -154.56403 356.46396
395.0000 -157.86597 -155.30502 2.56095 1.78513 -154.93612 343.89618
400.0000 -157.99227 -155.05103 2.94124 1.78535 -154.93270 345.82620
405.0000 -157.47926 -155.62540 1.85386 1.77519 -155.09189 342.05771
410.0000 -157.98513 -155.31182 2.67330 1.74727 -155.52923 316.30668
415.0000 -158.22618 -155.87795 2.34823 1.72464 -155.88374 294.40246
420.0000 -158.15677 -155.79838 2.35839 1.72976 -155.80351 301.57938
425.0000 -158.09881 -155.36217 2.73664 1.73215 -155.76602 304.52006
430.0000 -158.09751 -155.35426 2.74325 1.75449 -155.41605 326.33580
435.0000 -157.88046 -155.40782 2.47264 1.75054 -155.47798 320.78412
440.0000 -157.57886 -154.61599 2.96286 1.77104 -155.15679 344.41205
445.0000 -157.77757 -154.54992 3.22765 1.79449 -154.78952 362.22071
450.0000 -157.28572 -155.31120 1.97452 1.79603 -154.76540 364.82095
455.0000 -158.09460 -154.90897 3.18563 1.76839 -155.19826 338.60022
460.0000 -157.56093 -154.79703 2.76390 1.78623 -154.91882 356.01909
465.0000 -157.55455 -154.48307 3.07148 1.79466 -154.78688 360.82140
470.0000 -157.70860 -155.12684 2.58176 1.77520 -155.09161 340.38531
475.0000 -157.21350 -154.59679 2.61671 1.77516 -155.09230 342.29704
480.0000 -157.61579 -154.69430 2.92149 1.79852 -154.72638 364.57268
485.0000 -158.06273 -155.46012 2.60261 1.78510 -154.93665 356.36233
490.0000 -157.60460 -154.96088 2.64372 1.76156 -155.30533 334.47849
495.0000 -157.78236 -155.05963 2.72272 1.78029 -155.01194 351.83279
500.0000 -157.78464 -155.00403 2.78061 1.78459 -154.94454 357.95475
MELTING PROCESS: loop number 3 T-loop= 365.00000000000000
main_MD> interactions number 3 at Temperature= 365.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.62985 0.68041 3.07538
force_rgl> df(natom) -0.77434 -1.20731 0.36415
505.0000 -157.71178 -154.67430 3.03748 1.79784 -154.73693 364.07671
510.0000 -157.95926 -155.09609 2.86317 1.80207 -154.67077 365.74250
515.0000 -158.07443 -155.24126 2.83317 1.79647 -154.75843 362.84410
520.0000 -157.79938 -154.71759 3.08179 1.77927 -155.02796 345.55354
525.0000 -157.63018 -154.39582 3.23436 1.81207 -154.51407 375.64619
530.0000 -157.19219 -154.22023 2.97196 1.82691 -154.28164 394.85136
535.0000 -157.82087 -155.12532 2.69555 1.82224 -154.35482 385.76380
540.0000 -157.93738 -155.23850 2.69888 1.76234 -155.29310 332.71313
545.0000 -157.75055 -154.86862 2.88193 1.78944 -154.86859 355.24917
550.0000 -157.59384 -154.53902 3.05482 1.80328 -154.65173 365.03105
555.0000 -157.56139 -154.23640 3.32500 1.83481 -154.15789 402.65528
560.0000 -157.48058 -155.00994 2.47064 1.80224 -154.66802 368.52896
565.0000 -158.36501 -155.24842 3.11659 1.77226 -155.13775 335.59448
570.0000 -157.05789 -154.31795 2.73994 1.79100 -154.84423 358.94526
575.0000 -157.49215 -154.44086 3.05128 1.81611 -154.45073 385.66952
580.0000 -157.83293 -154.54034 3.29259 1.84073 -154.06515 407.17776
585.0000 -157.18640 -154.41047 2.77593 1.80476 -154.62867 373.15584
590.0000 -157.58581 -154.64403 2.94178 1.79537 -154.77563 364.96442
595.0000 -157.59527 -154.62783 2.96745 1.79626 -154.76179 362.02078
600.0000 -157.56644 -154.66432 2.90213 1.80658 -154.60012 374.13938
605.0000 -157.72291 -155.06678 2.65613 1.78711 -154.90505 354.02572
610.0000 -157.79736 -155.08211 2.71525 1.77912 -155.03028 349.09445
615.0000 -157.55306 -154.63084 2.92222 1.76957 -155.17989 335.42200
620.0000 -157.54565 -154.81468 2.73097 1.79652 -154.75776 366.35468
625.0000 -158.37656 -155.29798 3.07858 1.76967 -155.17825 338.58603
630.0000 -157.92718 -154.76790 3.15928 1.79877 -154.72243 362.86518
635.0000 -157.80823 -154.96843 2.83980 1.79947 -154.71152 366.46955
640.0000 -157.70375 -154.68968 3.01408 1.79652 -154.75769 360.49350
645.0000 -156.96164 -154.08744 2.87420 1.82708 -154.27902 387.72518
650.0000 -157.59065 -154.51266 3.07798 1.81514 -154.46602 376.56527
655.0000 -157.53077 -154.46111 3.06965 1.81664 -154.44254 380.17126
660.0000 -157.69842 -154.84459 2.85383 1.80171 -154.67641 367.30456
665.0000 -157.68960 -154.55545 3.13415 1.80387 -154.64252 370.91448
670.0000 -157.38871 -153.91794 3.47077 1.81692 -154.43809 377.62937
675.0000 -157.79818 -154.74317 3.05501 1.82871 -154.25346 380.43928
680.0000 -157.46311 -154.01481 3.44829 1.81580 -154.45573 371.38835
685.0000 -157.12513 -153.95614 3.16899 1.85825 -153.79073 409.62255
690.0000 -157.79366 -154.34221 3.45145 1.86034 -153.75790 404.83959
695.0000 -157.69110 -154.50498 3.18612 1.80593 -154.61025 360.81614
700.0000 -157.93680 -154.43952 3.49728 1.81746 -154.42965 367.77854
705.0000 -157.34818 -154.31627 3.03192 1.84268 -154.03457 394.45036
710.0000 -157.52396 -154.91947 2.60449 1.81372 -154.48818 368.87237
715.0000 -157.88557 -154.79095 3.09462 1.80957 -154.55321 363.72384
720.0000 -157.52849 -154.32888 3.19961 1.82130 -154.36950 370.27563
725.0000 -157.70343 -155.12005 2.58338 1.77437 -155.10462 334.45168
730.0000 -156.99013 -154.41533 2.57480 1.78608 -154.92119 346.14964
735.0000 -157.38791 -154.29698 3.09093 1.81294 -154.50047 357.04936
740.0000 -157.58621 -154.49519 3.09103 1.82868 -154.25382 383.80277
745.0000 -157.61636 -154.50154 3.11482 1.80176 -154.67554 357.68978
750.0000 -157.55526 -155.10615 2.44911 1.81074 -154.53493 362.36395
MELTING PROCESS: loop number 4 T-loop= 390.00000000000000
main_MD> interactions number 4 at Temperature= 390.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.07197 -0.42028 -0.52265
force_rgl> df(natom) -0.53951 -0.26380 3.20490
755.0000 -157.32941 -154.30450 3.02491 1.80295 -154.65698 357.84291
760.0000 -157.47193 -154.39081 3.08113 1.83079 -154.22092 377.46217
765.0000 -156.79614 -153.72881 3.06733 1.82937 -154.24303 381.09974
770.0000 -157.66474 -154.75564 2.90909 1.82467 -154.31677 382.67978
775.0000 -157.07551 -154.56567 2.50983 1.80534 -154.61949 367.96293
780.0000 -157.58448 -154.28414 3.30035 1.82068 -154.37929 381.26480
785.0000 -157.33422 -154.09124 3.24298 1.81541 -154.46174 380.99895
790.0000 -156.81190 -153.40050 3.41139 1.84607 -153.98153 407.22530
795.0000 -157.46306 -153.32314 4.13992 1.88503 -153.37125 445.24118
800.0000 -157.26255 -154.11239 3.15016 1.87908 -153.46432 436.90924
805.0000 -157.60209 -154.26886 3.33323 1.83416 -154.16809 393.21195
810.0000 -157.08035 -153.60597 3.47439 1.83664 -154.12915 383.00708
815.0000 -157.08402 -153.38107 3.70295 1.87849 -153.47368 431.66411
820.0000 -156.88826 -153.34477 3.54348 1.87810 -153.47972 426.20210
825.0000 -156.60716 -153.55394 3.05321 1.86605 -153.66853 418.23776
830.0000 -156.86883 -154.20403 2.66480 1.85795 -153.79545 414.38983
835.0000 -157.40843 -153.81240 3.59603 1.81643 -154.44581 373.18694
840.0000 -156.94160 -153.71829 3.22331 1.87222 -153.57185 418.90228
845.0000 -157.85974 -154.64911 3.21064 1.84045 -154.06954 392.22158
850.0000 -156.75074 -153.74701 3.00373 1.83438 -154.16461 386.01379
855.0000 -157.50897 -154.21838 3.29058 1.86724 -153.64987 415.04936
860.0000 -156.94687 -153.76372 3.18316 1.82907 -154.24783 382.12584
865.0000 -157.57991 -154.28746 3.29245 1.83305 -154.18546 378.62465
870.0000 -157.32651 -154.38696 2.93955 1.82537 -154.30573 383.87721
875.0000 -156.94197 -153.74690 3.19506 1.84327 -154.02541 397.19842
880.0000 -157.07948 -153.55251 3.52698 1.85863 -153.78481 405.51520
885.0000 -156.46859 -153.50130 2.96728 1.87163 -153.58111 414.36697
890.0000 -156.92911 -153.43247 3.49663 1.86145 -153.74055 390.68501
895.0000 -156.84342 -153.77164 3.07178 1.86496 -153.68557 396.19798
900.0000 -156.74567 -152.96376 3.78191 1.89081 -153.28071 434.91345
905.0000 -157.22129 -154.11218 3.10911 1.89644 -153.19251 441.11882
910.0000 -157.22057 -153.95640 3.26418 1.83438 -154.16457 388.93500
915.0000 -157.63654 -154.47621 3.16034 1.83813 -154.10579 391.63728
920.0000 -157.79791 -154.38176 3.41615 1.82338 -154.33694 381.58863
925.0000 -157.32875 -153.58806 3.74069 1.83431 -154.16566 392.20330
930.0000 -156.83568 -153.06926 3.76641 1.89784 -153.17057 433.46487
935.0000 -157.73391 -154.46868 3.26523 1.84740 -153.96072 398.81888
940.0000 -157.35029 -154.40719 2.94310 1.82602 -154.29552 380.23491
945.0000 -157.46671 -154.71916 2.74755 1.81675 -154.44078 375.83797
950.0000 -157.82574 -154.84762 2.97812 1.78073 -155.00507 340.32532
955.0000 -157.63987 -154.13586 3.50401 1.80312 -154.65428 366.00620
960.0000 -157.00514 -154.36397 2.64117 1.82898 -154.24924 380.67952
965.0000 -157.31726 -154.04930 3.26796 1.83650 -154.13145 390.98053
970.0000 -157.40574 -154.43178 2.97396 1.82394 -154.32821 379.25425
975.0000 -157.41627 -154.27739 3.13889 1.79907 -154.71776 357.02413
980.0000 -157.73157 -154.35032 3.38124 1.83699 -154.12373 388.53046
985.0000 -157.36634 -154.12075 3.24559 1.85522 -153.83821 401.42087
990.0000 -156.99140 -153.82471 3.16669 1.83706 -154.12267 388.76205
995.0000 -157.69609 -154.55774 3.13835 1.83451 -154.16262 389.01708
1000.0000 -157.65495 -155.03662 2.61833 1.80111 -154.68570 358.80251
MELTING PROCESS: loop number 5 T-loop= 415.00000000000000
main_MD> interactions number 5 at Temperature= 415.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.17042 0.08806 0.27718
force_rgl> df(natom) 0.18649 -0.09357 1.23357
1005.0000 -156.58031 -152.98977 3.59054 1.83947 -154.08492 392.58464
1010.0000 -157.10794 -153.31285 3.79508 1.89340 -153.24014 434.25834
1015.0000 -156.39650 -152.68440 3.71210 1.90011 -153.13490 440.60091
1020.0000 -156.07792 -152.17139 3.90653 1.95003 -152.35296 481.84434
1025.0000 -156.42692 -152.13539 4.29153 1.92254 -152.78356 457.83799
1030.0000 -156.46125 -153.46324 2.99801 1.93053 -152.65848 473.50319
1035.0000 -156.80372 -152.64016 4.16356 1.89447 -153.22336 429.07455
1040.0000 -156.05785 -153.26376 2.79409 1.91696 -152.87106 456.88747
1045.0000 -157.56280 -154.47292 3.08988 1.84116 -154.05842 391.22854
1050.0000 -157.61831 -154.38021 3.23809 1.83147 -154.21019 385.01672
1055.0000 -156.39633 -153.25224 3.14408 1.88276 -153.40667 431.52430
1060.0000 -157.14779 -153.43462 3.71317 1.89049 -153.28562 437.13626
1065.0000 -157.52362 -153.76085 3.76277 1.87273 -153.56382 420.14566
1070.0000 -156.72784 -153.56967 3.15816 1.87788 -153.48326 423.00526
1075.0000 -156.25558 -152.92762 3.32797 1.87439 -153.53782 407.73899
1080.0000 -156.45388 -152.92416 3.52972 1.91214 -152.94654 437.46057
1085.0000 -156.65598 -153.40411 3.25187 1.92197 -152.79250 462.41887
1090.0000 -157.16674 -153.23256 3.93418 1.87897 -153.46605 432.48034
1095.0000 -157.01539 -153.57519 3.44020 1.88230 -153.41399 430.27134
1100.0000 -156.97816 -153.53032 3.44784 1.85310 -153.87133 404.95359
1105.0000 -157.10462 -153.66468 3.43995 1.87366 -153.54935 405.91908
1110.0000 -157.26878 -154.30510 2.96369 1.85073 -153.90853 378.09741
1115.0000 -157.23932 -154.30156 2.93776 1.83449 -154.16294 368.76843
1120.0000 -156.56402 -153.82066 2.74336 1.82972 -154.23766 376.55195
1125.0000 -156.42394 -153.73345 2.69048 1.86690 -153.65520 413.22922
1130.0000 -157.29435 -153.42211 3.87224 1.87958 -153.45653 431.62256
1135.0000 -157.01314 -154.18093 2.83221 1.86203 -153.73143 413.12504
1140.0000 -156.52590 -152.77488 3.75102 1.89266 -153.25166 441.97331
1145.0000 -157.01230 -152.85236 4.15994 1.90660 -153.03333 453.98141
1150.0000 -157.30267 -153.57780 3.72488 1.91617 -152.88333 462.18946
1155.0000 -157.00229 -153.87563 3.12667 1.86629 -153.66477 420.37204
1160.0000 -157.12175 -153.76684 3.35492 1.83670 -154.12828 393.76955
1165.0000 -157.22187 -154.35684 2.86503 1.85036 -153.91423 404.97135
1170.0000 -157.34326 -154.38944 2.95382 1.80700 -154.59354 362.20606
1175.0000 -157.21840 -153.92611 3.29229 1.85013 -153.91786 402.80003
1180.0000 -157.08117 -153.35652 3.72465 1.86622 -153.66584 410.85204
1185.0000 -157.28162 -153.15099 4.13063 1.87814 -153.47919 415.40943
1190.0000 -155.80759 -152.48476 3.32282 1.88805 -153.32384 431.31511
1195.0000 -156.95140 -153.81125 3.14015 1.91815 -152.85230 456.81387
1200.0000 -156.37950 -152.46886 3.91064 1.90381 -153.07704 446.49752
1205.0000 -156.70579 -153.18543 3.52036 1.90344 -153.08274 433.67123
1210.0000 -156.84376 -153.67575 3.16801 1.88729 -153.33578 417.64267
1215.0000 -157.16851 -153.58993 3.57858 1.89055 -153.28474 423.58522
1220.0000 -156.75398 -153.85445 2.89953 1.87989 -153.45177 405.31731
1225.0000 -156.96473 -153.85490 3.10983 1.83855 -154.09936 364.51030
1230.0000 -156.75648 -153.39514 3.36134 1.86918 -153.61941 394.36216
1235.0000 -156.93353 -153.75016 3.18337 1.85269 -153.87774 388.58989
1240.0000 -156.26672 -153.48237 2.78434 1.89528 -153.21066 419.72598
1245.0000 -156.50712 -153.37593 3.13119 1.87677 -153.50056 401.80528
1250.0000 -157.23928 -154.54492 2.69435 1.85259 -153.87931 386.91300
MELTING PROCESS: loop number 6 T-loop= 440.00000000000000
main_MD> interactions number 6 at Temperature= 440.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -6.87183 -3.36873 4.02787
force_rgl> df(natom) -1.42519 0.35094 -2.64948
1255.0000 -157.30097 -154.79021 2.51076 1.79971 -154.70771 350.17979
1260.0000 -157.52224 -154.24406 3.27818 1.82626 -154.29188 379.87721
1265.0000 -156.09243 -153.05965 3.03277 1.85511 -153.83982 403.89477
1270.0000 -156.37255 -153.28331 3.08925 1.90437 -153.06828 451.41457
1275.0000 -156.81286 -153.16735 3.64551 1.91781 -152.85766 455.48033
1280.0000 -156.26719 -152.68792 3.57927 1.90567 -153.04793 448.60264
1285.0000 -156.93549 -152.56214 4.37335 1.94056 -152.50133 479.90535
1290.0000 -156.58947 -153.19347 3.39600 1.89398 -153.23091 445.00039
1295.0000 -156.66022 -153.87423 2.78599 1.85762 -153.80056 392.01045
1300.0000 -156.95613 -152.75891 4.19722 1.88681 -153.34332 414.38506
1305.0000 -156.31286 -152.60149 3.71137 1.91129 -152.95986 452.29836
1310.0000 -157.25206 -154.51283 2.73923 1.85277 -153.87653 407.22643
1315.0000 -156.95619 -153.93810 3.01809 1.85589 -153.82771 408.66116
1320.0000 -157.18882 -153.63783 3.55098 1.85494 -153.84254 409.87752
1325.0000 -157.11878 -154.06514 3.05364 1.84523 -153.99462 399.76817
1330.0000 -156.96343 -153.92472 3.03870 1.85105 -153.90351 400.39578
1335.0000 -156.51435 -153.26897 3.24538 1.89004 -153.29271 433.12808
1340.0000 -156.29506 -152.47205 3.82302 1.91176 -152.95252 451.97217
1345.0000 -156.73618 -153.79677 2.93941 1.89804 -153.16735 440.83603
1350.0000 -157.76093 -154.87440 2.88653 1.82244 -154.35159 379.18425
1355.0000 -157.15607 -154.10379 3.05228 1.81487 -154.47028 372.73522
1360.0000 -157.03198 -153.55717 3.47481 1.86673 -153.65784 416.77792
1365.0000 -156.86421 -152.79684 4.06737 1.88949 -153.30139 441.16572
1370.0000 -156.50138 -153.05406 3.44733 1.90579 -153.04598 451.70865
1375.0000 -156.03901 -152.14684 3.89217 1.93470 -152.59309 474.62295
1380.0000 -156.51883 -153.41463 3.10420 1.91233 -152.94353 447.38021
1385.0000 -156.27380 -152.57637 3.69742 1.92850 -152.69016 477.42169
1390.0000 -156.28433 -152.58036 3.70397 1.94311 -152.46134 478.67463
1395.0000 -156.85295 -153.27401 3.57893 1.91540 -152.89541 464.23238
1400.0000 -157.04014 -153.98144 3.05870 1.86143 -153.74091 402.04105
1405.0000 -157.00704 -153.62144 3.38560 1.88560 -153.36219 436.07323
1410.0000 -156.56273 -152.72998 3.83275 1.87728 -153.49252 429.96366
1415.0000 -157.24144 -153.14467 4.09678 1.91488 -152.90359 468.02317
1420.0000 -156.40107 -153.08474 3.31633 1.89895 -153.15318 441.72343
1425.0000 -156.17765 -152.78780 3.38984 1.91806 -152.85375 460.92203
1430.0000 -156.16479 -152.40874 3.75605 1.95172 -152.32648 486.98639
1435.0000 -155.78029 -152.35677 3.42352 1.95089 -152.33952 461.29757
1440.0000 -156.08336 -152.93006 3.15330 1.92706 -152.71271 451.40953
1445.0000 -156.20488 -152.27189 3.93299 1.93518 -152.58566 450.04083
1450.0000 -156.43985 -152.69368 3.74618 1.92793 -152.69919 448.05707
1455.0000 -156.60471 -153.42372 3.18099 1.90690 -153.02867 436.87144
1460.0000 -156.57527 -153.13925 3.43602 1.91398 -152.91775 458.05508
1465.0000 -156.42365 -152.56553 3.85812 1.90524 -153.05453 453.05961
1470.0000 -156.88915 -153.53129 3.35786 1.88198 -153.41897 427.21048
1475.0000 -156.99285 -153.89813 3.09472 1.86780 -153.64116 419.97296
1480.0000 -156.54716 -153.17657 3.37059 1.88044 -153.44305 428.79244
1485.0000 -157.06837 -153.46379 3.60457 1.89617 -153.19675 429.12483
1490.0000 -157.09223 -152.84304 4.24918 1.86493 -153.68606 412.86135
1495.0000 -156.50334 -153.06015 3.44319 1.93876 -152.52943 473.91556
1500.0000 -156.61615 -153.09487 3.52128 1.89871 -153.15695 429.06670
MELTING PROCESS: loop number 7 T-loop= 465.00000000000000
main_MD> interactions number 7 at Temperature= 465.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.58572 1.88788 -0.27347
force_rgl> df(natom) -3.62266 0.56995 1.83724
1505.0000 -156.83815 -152.82174 4.01641 1.92017 -152.82076 459.79839
1510.0000 -155.57892 -151.98695 3.59197 1.94031 -152.50530 452.47835
1515.0000 -154.34456 -150.74670 3.59786 2.01698 -151.30413 469.62091
1520.0000 -155.62130 -152.34733 3.27397 2.02100 -151.24126 472.36076
1525.0000 -155.99927 -152.36353 3.63574 1.95520 -152.27191 426.88042
1530.0000 -156.08012 -151.65535 4.42477 1.95885 -152.21480 446.18847
1535.0000 -155.98798 -152.80436 3.18363 1.93022 -152.66324 418.55738
1540.0000 -155.66480 -151.93733 3.72747 1.95852 -152.21996 444.11648
1545.0000 -156.59156 -152.63009 3.96147 1.94020 -152.50701 443.62498
1550.0000 -156.48555 -153.32928 3.15627 1.89580 -153.20253 403.36084
1555.0000 -156.41767 -153.49551 2.92216 1.89489 -153.21670 408.33346
1560.0000 -156.71844 -153.32311 3.39533 1.89875 -153.15625 410.02182
1565.0000 -156.43555 -153.23202 3.20353 1.92849 -152.69038 435.66311
1570.0000 -157.03248 -154.02605 3.00643 1.88875 -153.31285 412.21868
1575.0000 -155.65070 -151.61841 4.03229 1.92520 -152.74195 450.07858
1580.0000 -155.46564 -151.55789 3.90775 1.98476 -151.80895 483.51060
1585.0000 -156.25836 -152.39152 3.86684 1.96896 -152.05647 479.06084
1590.0000 -156.50094 -152.73893 3.76201 1.92995 -152.66747 470.89547
1595.0000 -157.41609 -153.25935 4.15675 1.89558 -153.20592 444.03954
1600.0000 -157.02165 -153.59463 3.42703 1.88150 -153.42655 430.87127
1605.0000 -156.09100 -152.26000 3.83100 1.93613 -152.57074 477.59791
1610.0000 -156.26871 -152.85208 3.41663 1.93410 -152.60246 473.62256
1615.0000 -156.99511 -153.13914 3.85596 1.87702 -153.49671 425.26040
1620.0000 -157.05433 -153.16409 3.89024 1.92110 -152.80609 460.97536
1625.0000 -156.25656 -152.40290 3.85366 1.94638 -152.41017 485.45316
1630.0000 -156.88583 -153.79510 3.09073 1.92897 -152.68291 467.73798
1635.0000 -157.20818 -152.96813 4.24005 1.88451 -153.37928 430.16506
1640.0000 -155.85250 -151.48509 4.36741 1.95906 -152.21143 491.69495
1645.0000 -155.80568 -152.01399 3.79169 1.98581 -151.79242 495.99411
1650.0000 -156.38490 -153.15496 3.22993 1.94100 -152.49443 477.45343
1655.0000 -156.95205 -153.66532 3.28673 1.88156 -153.42547 422.81485
1660.0000 -156.47581 -153.03801 3.43780 1.86939 -153.61625 417.64682
1665.0000 -157.16069 -153.39734 3.76334 1.87684 -153.49940 422.91203
1670.0000 -156.39347 -152.65520 3.73827 1.89701 -153.18352 443.92862
1675.0000 -156.80403 -152.88323 3.92080 1.91593 -152.88714 458.75661
1680.0000 -156.58976 -153.06937 3.52038 1.91166 -152.95399 456.25870
1685.0000 -156.15428 -152.42977 3.72451 1.93713 -152.55503 450.60352
1690.0000 -155.43584 -151.49271 3.94313 1.97018 -152.03734 475.87259
1695.0000 -157.56004 -153.13519 4.42485 1.95559 -152.26593 489.75960
1700.0000 -156.80560 -153.41372 3.39188 1.89475 -153.21896 438.29564
1705.0000 -156.07951 -152.36211 3.71740 1.89609 -153.19797 435.22591
1710.0000 -156.67736 -153.43989 3.23747 1.91141 -152.95793 457.49140
1715.0000 -156.99333 -152.58899 4.40434 1.90421 -153.07078 446.82798
1720.0000 -156.91508 -153.34366 3.57142 1.92498 -152.74538 467.11543
1725.0000 -157.07556 -153.49903 3.57654 1.86889 -153.62409 418.64437
1730.0000 -156.23955 -152.18407 4.05548 1.93968 -152.51505 448.07602
1735.0000 -156.56448 -153.13721 3.42727 1.91872 -152.84345 433.90668
1740.0000 -156.81931 -152.87967 3.93965 1.90254 -153.09688 420.49150
1745.0000 -156.91856 -152.70207 4.21649 1.93210 -152.63383 448.35850
1750.0000 -155.77363 -151.55184 4.22180 1.96932 -152.05078 484.67145
MELTING PROCESS: loop number 8 T-loop= 490.00000000000000
main_MD> interactions number 8 at Temperature= 490.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.55911 -0.30287 -0.28571
force_rgl> df(natom) -0.76609 1.15928 0.11100
1755.0000 -155.81931 -150.93846 4.88086 2.00179 -151.54210 503.85096
1760.0000 -156.47626 -153.26621 3.21005 1.96911 -152.05407 464.14775
1765.0000 -155.99506 -151.70939 4.28568 1.93359 -152.61046 463.25305
1770.0000 -156.34583 -152.24347 4.10236 1.96606 -152.10187 507.86594
1775.0000 -155.80557 -151.90482 3.90075 1.97589 -151.94794 504.26938
1780.0000 -156.17184 -152.11452 4.05732 1.97591 -151.94749 508.49465
1785.0000 -155.94644 -152.48438 3.46205 1.95300 -152.30642 489.29640
1790.0000 -155.93073 -152.15185 3.77888 1.92659 -152.72012 475.62909
1795.0000 -156.15981 -151.92201 4.23780 1.98467 -151.81032 520.54728
1800.0000 -156.70120 -152.50862 4.19258 1.95813 -152.22611 498.77161
1805.0000 -156.77147 -152.47455 4.29693 1.91845 -152.84761 470.06677
1810.0000 -156.07933 -152.20402 3.87531 1.95801 -152.22800 499.96658
1815.0000 -155.66162 -152.01816 3.64347 1.95175 -152.32595 477.95230
1820.0000 -155.90459 -152.67777 3.22682 1.92736 -152.70806 453.15403
1825.0000 -156.77966 -152.94471 3.83495 1.90721 -153.02367 448.74961
1830.0000 -155.41853 -151.74577 3.67276 1.95293 -152.30751 475.25642
1835.0000 -155.58064 -151.91881 3.66184 1.99092 -151.71246 507.91960
1840.0000 -155.75106 -151.94884 3.80221 1.95853 -152.21976 493.34297
1845.0000 -155.70675 -151.15414 4.55261 1.97797 -151.91529 507.82356
1850.0000 -155.11694 -151.35757 3.75937 1.99504 -151.64791 531.65966
1855.0000 -155.67780 -151.75853 3.91927 1.97945 -151.89213 482.52319
1860.0000 -155.77678 -151.38999 4.38678 1.99550 -151.64074 501.54166
1865.0000 -155.94933 -151.35571 4.59363 2.00474 -151.49601 507.09475
1870.0000 -156.09905 -150.83848 5.26057 2.02219 -151.22266 531.93927
1875.0000 -155.18495 -151.31975 3.86520 2.00484 -151.49439 500.14875
1880.0000 -154.99587 -151.38999 3.60588 2.01170 -151.38688 489.69439
1885.0000 -155.92668 -151.41934 4.50734 2.02179 -151.22879 504.55561
1890.0000 -155.31528 -150.95298 4.36230 2.02460 -151.18483 530.71409
1895.0000 -155.99247 -152.51421 3.47826 2.00595 -151.47698 509.43993
1900.0000 -156.05231 -152.39392 3.65839 1.94290 -152.46468 457.98917
1905.0000 -155.27042 -151.95449 3.31593 1.97767 -151.92004 488.13867
1910.0000 -155.55997 -151.58310 3.97687 1.97687 -151.93247 488.89278
1915.0000 -155.47684 -151.43496 4.04188 2.00149 -151.54688 502.71490
1920.0000 -155.47330 -151.26833 4.20498 2.02604 -151.16234 510.84678
1925.0000 -155.33753 -151.69627 3.64126 1.98062 -151.87373 458.55578
1930.0000 -155.07642 -150.41744 4.65898 2.03278 -151.05674 503.97334
1935.0000 -155.35671 -151.70445 3.65226 2.02017 -151.25420 521.79958
1940.0000 -155.66881 -151.88995 3.77886 1.98694 -151.77470 508.04800
1945.0000 -155.41770 -151.63983 3.77787 2.01024 -151.40982 519.12518
1950.0000 -155.19225 -151.47805 3.71420 2.01065 -151.40336 519.67727
1955.0000 -155.92694 -152.22135 3.70559 1.96701 -152.08698 477.19784
1960.0000 -155.66231 -152.11274 3.54957 1.94902 -152.36871 471.61608
1965.0000 -156.70243 -153.80871 2.89372 1.91034 -152.97464 440.35805
1970.0000 -156.13493 -152.37612 3.75882 1.93009 -152.66532 452.28169
1975.0000 -156.35089 -152.83576 3.51513 1.91624 -152.88227 446.66378
1980.0000 -155.48847 -151.95496 3.53351 1.92150 -152.79985 448.36592
1985.0000 -155.63685 -151.32081 4.31604 2.00197 -151.53926 501.31020
1990.0000 -155.66763 -150.63988 5.02775 2.04831 -150.81338 559.43695
1995.0000 -155.59796 -152.02861 3.56936 1.99568 -151.63789 508.07368
2000.0000 -155.92966 -151.98618 3.94348 1.97008 -152.03883 488.62325
MELTING PROCESS: loop number 9 T-loop= 515.00000000000000
main_MD> interactions number 9 at Temperature= 515.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.12379 0.59227 -2.91462
force_rgl> df(natom) -3.18234 1.29065 -1.86279
2005.0000 -156.03285 -152.47236 3.56049 1.95736 -152.23818 467.83418
2010.0000 -155.00255 -151.05835 3.94420 2.01671 -151.30848 516.58938
2015.0000 -154.73052 -150.56899 4.16153 2.06619 -150.53333 546.47735
2020.0000 -155.12115 -150.81358 4.30756 2.06549 -150.54424 532.55664
2025.0000 -153.81246 -150.05123 3.76123 2.08728 -150.20292 551.33138
2030.0000 -154.48239 -150.54109 3.94129 2.10773 -149.88264 548.23361
2035.0000 -154.72469 -150.62230 4.10238 2.06769 -150.50978 517.37425
2040.0000 -154.75279 -150.78203 3.97077 2.05339 -150.73382 504.46816
2045.0000 -154.24955 -150.79867 3.45088 2.05166 -150.76093 486.71207
2050.0000 -154.23666 -150.22972 4.00693 2.04603 -150.84920 489.24256
2055.0000 -154.64957 -150.93154 3.71803 2.06868 -150.49428 490.30477
2060.0000 -155.50151 -151.22232 4.27919 2.03814 -150.97272 464.22928
2065.0000 -154.04151 -149.97453 4.06698 2.04698 -150.83422 516.43161
2070.0000 -154.80271 -150.48168 4.32103 2.05206 -150.75469 512.77451
2075.0000 -154.08320 -149.77850 4.30470 2.07782 -150.35117 526.74138
2080.0000 -155.34574 -151.20183 4.14391 2.08439 -150.24829 542.05268
2085.0000 -154.68579 -150.73015 3.95565 2.02723 -151.14360 504.96112
2090.0000 -153.75894 -149.79110 3.96784 2.10406 -149.94007 543.38682
2095.0000 -154.65050 -150.61726 4.03324 2.08481 -150.24157 532.92802
2100.0000 -153.16253 -149.57269 3.58984 2.09807 -150.03393 548.16680
2105.0000 -153.94512 -149.93636 4.00876 2.08483 -150.24133 536.15977
2110.0000 -155.22133 -151.29845 3.92289 2.05762 -150.66752 498.25184
2115.0000 -155.32806 -150.86387 4.46419 2.00048 -151.56263 475.04532
2120.0000 -154.06409 -150.32535 3.73874 2.04138 -150.92198 532.10900
2125.0000 -154.81806 -149.47007 5.34799 2.12044 -149.68356 614.50183
2130.0000 -153.32126 -148.94147 4.37979 2.16613 -148.96783 618.39337
2135.0000 -155.00086 -150.87796 4.12290 2.11072 -149.83576 582.72878
2140.0000 -155.18585 -150.89506 4.29079 2.02010 -151.25526 517.83083
2145.0000 -156.14824 -151.71815 4.43008 2.02162 -151.23152 517.68764
2150.0000 -155.66993 -151.99702 3.67291 1.97403 -151.97704 486.73153
2155.0000 -155.43526 -151.75670 3.67856 2.02585 -151.16530 525.68211
2160.0000 -155.18880 -150.61043 4.57837 2.04484 -150.86782 542.77035
2165.0000 -154.58189 -150.73708 3.84481 2.05156 -150.76257 536.36821
2170.0000 -155.29832 -151.29465 4.00367 2.03926 -150.95521 524.07549
2175.0000 -156.37082 -151.46970 4.90112 2.02625 -151.15905 529.08109
2180.0000 -156.10225 -152.03893 4.06332 1.98255 -151.84351 502.99390
2185.0000 -154.53343 -151.19200 3.34143 2.00515 -151.48957 489.83875
2190.0000 -154.75800 -150.70124 4.05676 2.02221 -151.22229 487.76948
2195.0000 -155.13304 -150.63956 4.49348 2.09025 -150.15649 529.37401
2200.0000 -155.33439 -151.04320 4.29120 2.06813 -150.50299 540.24155
2205.0000 -154.63914 -150.62646 4.01269 2.06579 -150.53959 523.92962
2210.0000 -154.70711 -150.92656 3.78055 2.06117 -150.61201 517.99580
2215.0000 -154.46628 -150.40638 4.05990 2.05080 -150.77436 484.41676
2220.0000 -154.65537 -150.45930 4.19606 2.05678 -150.68074 484.54029
2225.0000 -155.12599 -151.00463 4.12136 2.06958 -150.48017 506.05289
2230.0000 -155.35960 -150.85556 4.50404 2.04128 -150.92348 486.07134
2235.0000 -154.63051 -150.84455 3.78597 2.07137 -150.45216 529.80496
2240.0000 -155.02908 -151.11046 3.91862 2.04096 -150.92853 509.80587
2245.0000 -154.84213 -150.51903 4.32309 2.00773 -151.44910 486.86251
2250.0000 -154.74773 -151.01549 3.73225 2.04599 -150.84979 536.25414
MELTING PROCESS: loop number 10 T-loop= 540.00000000000000
main_MD> interactions number 10 at Temperature= 540.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.43085 -0.69693 0.70653
force_rgl> df(natom) 1.19636 0.42593 0.60856
2255.0000 -154.87302 -150.46712 4.40590 2.06306 -150.58239 533.15526
2260.0000 -154.45680 -150.15372 4.30308 2.09680 -150.05388 576.17397
2265.0000 -154.84738 -150.57226 4.27512 2.09076 -150.14839 550.01089
2270.0000 -155.15086 -151.60730 3.54356 2.04383 -150.88353 519.06914
2275.0000 -154.07429 -150.24824 3.82605 2.00715 -151.45814 488.08607
2280.0000 -154.17454 -149.95100 4.22354 2.08202 -150.28539 531.32085
2285.0000 -154.16467 -150.78797 3.37671 2.07171 -150.44685 503.03121
2290.0000 -154.43233 -150.07751 4.35482 2.08362 -150.26031 509.16587
2295.0000 -154.65157 -150.40144 4.25013 2.07666 -150.36936 508.39902
2300.0000 -153.43676 -148.41969 5.01706 2.14934 -149.23084 576.82830
2305.0000 -154.64343 -150.39873 4.24470 2.10510 -149.92388 553.06473
2310.0000 -155.06798 -150.65996 4.40802 2.07028 -150.46921 543.39326
2315.0000 -154.65969 -149.75547 4.90421 2.11074 -149.83548 559.53664
2320.0000 -155.36112 -150.72401 4.63711 2.12873 -149.55369 621.60154
2325.0000 -155.25006 -150.88673 4.36334 2.02658 -151.15379 532.75062
2330.0000 -156.12071 -151.73408 4.38663 2.00393 -151.50867 515.02063
2335.0000 -156.04558 -151.43791 4.60767 1.97727 -151.92620 484.03768
2340.0000 -154.95906 -150.96426 3.99480 2.02254 -151.21717 532.45637
2345.0000 -155.54347 -150.15731 5.38616 2.09043 -150.15356 586.62879
2350.0000 -155.12563 -150.71031 4.41533 2.07568 -150.38470 562.33144
2355.0000 -155.53757 -150.55672 4.98085 2.06710 -150.51909 555.62852
2360.0000 -154.32864 -149.35273 4.97591 2.09513 -150.07997 564.98260
2365.0000 -154.81001 -151.06429 3.74572 2.08941 -150.16963 554.04051
2370.0000 -154.99629 -151.53933 3.45696 1.99869 -151.59069 476.48986
2375.0000 -154.55690 -149.97701 4.57989 2.02611 -151.16116 507.69120
2380.0000 -154.89452 -149.87842 5.01610 2.10076 -149.99178 546.97515
2385.0000 -154.00829 -148.70441 5.30388 2.14209 -149.34441 570.70685
2390.0000 -154.34268 -149.50437 4.83831 2.16848 -148.93103 610.84678
2395.0000 -154.33985 -150.11542 4.22443 2.13695 -149.42484 581.64972
2400.0000 -153.39503 -148.80291 4.59213 2.15190 -149.19065 580.67668
2405.0000 -154.11831 -150.28215 3.83617 2.12248 -149.65162 534.61949
2410.0000 -154.00364 -149.70569 4.29795 2.08662 -150.21331 535.41276
2415.0000 -154.33840 -149.94581 4.39259 2.10020 -150.00054 549.94099
2420.0000 -153.98467 -149.55607 4.42860 2.10577 -149.91334 581.04073
2425.0000 -153.81184 -149.76198 4.04985 2.11491 -149.77010 554.62611
2430.0000 -155.22884 -151.33460 3.89424 2.05809 -150.66025 493.07862
2435.0000 -154.38517 -149.65488 4.73029 2.11022 -149.84354 544.25075
2440.0000 -154.05062 -150.05493 3.99569 2.11738 -149.73150 566.67183
2445.0000 -155.27832 -151.09002 4.18830 2.02673 -151.15143 475.84333
2450.0000 -154.62682 -150.58831 4.03851 2.02407 -151.19310 476.56939
2455.0000 -153.68221 -149.91304 3.76917 2.06601 -150.53615 498.04573
2460.0000 -153.84256 -149.24352 4.59903 2.11243 -149.80903 562.29050
2465.0000 -154.36317 -150.33904 4.02413 2.11582 -149.75590 576.10898
2470.0000 -153.81553 -149.21169 4.60385 2.09970 -150.00846 558.67280
2475.0000 -154.85364 -150.39793 4.45572 2.12451 -149.61977 572.04590
2480.0000 -155.87536 -150.96725 4.90811 2.06114 -150.61247 540.03494
2485.0000 -156.03472 -151.65808 4.37664 2.00031 -151.56529 516.89686
2490.0000 -155.33918 -151.16533 4.17385 2.00887 -151.43120 523.85126
2495.0000 -155.03722 -150.14625 4.89097 2.04205 -150.91155 544.26644
2500.0000 -155.62571 -151.47379 4.15193 2.04304 -150.89594 533.03079
MELTING PROCESS: loop number 11 T-loop= 565.00000000000000
main_MD> interactions number 11 at Temperature= 565.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.55545 -1.09586 -3.11562
force_rgl> df(natom) -3.48692 -0.87946 -1.29242
2505.0000 -155.26810 -150.28957 4.97854 2.02147 -151.23381 527.43051
2510.0000 -154.72095 -149.93449 4.78646 2.07805 -150.34755 571.48344
2515.0000 -153.19540 -149.51640 3.67900 2.13503 -149.45495 584.32103
2520.0000 -154.00323 -149.52187 4.48136 2.14927 -149.23188 587.68315
2525.0000 -154.14987 -149.87571 4.27415 2.11009 -149.84559 554.96613
2530.0000 -153.99960 -150.52641 3.47319 2.08901 -150.17592 554.70213
2535.0000 -155.76934 -150.88699 4.88235 2.05637 -150.68709 516.84873
2540.0000 -153.30982 -148.82805 4.48177 2.10805 -149.87758 544.61931
2545.0000 -153.59884 -148.80897 4.78987 2.20109 -148.42020 622.57506
2550.0000 -154.32889 -149.18708 5.14181 2.12343 -149.63673 596.05711
2555.0000 -153.49948 -148.69756 4.80191 2.15191 -149.19059 607.94909
2560.0000 -154.87821 -150.52798 4.35023 2.15022 -149.21702 650.53700
2565.0000 -155.45527 -150.74355 4.71171 2.06490 -150.55353 577.97758
2570.0000 -156.17896 -152.26085 3.91811 2.03101 -151.08440 547.09408
2575.0000 -155.07271 -150.59848 4.47423 1.99795 -151.60236 506.40906
2580.0000 -154.52091 -150.06703 4.45388 2.09137 -150.13896 558.62957
2585.0000 -154.98778 -150.06671 4.92107 2.06057 -150.62133 536.71988
2590.0000 -153.70514 -148.91952 4.78562 2.14754 -149.25901 609.33350
2595.0000 -153.80291 -149.77051 4.03240 2.15846 -149.08788 607.82779
2600.0000 -155.55361 -150.39990 5.15372 2.08523 -150.23508 579.77592
2605.0000 -154.38984 -149.51492 4.87492 2.11460 -149.77495 593.61878
2610.0000 -154.88653 -150.45291 4.43362 2.11002 -149.84677 589.14486
2615.0000 -154.61131 -150.27074 4.34057 2.09985 -150.00608 553.62892
2620.0000 -155.51676 -150.28972 5.22704 2.08395 -150.25510 554.24642
2625.0000 -155.12820 -150.89325 4.23495 2.06938 -150.48330 560.48714
2630.0000 -155.30043 -151.31257 3.98785 2.03694 -150.99153 532.22639
2635.0000 -154.98570 -150.52496 4.46075 2.04903 -150.80216 522.49979
2640.0000 -155.03247 -150.99628 4.03620 2.03803 -150.97440 516.97045
2645.0000 -154.26486 -149.82008 4.44478 2.03759 -150.98142 526.16765
2650.0000 -154.85642 -150.24108 4.61534 2.10974 -149.85106 560.72028
2655.0000 -154.52124 -149.92027 4.60097 2.10166 -149.97777 542.77039
2660.0000 -154.12428 -148.89198 5.23230 2.12316 -149.64092 578.15548
2665.0000 -155.07753 -150.22284 4.85469 2.13095 -149.51891 616.59058
2670.0000 -154.55279 -149.78315 4.76965 2.10098 -149.98830 592.89139
2675.0000 -155.19807 -150.84291 4.35515 2.06707 -150.51954 577.75158
2680.0000 -155.52764 -151.00508 4.52256 2.05706 -150.67638 549.40202
2685.0000 -154.87750 -150.44135 4.43615 2.03720 -150.98739 530.85591
2690.0000 -155.19993 -150.98859 4.21134 2.05255 -150.74693 535.24358
2695.0000 -154.43810 -149.89944 4.53867 2.07748 -150.35650 553.50653
2700.0000 -154.08819 -149.90570 4.18249 2.09565 -150.07189 568.88631
2705.0000 -154.46338 -150.11549 4.34790 2.10493 -149.92646 565.25706
2710.0000 -154.85344 -151.13434 3.71909 2.09042 -150.15374 540.00781
2715.0000 -155.98037 -150.68980 5.29057 2.06707 -150.51951 564.14486
2720.0000 -155.76856 -151.64608 4.12248 2.01821 -151.28490 531.91889
2725.0000 -155.56503 -151.64307 3.92196 1.98420 -151.81764 506.00260
2730.0000 -154.61706 -150.05509 4.56197 2.05560 -150.69928 553.96779
2735.0000 -154.10048 -149.63547 4.46501 2.12071 -149.67934 578.40288
2740.0000 -154.08814 -149.55023 4.53792 2.12701 -149.58051 560.85492
2745.0000 -154.58945 -149.22672 5.36273 2.11929 -149.70149 563.66139
2750.0000 -153.86017 -149.22044 4.63973 2.14920 -149.23305 598.55469
MELTING PROCESS: loop number 12 T-loop= 590.00000000000000
main_MD> interactions number 12 at Temperature= 590.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.65046 0.93971 2.31748
force_rgl> df(natom) -1.58204 -3.16440 -3.07765
2755.0000 -154.17651 -149.93488 4.24163 2.13482 -149.45827 575.63884
2760.0000 -153.31696 -148.30946 5.00750 2.13199 -149.50254 570.08339
2765.0000 -153.63876 -149.07174 4.56702 2.18532 -148.66724 610.90501
2770.0000 -154.82176 -149.19411 5.62766 2.13589 -149.44152 567.43313
2775.0000 -153.47154 -148.94863 4.52291 2.16050 -149.05596 610.90151
2780.0000 -153.79055 -148.60892 5.18163 2.18521 -148.66891 606.51906
2785.0000 -154.41670 -149.67914 4.73756 2.13683 -149.42673 577.74530
2790.0000 -153.29651 -148.14263 5.15387 2.15163 -149.19494 600.79561
2795.0000 -153.29636 -149.10389 4.19247 2.20595 -148.34394 624.37476
2800.0000 -153.41448 -148.28982 5.12466 2.16977 -148.91081 572.77006
2805.0000 -153.64159 -149.25200 4.38959 2.16441 -148.99477 606.41323
2810.0000 -152.83141 -146.87908 5.95233 2.22144 -148.10129 608.61134
2815.0000 -152.40555 -147.38880 5.01675 2.27541 -147.25598 667.00509
2820.0000 -153.06113 -147.12606 5.93507 2.28242 -147.14616 677.74333
2825.0000 -154.08586 -149.41271 4.67315 2.19659 -148.49067 597.73097
2830.0000 -154.04086 -150.13177 3.90909 2.10084 -149.99048 532.87118
2835.0000 -154.49741 -149.39223 5.10518 2.14646 -149.27592 587.27751
2840.0000 -153.77918 -149.26869 4.51048 2.13423 -149.46745 564.58427
2845.0000 -154.01632 -149.04582 4.97049 2.19290 -148.54835 606.70952
2850.0000 -153.84147 -149.47050 4.37098 2.16716 -148.95166 577.17434
2855.0000 -153.39439 -148.26042 5.13398 2.19287 -148.54886 614.40423
2860.0000 -154.75245 -149.62581 5.12664 2.16737 -148.94843 576.47188
2865.0000 -154.41015 -150.32722 4.08293 2.10378 -149.94451 537.59829
2870.0000 -154.00430 -148.99453 5.00978 2.12965 -149.53923 560.37094
2875.0000 -155.17807 -149.91656 5.26151 2.15181 -149.19214 609.41124
2880.0000 -154.86064 -150.13932 4.72132 2.07382 -150.41374 543.61098
2885.0000 -152.94365 -148.56250 4.38114 2.12974 -149.53776 579.23942
2890.0000 -153.53303 -148.88152 4.65151 2.17774 -148.78589 594.93153
2895.0000 -153.52079 -148.67721 4.84358 2.21188 -148.25116 610.42135
2900.0000 -152.71077 -147.32631 5.38446 2.24581 -147.71952 613.28843
2905.0000 -153.40885 -148.99843 4.41042 2.19639 -148.49371 603.68549
2910.0000 -153.00083 -148.14310 4.85773 2.17226 -148.87173 581.09015
2915.0000 -153.31127 -148.42346 4.88781 2.20857 -148.30289 605.97494
2920.0000 -153.45919 -148.36493 5.09426 2.19682 -148.48699 605.63574
2925.0000 -152.91633 -148.58458 4.33175 2.21035 -148.27503 627.16449
2930.0000 -153.00981 -148.14634 4.86347 2.16903 -148.92234 595.30721
2935.0000 -153.93689 -149.72733 4.20956 2.18527 -148.66790 612.23191
2940.0000 -152.93988 -148.64959 4.29029 2.15322 -149.17008 582.80796
2945.0000 -154.01021 -148.50636 5.50384 2.20668 -148.33259 642.27231
2950.0000 -154.08400 -149.04401 5.03999 2.19216 -148.55996 647.62144
2955.0000 -154.51649 -150.49839 4.01810 2.08382 -150.25708 573.70886
2960.0000 -154.86922 -149.84269 5.02652 2.06354 -150.57479 545.06330
2965.0000 -152.59945 -147.87353 4.72593 2.18209 -148.71773 601.67818
2970.0000 -154.52126 -149.04695 5.47431 2.21148 -148.25734 645.86776
2975.0000 -154.67267 -150.92566 3.74701 2.13720 -149.42098 590.62475
2980.0000 -155.28082 -150.74017 4.54065 2.06120 -150.61155 535.17966
2985.0000 -155.82036 -150.73417 5.08619 2.04690 -150.83553 535.00622
2990.0000 -155.39842 -150.41136 4.98706 2.07836 -150.34262 545.09328
2995.0000 -155.26267 -151.65311 3.60957 2.04299 -150.89682 514.01035
3000.0000 -154.78092 -149.93962 4.84130 2.04388 -150.88279 498.29181
MELTING PROCESS: loop number 13 T-loop= 615.00000000000000
main_MD> interactions number 13 at Temperature= 615.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.83240 -0.76315 2.21808
force_rgl> df(natom) -1.60858 0.47804 -1.60081
3005.0000 -154.36017 -150.01956 4.34062 2.08251 -150.27769 543.56938
3010.0000 -154.19159 -149.91412 4.27747 2.15391 -149.15926 595.64246
3015.0000 -153.79956 -148.60246 5.19710 2.16795 -148.93925 616.70367
3020.0000 -154.59931 -149.56469 5.03461 2.15328 -149.16908 578.66316
3025.0000 -154.29950 -149.65744 4.64206 2.10555 -149.91680 544.93724
3030.0000 -154.03202 -148.31356 5.71846 2.14346 -149.32292 591.13403
3035.0000 -154.36342 -149.21679 5.14662 2.19284 -148.54944 631.91191
3040.0000 -154.27376 -148.68739 5.58637 2.18479 -148.67547 620.50772
3045.0000 -153.85243 -149.05636 4.79606 2.15574 -149.13055 600.28320
3050.0000 -153.86953 -149.34894 4.52059 2.13874 -149.39689 597.96492
3055.0000 -154.27195 -149.17441 5.09754 2.12665 -149.58621 597.08284
3060.0000 -153.84853 -148.97991 4.86862 2.12664 -149.58636 597.70071
3065.0000 -153.87515 -148.44431 5.43084 2.20261 -148.39630 623.91141
3070.0000 -153.09142 -148.72945 4.36196 2.15013 -149.21848 570.44335
3075.0000 -153.77666 -148.95617 4.82049 2.18416 -148.68529 583.14444
3080.0000 -153.66505 -148.81925 4.84580 2.15449 -149.15006 564.93278
3085.0000 -152.95958 -148.08674 4.87285 2.19661 -148.49038 613.19048
3090.0000 -153.23812 -148.95496 4.28316 2.20428 -148.37018 603.14824
3095.0000 -153.77145 -148.44272 5.32873 2.16158 -149.03912 574.03390
3100.0000 -153.28575 -148.49034 4.79541 2.21963 -148.12967 653.27091
3105.0000 -152.26251 -147.44541 4.81710 2.20730 -148.32286 627.31756
3110.0000 -153.46535 -149.22688 4.23847 2.20594 -148.34411 614.29798
3115.0000 -153.02659 -148.61029 4.41629 2.17974 -148.75454 610.30897
3120.0000 -154.27317 -149.65424 4.61893 2.18171 -148.72372 588.03028
3125.0000 -153.18644 -148.62831 4.55813 2.16965 -148.91263 592.87703
3130.0000 -153.06735 -147.63254 5.43481 2.19136 -148.57259 614.09031
3135.0000 -152.73948 -146.94012 5.79935 2.28275 -147.14094 673.20843
3140.0000 -153.78510 -148.53491 5.25018 2.23680 -147.86073 619.24666
3145.0000 -153.81062 -148.95705 4.85357 2.18382 -148.69072 601.84751
3150.0000 -154.33176 -148.87932 5.45244 2.19107 -148.57715 604.89840
3155.0000 -152.88750 -147.95243 4.93507 2.25590 -147.56160 634.42781
3160.0000 -152.62329 -147.58500 5.03829 2.23529 -147.88447 646.18966
3165.0000 -153.37594 -147.92048 5.45546 2.28872 -147.04746 685.03367
3170.0000 -153.51453 -148.18419 5.33034 2.19638 -148.49393 611.13420
3175.0000 -154.34973 -149.85036 4.49937 2.15001 -149.22022 583.69776
3180.0000 -154.16379 -150.26420 3.89959 2.11022 -149.84361 545.40122
3185.0000 -154.18098 -148.66241 5.51857 2.14456 -149.30566 579.17659
3190.0000 -153.01833 -148.25743 4.76091 2.19397 -148.53171 614.04740
3195.0000 -153.59279 -149.02163 4.57116 2.19946 -148.44561 594.83497
3200.0000 -154.50681 -149.63256 4.87425 2.15543 -149.13545 588.53445
3205.0000 -153.80606 -149.21481 4.59125 2.16188 -149.03443 575.02686
3210.0000 -154.01694 -149.72753 4.28941 2.16354 -149.00838 586.76394
3215.0000 -153.38449 -148.28429 5.10020 2.16942 -148.91617 578.21943
3220.0000 -153.02704 -148.00489 5.02215 2.21895 -148.14042 616.08796
3225.0000 -153.48388 -148.97254 4.51134 2.18904 -148.60895 601.50973
3230.0000 -153.12854 -149.12514 4.00340 2.15313 -149.17135 565.99923
3235.0000 -153.16184 -148.99803 4.16381 2.17647 -148.80585 607.00252
3240.0000 -153.63213 -149.24123 4.39091 2.13283 -149.48937 573.34564
3245.0000 -153.44495 -148.37036 5.07459 2.19434 -148.52587 606.14116
3250.0000 -151.58760 -146.43331 5.15428 2.25559 -147.56645 640.80886
MELTING PROCESS: loop number 14 T-loop= 640.00000000000000
main_MD> interactions number 14 at Temperature= 640.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.64618 0.38395 2.53578
force_rgl> df(natom) -0.23046 -3.61177 1.75339
3255.0000 -152.01370 -146.02786 5.98584 2.33313 -146.35168 691.11164
3260.0000 -152.81068 -147.53277 5.27791 2.31444 -146.64454 724.33818
3265.0000 -152.28774 -147.17990 5.10784 2.26965 -147.34609 668.70667
3270.0000 -153.26238 -147.59162 5.67076 2.26893 -147.35736 640.66073
3275.0000 -152.94707 -147.75412 5.19296 2.22103 -148.10772 614.67782
3280.0000 -153.48450 -147.77328 5.71122 2.21663 -148.17670 609.52773
3285.0000 -153.08968 -146.85771 6.23197 2.27787 -147.21739 660.63045
3290.0000 -152.16956 -146.19329 5.97627 2.36105 -145.91432 731.29981
3295.0000 -151.80264 -147.38602 4.41661 2.27933 -147.19451 680.44854
3300.0000 -152.78626 -146.58659 6.19967 2.24256 -147.77056 632.98072
3305.0000 -151.94117 -147.57379 4.36738 2.23488 -147.89085 650.22988
3310.0000 -153.09092 -149.00736 4.08356 2.18839 -148.61909 597.01963
3315.0000 -153.16451 -148.39327 4.77124 2.19198 -148.56288 616.36779
3320.0000 -152.74811 -148.03584 4.71227 2.21530 -148.19756 626.67171
3325.0000 -153.73294 -148.40585 5.32709 2.17102 -148.89118 572.84411
3330.0000 -153.04623 -146.77007 6.27616 2.24196 -147.77998 664.61354
3335.0000 -153.35181 -148.53882 4.81299 2.25896 -147.51358 655.77108
3340.0000 -153.68278 -148.06291 5.61987 2.21893 -148.14073 647.88145
3345.0000 -152.57090 -147.23794 5.33296 2.26134 -147.47637 660.05888
3350.0000 -153.34120 -147.83819 5.50301 2.25267 -147.61207 650.20836
3355.0000 -152.77789 -147.97093 4.80696 2.24701 -147.70078 646.32526
3360.0000 -153.03467 -147.84999 5.18468 2.24756 -147.69216 633.98886
3365.0000 -152.51541 -147.61197 4.90344 2.22293 -148.07800 628.87579
3370.0000 -152.75357 -148.09748 4.65609 2.21901 -148.13945 622.98783
3375.0000 -153.13404 -148.20684 4.92720 2.20811 -148.31014 615.15059
3380.0000 -153.82064 -148.78524 5.03541 2.18676 -148.64456 608.15842
3385.0000 -153.55888 -148.64416 4.91472 2.17219 -148.87279 601.06608
3390.0000 -152.71491 -148.18415 4.53076 2.20684 -148.33001 602.64121
3395.0000 -153.57857 -147.65662 5.92196 2.19859 -148.45922 626.58633
3400.0000 -152.41217 -147.58096 4.83121 2.25184 -147.62518 666.04912
3405.0000 -152.77576 -147.51900 5.25676 2.25705 -147.54348 636.03804
3410.0000 -153.00200 -147.84841 5.15359 2.24820 -147.68210 623.92555
3415.0000 -153.15599 -147.31803 5.83796 2.26094 -147.48259 652.29193
3420.0000 -152.49436 -146.93064 5.56373 2.31167 -146.68798 683.47699
3425.0000 -151.10445 -146.68768 4.41677 2.30413 -146.80597 660.18265
3430.0000 -152.34728 -147.96024 4.38704 2.29762 -146.90798 643.46748
3435.0000 -152.88361 -148.09685 4.78676 2.24068 -147.79995 636.57717
3440.0000 -152.82319 -147.01663 5.80657 2.29782 -146.90487 701.58286
3445.0000 -153.92494 -147.89051 6.03443 2.29113 -147.00962 707.30043
3450.0000 -154.30152 -147.86711 6.43441 2.20635 -148.33774 646.85906
3455.0000 -152.97965 -148.70039 4.27926 2.20399 -148.37466 617.86672
3460.0000 -153.42053 -149.22695 4.19358 2.18766 -148.63056 612.63323
3465.0000 -153.40584 -148.48767 4.91816 2.20604 -148.34257 606.65458
3470.0000 -152.78300 -147.97553 4.80747 2.24405 -147.74718 655.37867
3475.0000 -153.62496 -148.52796 5.09699 2.20632 -148.33824 634.85939
3480.0000 -154.02343 -149.27732 4.74610 2.16133 -149.04292 601.29531
3485.0000 -153.26325 -148.16451 5.09875 2.16301 -149.01658 596.30260
3490.0000 -153.17737 -148.03061 5.14676 2.24728 -147.69660 660.28281
3495.0000 -152.40470 -147.52124 4.88345 2.23560 -147.87948 647.97754
3500.0000 -153.75379 -147.95943 5.79436 2.24724 -147.69727 631.37728
MELTING PROCESS: loop number 15 T-loop= 665.00000000000000
main_MD> interactions number 15 at Temperature= 665.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.09910 1.77417 1.09181
force_rgl> df(natom) -0.69607 -0.15587 -1.68889
3505.0000 -152.25255 -147.56780 4.68474 2.24204 -147.77865 644.16340
3510.0000 -151.73941 -146.33689 5.40252 2.31787 -146.59084 669.56468
3515.0000 -151.59171 -145.95430 5.63742 2.35381 -146.02774 706.96275
3520.0000 -152.25737 -147.40735 4.85002 2.28481 -147.10873 679.22774
3525.0000 -151.66739 -146.90102 4.76636 2.30461 -146.79856 676.49276
3530.0000 -152.98565 -147.10549 5.88017 2.27631 -147.24178 664.53463
3535.0000 -152.36723 -147.48582 4.88141 2.25205 -147.62177 648.82654
3540.0000 -151.94598 -147.47987 4.46611 2.27979 -147.18731 693.15132
3545.0000 -151.33356 -145.79395 5.53961 2.30146 -146.84789 673.09411
3550.0000 -152.35190 -147.88450 4.46740 2.29582 -146.93616 675.69151
3555.0000 -152.00150 -146.85632 5.14518 2.23118 -147.94882 633.01358
3560.0000 -152.47968 -146.87693 5.60275 2.29454 -146.95620 680.36087
3565.0000 -153.26846 -147.78692 5.48154 2.25244 -147.61572 672.32540
3570.0000 -151.73559 -146.38803 5.34756 2.29673 -146.92202 703.30406
3575.0000 -153.00196 -147.35424 5.64772 2.29815 -146.89967 690.24531
3580.0000 -152.92990 -147.07875 5.85114 2.23514 -147.88677 644.81857
3585.0000 -152.49497 -147.29731 5.19765 2.28667 -147.07954 693.44653
3590.0000 -152.16101 -147.02302 5.13799 2.27824 -147.21159 674.47894
3595.0000 -152.06895 -146.29985 5.76910 2.31928 -146.56862 688.95338
3600.0000 -152.62564 -147.54162 5.08402 2.28009 -147.18262 646.25868
3605.0000 -152.61803 -147.32510 5.29293 2.24525 -147.72829 653.91890
3610.0000 -151.83947 -146.35657 5.48290 2.32544 -146.47221 712.30655
3615.0000 -151.54154 -145.87569 5.66585 2.34785 -146.12118 716.38699
3620.0000 -151.50630 -145.83778 5.66852 2.36895 -145.79068 753.35842
3625.0000 -152.16070 -147.03192 5.12878 2.31620 -146.61701 690.76119
3630.0000 -153.06640 -147.84123 5.22518 2.26932 -147.35126 651.11503
3635.0000 -152.23094 -147.73666 4.49428 2.23272 -147.92462 629.83614
3640.0000 -152.55668 -147.05868 5.49800 2.28169 -147.15753 662.51206
3645.0000 -152.96580 -147.94821 5.01759 2.24031 -147.80580 615.05997
3650.0000 -151.58451 -145.52450 6.06001 2.34157 -146.21958 732.23757
3655.0000 -152.82582 -146.62818 6.19764 2.35614 -145.99128 717.81987
3660.0000 -154.11402 -149.68455 4.42948 2.22773 -148.00285 660.41826
3665.0000 -153.97266 -148.96568 5.00697 2.18951 -148.60146 623.83821
3670.0000 -153.91886 -149.62054 4.29832 2.15755 -149.10217 585.39653
3675.0000 -153.85557 -149.26179 4.59377 2.14566 -149.28851 590.09178
3680.0000 -152.63543 -147.33703 5.29841 2.20913 -148.29423 627.28605
3685.0000 -153.67962 -148.01022 5.66940 2.18498 -148.67242 611.52121
3690.0000 -151.94211 -146.22832 5.71379 2.29890 -146.88798 720.76040
3695.0000 -152.13535 -146.79949 5.33586 2.31990 -146.55901 691.49401
3700.0000 -152.22306 -146.07118 6.15188 2.31009 -146.71259 698.36559
3705.0000 -151.43674 -145.96804 5.46870 2.34620 -146.14699 715.89810
3710.0000 -151.92374 -146.95417 4.96957 2.35811 -145.96042 699.38035
3715.0000 -152.78823 -147.16576 5.62247 2.28817 -147.05599 667.11722
3720.0000 -152.01387 -147.00602 5.00785 2.29580 -146.93646 662.76446
3725.0000 -152.16859 -146.50752 5.66107 2.34274 -146.20113 718.25821
3730.0000 -153.12190 -147.88526 5.23664 2.32942 -146.40985 704.43843
3735.0000 -153.29004 -148.29453 4.99551 2.20397 -148.37507 609.38396
3740.0000 -152.72479 -148.18446 4.54034 2.26098 -147.48203 645.77352
3745.0000 -152.34424 -147.52338 4.82086 2.22156 -148.09950 626.13922
3750.0000 -152.64652 -147.37257 5.27396 2.29003 -147.02689 650.78174
MELTING PROCESS: loop number 16 T-loop= 690.00000000000000
main_MD> interactions number 16 at Temperature= 690.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.86357 0.80864 -1.70839
force_rgl> df(natom) -0.31245 -2.05937 -3.06798
3755.0000 -153.79575 -147.51339 6.28236 2.29647 -146.92596 682.15170
3760.0000 -153.26759 -147.53964 5.72795 2.24388 -147.74977 651.56984
3765.0000 -153.40321 -148.23321 5.17001 2.26742 -147.38114 662.57221
3770.0000 -152.64318 -146.04851 6.59468 2.26594 -147.40421 662.12836
3775.0000 -150.04409 -144.77070 5.27339 2.39155 -145.43661 774.92731
3780.0000 -150.90514 -144.90136 6.00378 2.37981 -145.62053 704.80073
3785.0000 -151.40235 -146.58909 4.81325 2.36141 -145.90871 682.48023
3790.0000 -152.48255 -146.98016 5.50239 2.31354 -146.65868 678.07230
3795.0000 -151.30477 -146.35339 4.95138 2.31781 -146.59173 690.35062
3800.0000 -151.78663 -145.77724 6.00939 2.37952 -145.62508 730.55027
3805.0000 -152.74260 -147.20205 5.54055 2.32744 -146.44094 690.80749
3810.0000 -151.42916 -146.75334 4.67582 2.30836 -146.73976 672.49271
3815.0000 -152.72786 -147.56189 5.16597 2.36132 -145.91020 717.22503
3820.0000 -151.24024 -146.54572 4.69452 2.28729 -147.06979 673.21457
3825.0000 -151.67258 -144.74395 6.92864 2.38192 -145.58752 739.56928
3830.0000 -152.12778 -146.20210 5.92568 2.37407 -145.71034 723.51827
3835.0000 -152.33778 -146.84326 5.49453 2.34088 -146.23039 715.85772
3840.0000 -152.17418 -146.65662 5.51755 2.30626 -146.77264 681.66272
3845.0000 -153.63622 -147.75654 5.87968 2.29776 -146.90583 653.03262
3850.0000 -153.51217 -147.36338 6.14879 2.26055 -147.48871 654.49874
3855.0000 -152.42864 -145.79510 6.63354 2.31879 -146.57637 710.43027
3860.0000 -152.35002 -145.97122 6.37880 2.33345 -146.34676 707.86304
3865.0000 -152.64653 -147.68496 4.96157 2.30269 -146.82855 692.80444
3870.0000 -152.13898 -147.33901 4.79998 2.28187 -147.15479 669.02245
3875.0000 -152.89394 -148.24967 4.64427 2.21797 -148.15575 623.75787
3880.0000 -152.12996 -147.52208 4.60788 2.24991 -147.65545 640.07324
3885.0000 -153.18944 -147.20607 5.98337 2.26441 -147.42823 670.34736
3890.0000 -152.58011 -147.22824 5.35187 2.29937 -146.88059 692.33416
3895.0000 -151.60938 -145.84112 5.76826 2.33907 -146.25866 697.76313
3900.0000 -151.94037 -146.84169 5.09868 2.32573 -146.46765 712.67785
3905.0000 -153.49327 -148.56018 4.93309 2.24716 -147.69847 640.63623
3910.0000 -152.31077 -146.98433 5.32644 2.25514 -147.57342 658.03745
3915.0000 -151.72443 -145.41426 6.31017 2.37090 -145.76011 758.92179
3920.0000 -151.86318 -145.96456 5.89862 2.37441 -145.70514 734.97628
3925.0000 -151.41206 -145.19395 6.21811 2.37994 -145.61854 739.49276
3930.0000 -153.38459 -148.12566 5.25893 2.31257 -146.67384 709.82206
3935.0000 -152.84507 -147.15685 5.68822 2.25899 -147.51313 673.11318
3940.0000 -151.52943 -145.39444 6.13499 2.34747 -146.12713 718.82448
3945.0000 -151.07913 -145.65224 5.42689 2.35778 -145.96566 730.19589
3950.0000 -152.06447 -146.58576 5.47871 2.32160 -146.53231 695.33070
3955.0000 -151.94407 -146.68020 5.26387 2.32114 -146.53952 691.60229
3960.0000 -153.05477 -148.53328 4.52149 2.23877 -147.82984 610.19121
3965.0000 -152.48157 -147.29714 5.18443 2.25469 -147.58048 646.64478
3970.0000 -152.51257 -147.08809 5.42448 2.25895 -147.51382 668.28529
3975.0000 -152.87562 -146.86538 6.01024 2.29413 -146.96266 705.95049
3980.0000 -152.64045 -147.46533 5.17512 2.30928 -146.72535 704.08103
3985.0000 -153.04693 -147.51872 5.52822 2.21214 -148.24696 632.65132
3990.0000 -152.78207 -147.33776 5.44431 2.27565 -147.25223 668.74327
3995.0000 -152.54265 -147.43493 5.10772 2.26094 -147.48266 665.79058
4000.0000 -153.77710 -148.55561 5.22149 2.24712 -147.69905 666.31819
MELTING PROCESS: loop number 17 T-loop= 715.00000000000000
main_MD> interactions number 17 at Temperature= 715.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.45959 0.00302 -3.22125
force_rgl> df(natom) -0.71549 0.07674 -3.65210
4005.0000 -153.60208 -148.35102 5.25106 2.21020 -148.27746 658.09413
4010.0000 -152.13556 -146.96160 5.17396 2.27851 -147.20728 672.56590
4015.0000 -152.56385 -145.29453 7.26933 2.34000 -146.24414 726.87499
4020.0000 -151.37360 -145.50891 5.86468 2.42278 -144.94740 774.74080
4025.0000 -151.37196 -145.38890 5.98306 2.41028 -145.14321 763.15938
4030.0000 -152.74684 -146.92836 5.81848 2.34310 -146.19551 714.82455
4035.0000 -151.19120 -144.65854 6.53266 2.40352 -145.24912 763.93920
4040.0000 -151.26813 -144.12099 7.14714 2.41945 -144.99951 768.29079
4045.0000 -151.33224 -146.41555 4.91669 2.37559 -145.68667 696.61163
4050.0000 -151.59400 -145.59847 5.99553 2.39569 -145.37175 734.82814
4055.0000 -151.66596 -146.16448 5.50149 2.34248 -146.20534 708.65696
4060.0000 -152.13315 -146.43733 5.69582 2.36217 -145.89675 704.17894
4065.0000 -151.76243 -146.63079 5.13165 2.30319 -146.82070 690.43937
4070.0000 -152.45221 -146.95678 5.49544 2.30945 -146.72268 668.30176
4075.0000 -151.27071 -145.41487 5.85584 2.36116 -145.91266 728.22603
4080.0000 -151.33614 -145.35310 5.98304 2.42432 -144.92327 794.34191
4085.0000 -151.68317 -145.74323 5.93994 2.40877 -145.16680 738.22445
4090.0000 -150.40020 -144.29068 6.10952 2.43911 -144.69149 752.45734
4095.0000 -151.61761 -146.08142 5.53619 2.40345 -145.25013 772.14069
4100.0000 -152.17547 -147.28044 4.89503 2.35238 -146.05021 702.04730
4105.0000 -152.55811 -146.40411 6.15400 2.33873 -146.26407 704.22166
4110.0000 -152.88125 -147.58609 5.29516 2.27162 -147.31528 665.68240
4115.0000 -151.61633 -146.88880 4.72753 2.22969 -147.97205 640.56355
4120.0000 -152.03724 -146.07657 5.96067 2.36898 -145.79021 727.08886
4125.0000 -152.51352 -146.79092 5.72260 2.31933 -146.56789 725.72075
4130.0000 -151.08721 -146.15815 4.92906 2.38064 -145.60752 749.12522
4135.0000 -151.18030 -145.57486 5.60543 2.38462 -145.54521 719.00220
4140.0000 -151.83485 -145.60867 6.22617 2.36135 -145.90963 736.57119
4145.0000 -151.52000 -146.65770 4.86230 2.34395 -146.18221 733.25260
4150.0000 -152.60970 -147.21719 5.39251 2.34611 -146.14840 702.87740
4155.0000 -152.91118 -147.97942 4.93176 2.29173 -147.00030 680.31111
4160.0000 -151.18192 -144.74442 6.43749 2.30242 -146.83286 682.63025
4165.0000 -151.03177 -145.01220 6.01957 2.41813 -145.02017 765.43479
4170.0000 -151.73082 -144.87924 6.85158 2.41070 -145.13657 757.33518
4175.0000 -150.49130 -145.15951 5.33179 2.39896 -145.32050 749.12766
4180.0000 -150.81352 -144.47895 6.33457 2.43991 -144.67909 779.76917
4185.0000 -149.98376 -145.02232 4.96144 2.43943 -144.68663 745.25834
4190.0000 -152.34937 -145.90638 6.44299 2.38388 -145.55676 712.50136
4195.0000 -151.58243 -144.98516 6.59728 2.37874 -145.63726 741.89123
4200.0000 -150.97976 -145.74066 5.23910 2.36784 -145.80808 730.02965
4205.0000 -151.97305 -146.36396 5.60909 2.36526 -145.84847 701.13231
4210.0000 -151.74203 -146.35623 5.38580 2.37176 -145.74666 728.09086
4215.0000 -151.10134 -145.40340 5.69794 2.34916 -146.10061 724.08317
4220.0000 -152.99600 -146.76704 6.22896 2.34278 -146.20050 722.24645
4225.0000 -150.81704 -145.99330 4.82374 2.32023 -146.55385 679.34676
4230.0000 -150.90728 -145.69853 5.20876 2.35636 -145.98779 707.83853
4235.0000 -151.88211 -146.51204 5.37007 2.32928 -146.41198 693.66699
4240.0000 -152.40478 -147.18697 5.21781 2.29987 -146.87282 672.63282
4245.0000 -151.60829 -146.43455 5.17374 2.35913 -145.94443 713.10975
4250.0000 -149.88301 -145.25222 4.63080 2.36458 -145.85907 715.98715
MELTING PROCESS: loop number 18 T-loop= 740.00000000000000
main_MD> interactions number 18 at Temperature= 740.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.67841 3.65135 -1.05950
force_rgl> df(natom) 0.73417 2.65176 -2.23285
4255.0000 -152.64232 -146.72654 5.91578 2.35908 -145.94517 742.64538
4260.0000 -153.33008 -147.94000 5.39008 2.28347 -147.12963 675.92966
4265.0000 -151.76628 -145.21095 6.55533 2.32403 -146.49424 732.52316
4270.0000 -151.85635 -145.99095 5.86540 2.36188 -145.90142 712.91440
4275.0000 -151.15641 -146.21598 4.94043 2.37135 -145.75298 718.61624
4280.0000 -151.11715 -146.56042 4.55673 2.35104 -146.07116 710.22390
4285.0000 -152.46868 -146.87060 5.59809 2.33876 -146.26356 704.50062
4290.0000 -152.40004 -146.80949 5.59056 2.25397 -147.59177 641.45503
4295.0000 -151.75070 -146.58049 5.17020 2.33106 -146.38411 676.69177
4300.0000 -153.69707 -147.87244 5.82464 2.29724 -146.91393 676.69324
4305.0000 -152.75036 -146.86518 5.88518 2.24716 -147.69851 653.62020
4310.0000 -152.72144 -146.61210 6.10934 2.29399 -146.96494 681.54679
4315.0000 -152.42689 -146.58564 5.84125 2.29659 -146.92412 718.09699
4320.0000 -152.13632 -146.13365 6.00267 2.34046 -146.23693 698.53602
4325.0000 -149.62631 -142.06440 7.56191 2.45924 -144.37627 782.63067
4330.0000 -151.56156 -143.52267 8.03889 2.57969 -142.48933 871.12230
4335.0000 -151.26459 -144.84918 6.41541 2.47747 -144.09071 787.53109
4340.0000 -149.15075 -144.14402 5.00673 2.46528 -144.28162 788.77950
4345.0000 -151.34254 -143.61686 7.72567 2.52005 -143.42363 833.98301
4350.0000 -149.52157 -143.54755 5.97402 2.52470 -143.35080 848.95208
4355.0000 -148.97693 -143.29938 5.67755 2.58191 -142.45455 863.84668
4360.0000 -149.97948 -144.86479 5.11469 2.46613 -144.26838 756.35851
4365.0000 -150.66645 -143.89955 6.76690 2.41745 -145.03083 741.52201
4370.0000 -149.85128 -145.61754 4.23374 2.42488 -144.91447 746.07304
4375.0000 -150.61791 -145.07790 5.54001 2.42368 -144.93333 753.73981
4380.0000 -151.70662 -145.56180 6.14482 2.41573 -145.05786 768.13871
4385.0000 -152.35314 -145.57850 6.77464 2.40473 -145.23015 750.38641
4390.0000 -152.18376 -145.78626 6.39750 2.38821 -145.48896 767.06003
4395.0000 -149.90575 -144.18660 5.71915 2.44329 -144.62605 747.79949
4400.0000 -152.33270 -146.08965 6.24305 2.38623 -145.51999 728.04764
4405.0000 -152.23849 -145.72165 6.51683 2.30743 -146.75437 700.24593
4410.0000 -151.73074 -145.52875 6.20199 2.31718 -146.60163 702.32251
4415.0000 -150.81870 -144.43046 6.38823 2.40966 -145.15284 751.42864
4420.0000 -150.40536 -144.40404 6.00133 2.48573 -143.96128 762.10508
4425.0000 -149.70167 -143.67691 6.02475 2.46850 -144.23123 760.13134
4430.0000 -150.53155 -144.70357 5.82799 2.46709 -144.25327 796.07714
4435.0000 -152.07408 -145.97401 6.10007 2.37099 -145.75860 711.50724
4440.0000 -150.61433 -144.50117 6.11316 2.41672 -145.04236 772.34265
4445.0000 -150.96442 -143.78455 7.17987 2.46555 -144.27741 767.63080
4450.0000 -150.72896 -144.10683 6.62213 2.49145 -143.87169 777.25620
4455.0000 -150.79446 -145.12098 5.67348 2.43844 -144.70214 753.86707
4460.0000 -151.84152 -146.43605 5.40547 2.36888 -145.79177 714.44538
4465.0000 -151.70590 -145.82541 5.88049 2.32905 -146.41563 697.22786
4470.0000 -150.99836 -145.40982 5.58854 2.40506 -145.22493 765.89393
4475.0000 -151.00466 -145.37962 5.62505 2.40444 -145.23471 763.22575
4480.0000 -151.51215 -146.23831 5.27384 2.34164 -146.21842 709.86360
4485.0000 -151.94078 -145.14293 6.79785 2.35361 -146.03096 728.86966
4490.0000 -152.61284 -146.01110 6.60174 2.37698 -145.66480 706.90908
4495.0000 -151.07569 -145.32954 5.74615 2.38900 -145.47661 745.03353
4500.0000 -151.59053 -146.72772 4.86280 2.36587 -145.83883 716.85340
MELTING PROCESS: loop number 19 T-loop= 765.00000000000000
main_MD> interactions number 19 at Temperature= 765.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.24665 -0.38330 1.04049
force_rgl> df(natom) 3.34384 3.46437 0.44377
4505.0000 -152.23395 -146.96719 5.26677 2.29805 -146.90132 677.59410
4510.0000 -149.24449 -143.33812 5.90637 2.38446 -145.54770 761.59883
4515.0000 -151.51023 -144.72840 6.78183 2.53085 -143.25450 834.96964
4520.0000 -149.89948 -143.57838 6.32110 2.45384 -144.46077 772.66355
4525.0000 -150.86680 -144.14083 6.72597 2.46190 -144.33450 803.31674
4530.0000 -152.33620 -145.73378 6.60243 2.40346 -145.25006 743.40564
4535.0000 -150.27112 -144.64021 5.63091 2.40911 -145.16156 765.42525
4540.0000 -151.23112 -145.18097 6.05014 2.40341 -145.25089 748.74453
4545.0000 -149.86521 -143.51629 6.34891 2.50046 -143.73056 819.43951
4550.0000 -150.85134 -145.37299 5.47836 2.45005 -144.52020 796.47559
4555.0000 -151.21680 -145.21974 5.99706 2.40778 -145.18231 755.44144
4560.0000 -152.10353 -146.21587 5.88767 2.38237 -145.58034 748.53075
4565.0000 -151.39127 -145.88970 5.50158 2.35265 -146.04591 720.37840
4570.0000 -151.32828 -145.90705 5.42123 2.37252 -145.73477 732.74510
4575.0000 -151.17228 -145.01653 6.15575 2.39085 -145.44762 726.81890
4580.0000 -149.67905 -144.28014 5.39890 2.46259 -144.32378 778.88651
4585.0000 -150.73308 -143.60165 7.13143 2.50753 -143.61983 847.40779
4590.0000 -150.06568 -144.12862 5.93706 2.47093 -144.19317 782.37039
4595.0000 -150.77280 -144.21418 6.55862 2.45445 -144.45121 756.17356
4600.0000 -150.83317 -144.86291 5.97026 2.46170 -144.33769 782.05757
4605.0000 -150.87152 -145.33209 5.53943 2.41447 -145.07762 766.67277
4610.0000 -150.50599 -144.83762 5.66837 2.40017 -145.30151 762.33579
4615.0000 -149.18342 -143.03440 6.14903 2.47019 -144.20466 795.76295
4620.0000 -151.17688 -143.41527 7.76160 2.51776 -143.45949 826.15212
4625.0000 -151.32588 -144.81936 6.50651 2.46350 -144.30957 813.82273
4630.0000 -153.12702 -147.84281 5.28421 2.34022 -146.24063 717.86068
4635.0000 -152.14758 -146.19839 5.94918 2.30439 -146.80188 725.74647
4640.0000 -150.30711 -144.60108 5.70602 2.37018 -145.77142 727.04854
4645.0000 -150.81127 -144.83068 5.98059 2.42984 -144.83672 774.52731
4650.0000 -151.05878 -143.96204 7.09675 2.47487 -144.13133 819.02964
4655.0000 -151.60838 -145.21581 6.39257 2.41651 -145.04561 785.93981
4660.0000 -150.88382 -144.93286 5.95096 2.39778 -145.33897 756.80204
4665.0000 -150.11568 -144.04379 6.07188 2.43343 -144.78050 771.95926
4670.0000 -151.17070 -145.06003 6.11067 2.48255 -144.01105 801.24553
4675.0000 -150.50181 -144.63739 5.86442 2.46823 -144.23546 803.50013
4680.0000 -151.61688 -145.62466 5.99222 2.38828 -145.48785 744.16928
4685.0000 -151.61684 -144.98495 6.63189 2.43884 -144.69585 782.05975
4690.0000 -149.62245 -142.71687 6.90558 2.51342 -143.52757 830.14940
4695.0000 -149.83754 -142.33052 7.50702 2.54339 -143.05800 831.88748
4700.0000 -148.44101 -142.83151 5.60950 2.57660 -142.53774 844.96911
4705.0000 -148.85307 -142.80021 6.05286 2.56919 -142.65394 841.71099
4710.0000 -150.18720 -144.83872 5.34847 2.50455 -143.66647 813.06065
4715.0000 -149.86188 -142.84584 7.01604 2.47131 -144.18715 801.84021
4720.0000 -150.36787 -142.95498 7.41289 2.54763 -142.99169 853.73646
4725.0000 -151.39492 -144.55561 6.83931 2.51091 -143.56681 811.13546
4730.0000 -150.78522 -144.34685 6.43837 2.41145 -145.12492 762.34923
4735.0000 -150.76059 -144.71098 6.04961 2.44795 -144.55303 802.58324
4740.0000 -152.04027 -146.93097 5.10930 2.40626 -145.20620 757.65020
4745.0000 -150.60170 -144.39313 6.20857 2.39871 -145.32437 729.34081
4750.0000 -150.54237 -143.93801 6.60436 2.43819 -144.70596 788.65592
MELTING PROCESS: loop number 20 T-loop= 790.00000000000000
main_MD> interactions number 20 at Temperature= 790.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.81470 2.83749 0.97475
force_rgl> df(natom) 1.54751 -5.94784 4.48805
4755.0000 -148.50687 -142.26535 6.24152 2.51465 -143.50824 825.78400
4760.0000 -149.55191 -141.80502 7.74689 2.59994 -142.17219 874.23106
4765.0000 -149.90719 -144.37427 5.53292 2.50885 -143.59903 809.44277
4770.0000 -148.86304 -143.46402 5.39902 2.53110 -143.25052 835.82413
4775.0000 -151.37676 -145.32731 6.04945 2.44344 -144.62371 792.42804
4780.0000 -149.92437 -143.96488 5.95949 2.48360 -143.99461 814.93130
4785.0000 -150.04542 -142.98046 7.06496 2.50127 -143.71787 803.30310
4790.0000 -149.09757 -142.38766 6.70990 2.54354 -143.05565 836.92180
4795.0000 -150.88872 -144.89732 5.99140 2.45601 -144.42683 813.77658
4800.0000 -151.48434 -145.21680 6.26754 2.43680 -144.72782 794.81352
4805.0000 -150.29773 -145.24830 5.04943 2.42279 -144.94719 782.08209
4810.0000 -150.20738 -144.77928 5.42810 2.44260 -144.63696 789.93883
4815.0000 -150.39154 -143.67985 6.71170 2.46766 -144.24435 789.51896
4820.0000 -150.00268 -144.52505 5.47763 2.44042 -144.67112 767.63329
4825.0000 -150.71762 -145.93596 4.78166 2.44037 -144.67184 796.94230
4830.0000 -151.88787 -145.48587 6.40200 2.36832 -145.80048 755.77414
4835.0000 -152.22806 -145.41803 6.81002 2.37230 -145.73815 768.54149
4840.0000 -150.50592 -145.42523 5.08068 2.40752 -145.18641 764.04057
4845.0000 -150.82167 -144.97395 5.84772 2.40842 -145.17230 756.56321
4850.0000 -151.61827 -145.13103 6.48725 2.39154 -145.43683 733.58912
4855.0000 -150.91872 -144.15085 6.76787 2.43014 -144.83211 771.41070
4860.0000 -152.30515 -145.97183 6.33333 2.38722 -145.50439 741.50771
4865.0000 -152.50884 -145.50045 7.00839 2.41532 -145.06423 764.17295
4870.0000 -150.93189 -144.99857 5.93331 2.41765 -145.02775 756.34553
4875.0000 -150.18665 -144.08797 6.09868 2.43629 -144.73579 779.97108
4880.0000 -150.24900 -144.27963 5.96937 2.49933 -143.74830 834.57111
4885.0000 -150.97483 -144.37930 6.59553 2.46509 -144.28466 751.32514
4890.0000 -151.32794 -144.87995 6.44799 2.45974 -144.36847 761.88701
4895.0000 -151.62620 -145.53047 6.09573 2.39641 -145.36051 732.08754
4900.0000 -152.18880 -145.19413 6.99467 2.38041 -145.61113 740.25688
4905.0000 -149.60647 -143.84791 5.75856 2.45743 -144.40455 786.03519
4910.0000 -151.57341 -145.91360 5.65980 2.42011 -144.98913 757.07124
4915.0000 -149.76491 -144.54825 5.21667 2.43131 -144.81374 795.28912
4920.0000 -150.77554 -145.25782 5.51773 2.45926 -144.37592 815.11229
4925.0000 -149.71266 -143.80391 5.90875 2.44942 -144.53006 749.96625
4930.0000 -149.33406 -143.39058 5.94348 2.55098 -142.93918 845.75191
4935.0000 -149.90414 -144.32187 5.58227 2.48310 -144.00245 793.39173
4940.0000 -152.11643 -146.13611 5.98031 2.37103 -145.75802 743.40350
4945.0000 -151.83585 -147.10017 4.73567 2.33902 -146.25945 731.08251
4950.0000 -152.10132 -147.14838 4.95295 2.31226 -146.67871 700.38584
4955.0000 -151.27904 -145.23856 6.04049 2.33700 -146.29116 669.07366
4960.0000 -150.02811 -143.13761 6.89050 2.43265 -144.79283 753.55488
4965.0000 -149.85662 -143.71434 6.14228 2.52559 -143.33694 842.36262
4970.0000 -150.03123 -144.03192 5.99931 2.51163 -143.55551 813.94257
4975.0000 -150.90887 -143.71256 7.19631 2.49204 -143.86237 797.51172
4980.0000 -151.18259 -145.00054 6.18204 2.43073 -144.82279 756.55468
4985.0000 -150.85293 -145.77678 5.07615 2.42116 -144.97273 755.19493
4990.0000 -151.84100 -146.82235 5.01865 2.35228 -146.05175 733.42695
4995.0000 -152.02947 -145.44427 6.58521 2.38953 -145.46828 764.47166
5000.0000 -151.66982 -145.03230 6.63751 2.42283 -144.94656 770.82817
MELTING PROCESS: loop number 21 T-loop= 815.00000000000000
main_MD> interactions number 21 at Temperature= 815.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.89617 -0.84776 -2.96024
force_rgl> df(natom) -0.97883 0.34208 0.28610
5005.0000 -150.27934 -144.39366 5.88568 2.41403 -145.08446 759.86871
5010.0000 -151.21084 -144.63738 6.57346 2.44453 -144.60660 801.80739
5015.0000 -150.89255 -145.09750 5.79506 2.44665 -144.57347 780.67804
5020.0000 -150.82227 -144.44543 6.37684 2.42407 -144.92722 746.55753
5025.0000 -148.24934 -142.00431 6.24503 2.55255 -142.91452 846.95716
5030.0000 -150.98676 -143.26019 7.72658 2.58608 -142.38936 897.78470
5035.0000 -149.72905 -143.58995 6.13910 2.51446 -143.51123 811.79739
5040.0000 -149.98678 -143.38699 6.59979 2.51710 -143.46994 847.18605
5045.0000 -149.04776 -142.25827 6.78950 2.57433 -142.57333 845.28091
5050.0000 -149.15617 -142.34597 6.81020 2.58915 -142.34120 860.72821
5055.0000 -149.42925 -144.00748 5.42177 2.59459 -142.25595 903.54551
5060.0000 -152.15902 -146.47856 5.68046 2.43106 -144.81772 783.43818
5065.0000 -151.77221 -146.17296 5.59925 2.36223 -145.89587 727.10532
5070.0000 -150.31801 -142.60095 7.71706 2.48182 -144.02258 831.03065
5075.0000 -148.63784 -142.56232 6.07552 2.57270 -142.59883 824.02432
5080.0000 -149.94011 -143.93050 6.00961 2.49965 -143.74327 810.60714
5085.0000 -149.60611 -143.38426 6.22185 2.45347 -144.46659 814.77815
5090.0000 -149.99998 -143.42733 6.57265 2.50304 -143.69012 832.11875
5095.0000 -151.22468 -143.82813 7.39655 2.51879 -143.44332 857.20497
5100.0000 -149.79861 -141.62606 8.17255 2.56181 -142.76954 846.63919
5105.0000 -148.92650 -141.61302 7.31348 2.61780 -141.89237 885.37261
5110.0000 -150.90850 -144.81086 6.09765 2.52148 -143.40132 845.39117
5115.0000 -148.95353 -142.38605 6.56748 2.49535 -143.81064 813.38991
5120.0000 -149.38187 -142.25619 7.12568 2.57554 -142.55434 864.36177
5125.0000 -148.50297 -141.83672 6.66625 2.62883 -141.71962 877.81059
5130.0000 -149.36023 -143.10746 6.25276 2.59108 -142.31103 884.67318
5135.0000 -149.59519 -143.19110 6.40410 2.55175 -142.92712 830.02612
5140.0000 -148.97429 -141.69453 7.27976 2.59851 -142.19454 862.12407
5145.0000 -150.44452 -144.22153 6.22299 2.51543 -143.49598 813.23674
5150.0000 -149.89046 -143.39545 6.49501 2.47674 -144.10209 783.78605
5155.0000 -150.69456 -143.72482 6.96974 2.52878 -143.28693 834.55970
5160.0000 -149.57136 -142.77078 6.80059 2.54269 -143.06892 869.97540
5165.0000 -149.84853 -143.33234 6.51620 2.53858 -143.13344 816.13783
5170.0000 -150.94723 -144.94401 6.00323 2.46398 -144.30204 780.49027
5175.0000 -150.74551 -144.26914 6.47638 2.45657 -144.41806 792.16336
5180.0000 -151.65872 -145.72713 5.93159 2.37604 -145.67963 735.67717
5185.0000 -148.63708 -143.69327 4.94380 2.43300 -144.78721 757.83971
5190.0000 -150.75059 -144.86725 5.88334 2.46648 -144.26278 808.63934
5195.0000 -151.98744 -145.62628 6.36116 2.38470 -145.54383 753.21057
5200.0000 -150.88304 -143.61762 7.26542 2.43915 -144.69102 788.36665
5205.0000 -150.22753 -144.30714 5.92039 2.50000 -143.73771 829.11803
5210.0000 -151.07090 -143.98607 7.08483 2.42532 -144.90762 808.53136
5215.0000 -149.87129 -142.89518 6.97611 2.49289 -143.84911 837.86881
5220.0000 -150.66387 -143.47961 7.18427 2.53263 -143.22659 830.26594
5225.0000 -150.31052 -144.46784 5.84268 2.48616 -143.95454 815.71976
5230.0000 -150.57132 -143.94469 6.62662 2.45385 -144.46061 798.97295
5235.0000 -150.59352 -143.76416 6.82936 2.46924 -144.21958 800.75236
5240.0000 -150.98137 -144.31224 6.66913 2.45345 -144.46698 791.63199
5245.0000 -150.85113 -144.36180 6.48933 2.46550 -144.27821 810.61732
5250.0000 -148.79903 -143.12901 5.67002 2.49618 -143.79755 808.62778
MELTING PROCESS: loop number 22 T-loop= 840.00000000000000
main_MD> interactions number 22 at Temperature= 840.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.35357 5.61766 -0.35397
force_rgl> df(natom) 1.69448 -2.41205 -2.22045
5255.0000 -151.88275 -144.54169 7.34106 2.53189 -143.23825 841.35306
5260.0000 -148.89527 -142.40021 6.49506 2.50873 -143.60098 829.42003
5265.0000 -150.55827 -143.90410 6.65418 2.51808 -143.45458 831.97855
5270.0000 -149.61682 -142.86844 6.74839 2.56144 -142.77528 859.03206
5275.0000 -149.25709 -142.93731 6.31978 2.49015 -143.89211 824.07148
5280.0000 -150.36984 -143.91049 6.45935 2.50008 -143.73647 817.13928
5285.0000 -151.29499 -144.79628 6.49871 2.44558 -144.59018 795.61733
5290.0000 -150.25829 -143.73428 6.52401 2.50155 -143.71340 831.07394
5295.0000 -149.86023 -142.05832 7.80191 2.60673 -142.06581 911.53295
5300.0000 -148.04960 -140.66197 7.38763 2.63734 -141.58627 901.64796
5305.0000 -149.44142 -142.43309 7.00833 2.59824 -142.19889 878.27618
5310.0000 -148.95533 -141.77824 7.17709 2.58157 -142.46000 892.64698
5315.0000 -149.36783 -142.57219 6.79564 2.58798 -142.35957 869.00760
5320.0000 -149.89096 -144.74965 5.14131 2.50075 -143.72600 818.75802
5325.0000 -150.68792 -144.18400 6.50392 2.49430 -143.82709 816.10075
5330.0000 -151.32280 -145.35053 5.97226 2.44962 -144.52698 787.60820
5335.0000 -150.73290 -144.83366 5.89924 2.40413 -145.23958 768.27765
5340.0000 -150.58010 -143.87845 6.70165 2.44908 -144.53542 791.55012
5345.0000 -149.10888 -142.16919 6.93969 2.55501 -142.87599 838.98574
5350.0000 -150.04296 -143.58956 6.45340 2.55242 -142.91665 841.53553
5355.0000 -150.48132 -144.18408 6.29724 2.49998 -143.73804 805.01273
5360.0000 -152.20576 -146.20545 6.00031 2.41920 -145.00338 768.61538
5365.0000 -150.29570 -143.34077 6.95493 2.40053 -145.29597 762.11050
5370.0000 -150.13158 -143.30335 6.82823 2.53859 -143.13329 842.75778
5375.0000 -148.65178 -141.98945 6.66233 2.54091 -143.09690 830.08827
5380.0000 -149.12712 -142.10877 7.01835 2.62746 -141.74115 907.88268
5385.0000 -150.12745 -142.70178 7.42567 2.58942 -142.33705 857.80392
5390.0000 -151.19906 -144.88342 6.31564 2.50218 -143.70356 813.14555
5395.0000 -150.83973 -145.40616 5.43357 2.40044 -145.29727 767.21657
5400.0000 -151.16617 -145.15518 6.01098 2.38253 -145.57791 748.62913
5405.0000 -151.02900 -145.42385 5.60515 2.40286 -145.25942 757.79347
5410.0000 -150.70665 -144.77753 5.92913 2.44156 -144.65319 743.41564
5415.0000 -150.28843 -144.55371 5.73472 2.41907 -145.00546 757.99367
5420.0000 -150.61127 -144.07642 6.53484 2.45683 -144.41399 765.73010
5425.0000 -148.57045 -141.93455 6.63590 2.56386 -142.73731 857.63316
5430.0000 -149.22283 -140.81453 8.40829 2.63102 -141.68533 899.93798
5435.0000 -148.51082 -140.46101 8.04982 2.62541 -141.77317 915.83486
5440.0000 -149.97265 -143.18802 6.78463 2.65334 -141.33571 961.07176
5445.0000 -148.83624 -143.27037 5.56587 2.51033 -143.57588 814.11091
5450.0000 -149.54571 -143.72546 5.82026 2.49438 -143.82581 780.81353
5455.0000 -150.52290 -144.14188 6.38103 2.52119 -143.40578 788.56825
5460.0000 -150.95921 -144.64822 6.31099 2.41552 -145.06104 769.56321
5465.0000 -151.26444 -145.66415 5.60029 2.40330 -145.25251 757.45877
5470.0000 -151.79779 -144.30900 7.48879 2.44819 -144.54941 772.86691
5475.0000 -150.76948 -144.44683 6.32265 2.49754 -143.77633 795.76098
5480.0000 -149.52350 -143.84606 5.67744 2.52457 -143.35289 859.99958
5485.0000 -149.62449 -143.40076 6.22374 2.48637 -143.95126 808.37692
5490.0000 -148.06389 -141.54957 6.51432 2.62840 -141.72629 917.20541
5495.0000 -148.72481 -141.30914 7.41567 2.64863 -141.40944 886.58504
5500.0000 -147.95141 -140.89855 7.05286 2.63625 -141.60341 891.53434
MELTING PROCESS: loop number 23 T-loop= 865.00000000000000
main_MD> interactions number 23 at Temperature= 865.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.00415 2.86385 -1.56051
force_rgl> df(natom) -1.66187 3.24431 -0.83800
5505.0000 -148.93178 -141.45243 7.47935 2.65133 -141.36724 903.03289
5510.0000 -150.24064 -143.03891 7.20172 2.59171 -142.30113 898.06511
5515.0000 -149.39013 -142.45829 6.93184 2.56854 -142.66406 873.41653
5520.0000 -147.80478 -139.88605 7.91873 2.59602 -142.23358 855.57809
5525.0000 -148.33043 -141.76779 6.56264 2.66651 -141.12938 903.55531
5530.0000 -149.67226 -142.27170 7.40056 2.58701 -142.37475 863.34701
5535.0000 -148.06751 -141.34442 6.72309 2.59117 -142.30960 892.42693
5540.0000 -149.71578 -142.14734 7.56844 2.64621 -141.44742 930.53625
5545.0000 -149.11322 -141.90200 7.21122 2.62428 -141.79089 906.64826
5550.0000 -149.45959 -142.55444 6.90515 2.57318 -142.59142 867.60758
5555.0000 -150.11094 -143.53995 6.57099 2.54804 -142.98525 848.88179
5560.0000 -151.08925 -143.12207 7.96718 2.51088 -143.56729 844.56396
5565.0000 -150.16734 -141.81840 8.34893 2.62654 -141.75556 934.11421
5570.0000 -149.48525 -140.91450 8.57075 2.64990 -141.38956 942.80146
5575.0000 -148.51567 -141.78320 6.73247 2.63456 -141.62990 909.57166
5580.0000 -149.41983 -141.78707 7.63275 2.63176 -141.67380 904.57171
5585.0000 -148.48299 -140.82683 7.65615 2.67987 -140.92004 968.25504
5590.0000 -149.02469 -139.56427 9.46042 2.73868 -139.99877 980.25701
5595.0000 -149.09668 -141.98667 7.11001 2.66248 -141.19249 951.25711
5600.0000 -149.43492 -143.18169 6.25323 2.58147 -142.46146 865.79178
5605.0000 -150.03326 -142.46076 7.57250 2.60043 -142.16458 891.34711
5610.0000 -149.12972 -143.81022 5.31950 2.55856 -142.82034 859.51208
5615.0000 -151.42213 -143.27913 8.14300 2.50369 -143.67998 819.50186
5620.0000 -149.96379 -143.30506 6.65872 2.50708 -143.62688 837.03398
5625.0000 -149.03416 -142.27854 6.75562 2.58639 -142.38451 865.91930
5630.0000 -148.14256 -140.30429 7.83827 2.61830 -141.88460 913.43677
5635.0000 -148.69577 -141.81134 6.88443 2.64127 -141.52483 928.23787
5640.0000 -148.01219 -141.31856 6.69363 2.65466 -141.31493 944.83885
5645.0000 -148.48254 -140.15790 8.32463 2.68806 -140.79182 955.56110
5650.0000 -148.62285 -140.56185 8.06100 2.72867 -140.15558 974.06543
5655.0000 -151.59045 -144.32539 7.26506 2.55295 -142.90825 843.76703
5660.0000 -151.17378 -144.86048 6.31329 2.45111 -144.50354 805.78746
5665.0000 -150.31613 -143.78890 6.52724 2.52819 -143.29618 842.97621
5670.0000 -150.53235 -143.77262 6.75973 2.48139 -144.02932 799.48822
5675.0000 -149.58193 -142.22182 7.36012 2.52530 -143.34147 847.34224
5680.0000 -149.33405 -143.24572 6.08833 2.61315 -141.96528 901.25181
5685.0000 -148.89912 -143.16054 5.73858 2.57407 -142.57747 855.73516
5690.0000 -148.51546 -140.76751 7.74795 2.63819 -141.57304 913.30133
5695.0000 -149.22672 -143.31406 5.91266 2.65854 -141.25418 908.21226
5700.0000 -149.44159 -142.18399 7.25760 2.57855 -142.50730 846.75780
5705.0000 -149.52745 -142.48308 7.04436 2.57371 -142.58311 856.89340
5710.0000 -148.18331 -140.63987 7.54344 2.63806 -141.57510 921.85059
5715.0000 -150.74690 -144.46850 6.27839 2.57696 -142.53216 867.62956
5720.0000 -150.66543 -143.17311 7.49232 2.43787 -144.71096 789.18990
5725.0000 -148.06296 -141.69751 6.36545 2.60087 -142.15761 890.11013
5730.0000 -148.15506 -142.27740 5.87766 2.54112 -143.09358 826.88272
5735.0000 -149.54637 -143.37265 6.17372 2.54643 -143.01047 848.49320
5740.0000 -149.18333 -143.42945 5.75388 2.54433 -143.04326 834.33150
5745.0000 -149.93315 -144.29815 5.63500 2.48852 -143.91756 799.01906
5750.0000 -150.60419 -144.74909 5.85510 2.47347 -144.15329 815.71625
MELTING PROCESS: loop number 24 T-loop= 890.00000000000000
main_MD> interactions number 24 at Temperature= 890.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -5.44168 2.52078 3.23849
force_rgl> df(natom) -2.63035 -1.22716 0.21890
5755.0000 -150.14949 -143.14522 7.00427 2.49913 -143.75134 813.67241
5760.0000 -149.37271 -142.48101 6.89170 2.57079 -142.62885 856.00535
5765.0000 -149.37770 -142.65224 6.72546 2.58137 -142.46313 889.77069
5770.0000 -149.51130 -142.84714 6.66417 2.52778 -143.30263 867.59490
5775.0000 -150.14846 -142.20952 7.93894 2.56352 -142.74274 878.55424
5780.0000 -148.53664 -141.22265 7.31399 2.63305 -141.65350 858.90958
5785.0000 -149.11961 -141.95804 7.16157 2.60875 -142.03416 886.21109
5790.0000 -149.76405 -142.12000 7.64405 2.62516 -141.77711 906.40679
5795.0000 -149.28534 -143.62581 5.65952 2.56827 -142.66824 865.04797
5800.0000 -149.01292 -141.69323 7.31968 2.55629 -142.85594 895.81529
5805.0000 -149.32052 -142.41188 6.90864 2.59192 -142.29787 879.99984
5810.0000 -148.81322 -142.20626 6.60696 2.57561 -142.55331 851.89663
5815.0000 -149.43500 -143.10345 6.33154 2.60508 -142.09159 901.06595
5820.0000 -149.49961 -142.72701 6.77260 2.53535 -143.18396 834.83208
5825.0000 -150.06600 -143.33389 6.73211 2.50940 -143.59055 837.31660
5830.0000 -149.60463 -143.81772 5.78691 2.54731 -142.99669 854.54089
5835.0000 -149.34013 -142.11084 7.22929 2.58788 -142.36109 875.50992
5840.0000 -150.02362 -142.87627 7.14735 2.61732 -141.89990 925.78498
5845.0000 -149.45277 -140.50962 8.94316 2.62142 -141.83575 899.44223
5850.0000 -149.69043 -142.64286 7.04757 2.61466 -141.94154 892.98312
5855.0000 -150.41912 -143.61785 6.80127 2.53528 -143.18502 866.88855
5860.0000 -148.18017 -142.59297 5.58720 2.57991 -142.48595 862.65566
5865.0000 -150.43369 -143.58116 6.85253 2.48895 -143.91086 811.71148
5870.0000 -149.92482 -142.83605 7.08877 2.56436 -142.72954 856.23094
5875.0000 -149.13196 -141.75169 7.38027 2.60444 -142.10169 899.89456
5880.0000 -149.50267 -142.34658 7.15609 2.65039 -141.38192 914.39452
5885.0000 -150.22655 -143.08926 7.13729 2.58415 -142.41951 903.27049
5890.0000 -149.81342 -142.08593 7.72748 2.56230 -142.76175 878.91154
5895.0000 -150.24981 -143.30616 6.94365 2.56332 -142.74584 858.75042
5900.0000 -148.45924 -142.15036 6.30888 2.54240 -143.07350 852.39945
5905.0000 -149.77651 -142.34471 7.43179 2.58494 -142.40719 859.77957
5910.0000 -149.76482 -142.74476 7.02006 2.61201 -141.98307 934.16224
5915.0000 -149.33343 -142.40663 6.92679 2.57082 -142.62835 893.21261
5920.0000 -147.51861 -142.38991 5.12870 2.58129 -142.46435 878.26589
5925.0000 -149.98358 -143.22511 6.75847 2.57922 -142.49674 822.82927
5930.0000 -149.46342 -143.01758 6.44585 2.52646 -143.32316 817.02016
5935.0000 -150.16480 -141.90515 8.25965 2.58636 -142.38494 880.26628
5940.0000 -148.89787 -141.46069 7.43718 2.58546 -142.39902 897.69721
5945.0000 -149.18937 -141.93035 7.25901 2.65970 -141.23607 927.19036
5950.0000 -149.88625 -143.11899 6.76726 2.58863 -142.34937 871.54066
5955.0000 -149.57101 -142.00149 7.56951 2.62655 -141.75530 886.53187
5960.0000 -149.19283 -142.67066 6.52218 2.59725 -142.21432 885.67449
5965.0000 -149.79674 -142.32565 7.47108 2.59080 -142.31538 894.61767
5970.0000 -148.85052 -143.00543 5.84510 2.55437 -142.88609 881.62048
5975.0000 -148.67493 -141.09056 7.58438 2.59785 -142.20486 868.78545
5980.0000 -148.89962 -142.86300 6.03662 2.59148 -142.30464 899.87807
5985.0000 -150.32860 -143.06221 7.26639 2.54156 -143.08667 859.43919
5990.0000 -150.01374 -143.01537 6.99837 2.54099 -143.09558 865.14362
5995.0000 -148.08775 -141.39052 6.69723 2.59229 -142.29205 876.60894
6000.0000 -147.72023 -140.62171 7.09852 2.71571 -140.35859 902.62238
MELTING PROCESS: loop number 25 T-loop= 915.00000000000000
main_MD> interactions number 25 at Temperature= 915.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.55162 0.06924 -3.55306
force_rgl> df(natom) 2.69476 2.41370 -1.55326
6005.0000 -148.91693 -142.47563 6.44130 2.60612 -142.07537 878.63459
6010.0000 -148.63993 -140.40407 8.23587 2.65897 -141.24749 927.94573
6015.0000 -148.50823 -139.74344 8.76479 2.73993 -139.97930 964.92642
6020.0000 -148.45526 -140.98831 7.46695 2.75726 -139.70775 985.67184
6025.0000 -148.43452 -141.89051 6.54401 2.63434 -141.63329 908.13845
6030.0000 -150.75405 -141.39483 9.35921 2.62510 -141.77800 929.43901
6035.0000 -148.22195 -141.36407 6.85788 2.63057 -141.69230 919.38367
6040.0000 -150.28190 -142.99909 7.28281 2.58180 -142.45629 882.01425
6045.0000 -149.88521 -142.53446 7.35076 2.57248 -142.60239 861.85434
6050.0000 -150.13626 -142.75658 7.37968 2.55172 -142.92753 851.78847
6055.0000 -148.89786 -142.47377 6.42409 2.56755 -142.67964 872.17802
6060.0000 -147.56321 -139.01774 8.54547 2.67943 -140.92692 930.15821
6065.0000 -148.09115 -140.78025 7.31091 2.72868 -140.15555 944.82877
6070.0000 -148.70080 -140.53966 8.16114 2.61352 -141.95951 927.03661
6075.0000 -148.87503 -139.98999 8.88504 2.66892 -141.09162 967.06129
6080.0000 -149.38255 -142.10840 7.27415 2.64356 -141.48880 920.97133
6085.0000 -149.96144 -143.29258 6.66886 2.54408 -143.04729 874.53689
6090.0000 -149.70246 -142.65907 7.04339 2.55829 -142.82457 872.62824
6095.0000 -148.59734 -143.37607 5.22127 2.53262 -143.22678 830.99010
6100.0000 -147.56049 -139.78220 7.77828 2.65073 -141.37662 904.75327
6105.0000 -148.85147 -141.90422 6.94725 2.70037 -140.59890 951.60962
6110.0000 -149.28681 -142.61391 6.67290 2.60729 -142.05699 903.79700
6115.0000 -149.71048 -142.96713 6.74335 2.58175 -142.45715 852.19992
6120.0000 -149.70660 -142.09195 7.61465 2.58183 -142.45585 871.55909
6125.0000 -149.27756 -141.65183 7.62572 2.64136 -141.52330 946.55094
6130.0000 -148.73153 -140.93472 7.79681 2.68664 -140.81404 955.91135
6135.0000 -147.48834 -140.55714 6.93121 2.65899 -141.24718 947.22553
6140.0000 -149.12720 -141.13474 7.99246 2.70256 -140.56458 962.79727
6145.0000 -148.97141 -141.91893 7.05248 2.65992 -141.23256 945.88359
6150.0000 -148.93481 -142.07905 6.85576 2.61559 -141.92705 916.46580
6155.0000 -148.16218 -141.18255 6.97963 2.66171 -141.20461 930.69866
6160.0000 -148.09065 -141.42073 6.66993 2.72488 -140.21508 967.20435
6165.0000 -146.82541 -139.79161 7.03380 2.64679 -141.43835 922.37297
6170.0000 -147.86247 -140.97752 6.88495 2.70691 -140.49643 929.36528
6175.0000 -147.77743 -140.09269 7.68473 2.73301 -140.08760 975.72049
6180.0000 -147.69487 -141.31886 6.37602 2.70706 -140.49420 980.80027
6185.0000 -146.27678 -140.46366 5.81313 2.68957 -140.76816 934.19380
6190.0000 -148.11878 -140.74210 7.37668 2.71680 -140.34161 966.23099
6195.0000 -147.77502 -139.82400 7.95101 2.69142 -140.73912 946.21467
6200.0000 -147.62306 -140.40090 7.22215 2.76203 -139.63312 996.86718
6205.0000 -148.24881 -141.33081 6.91801 2.63993 -141.54570 908.29737
6210.0000 -149.69542 -143.53311 6.16232 2.59645 -142.22688 882.66911
6215.0000 -149.08811 -140.89869 8.18943 2.57218 -142.60709 897.25901
6220.0000 -147.26030 -140.19678 7.06352 2.65549 -141.30198 926.89181
6225.0000 -148.68312 -140.31844 8.36468 2.73786 -140.01164 1003.91614
6230.0000 -149.17784 -141.81993 7.35791 2.74473 -139.90404 989.97274
6235.0000 -149.37963 -141.64160 7.73803 2.66086 -141.21790 918.02380
6240.0000 -147.51259 -141.45253 6.06005 2.61920 -141.87047 876.27411
6245.0000 -148.40508 -140.28470 8.12038 2.66423 -141.16513 919.54850
6250.0000 -149.48970 -143.47464 6.01506 2.63895 -141.56107 884.44138
MELTING PROCESS: loop number 26 T-loop= 940.00000000000000
main_MD> interactions number 26 at Temperature= 940.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.26406 -0.48043 -1.09211
force_rgl> df(natom) -0.67084 1.47976 -1.40284
6255.0000 -150.16731 -143.55364 6.61367 2.51286 -143.53621 838.57907
6260.0000 -147.90715 -141.32870 6.57845 2.59476 -142.25335 871.40554
6265.0000 -148.41332 -142.09177 6.32155 2.65210 -141.35517 930.83748
6270.0000 -148.38807 -141.09639 7.29167 2.66712 -141.11985 925.48490
6275.0000 -148.57483 -139.83346 8.74137 2.68502 -140.83940 956.46530
6280.0000 -147.11867 -138.54778 8.57089 2.79701 -139.08507 998.03436
6285.0000 -148.76842 -141.19427 7.57415 2.72002 -140.29115 965.63931
6290.0000 -148.15288 -140.59229 7.56059 2.68624 -140.82023 959.77935
6295.0000 -147.92089 -141.51698 6.40391 2.70488 -140.52833 974.20908
6300.0000 -148.03180 -141.85945 6.17234 2.57958 -142.49115 849.01717
6305.0000 -148.85480 -142.93230 5.92250 2.57842 -142.50935 863.85291
6310.0000 -149.41402 -141.53893 7.87510 2.62512 -141.77771 911.56287
6315.0000 -150.36552 -143.40633 6.95919 2.57521 -142.55965 867.82324
6320.0000 -148.14301 -140.28497 7.85804 2.61108 -141.99763 904.05376
6325.0000 -149.72878 -142.35249 7.37629 2.66909 -141.08899 932.94739
6330.0000 -149.46475 -140.98279 8.48197 2.66350 -141.17647 930.01323
6335.0000 -149.86279 -142.40199 7.46080 2.63109 -141.68425 943.31279
6340.0000 -149.74867 -142.54343 7.20524 2.60792 -142.04715 876.85600
6345.0000 -149.37004 -142.11177 7.25827 2.59487 -142.25157 904.46786
6350.0000 -147.82496 -141.08895 6.73601 2.61729 -141.90036 918.85285
6355.0000 -148.48226 -141.08036 7.40190 2.73259 -140.09424 986.80091
6360.0000 -149.54209 -141.86143 7.68066 2.63725 -141.58770 931.22871
6365.0000 -149.41095 -140.88330 8.52765 2.62615 -141.76157 899.36594
6370.0000 -147.12556 -138.12015 9.00541 2.79255 -139.15492 1025.32435
6375.0000 -148.70957 -141.31136 7.39821 2.74733 -139.86335 988.47922
6380.0000 -150.13308 -142.46670 7.66638 2.54877 -142.97381 848.48916
6385.0000 -150.77341 -144.20487 6.56854 2.53639 -143.16771 863.87670
6390.0000 -149.59362 -141.82261 7.77101 2.52181 -143.39606 865.02647
6395.0000 -152.35946 -145.11072 7.24875 2.53562 -143.17971 872.65447
6400.0000 -150.76318 -144.12554 6.63763 2.50146 -143.71485 839.44920
6405.0000 -149.30163 -142.58149 6.72015 2.56139 -142.77610 866.42055
6410.0000 -151.17142 -143.83674 7.33469 2.58567 -142.39572 892.82680
6415.0000 -149.71277 -141.19834 8.51442 2.57473 -142.56714 875.61338
6420.0000 -148.68103 -141.50436 7.17668 2.68412 -140.85345 957.82754
6425.0000 -148.23867 -140.15191 8.08676 2.65928 -141.24261 929.10582
6430.0000 -147.31860 -139.84589 7.47271 2.72383 -140.23152 935.21048
6435.0000 -148.39962 -140.51372 7.88590 2.72099 -140.27590 969.61029
6440.0000 -148.41017 -140.52939 7.88078 2.66836 -141.10032 936.48559
6445.0000 -149.45144 -140.96479 8.48665 2.73715 -140.02279 971.15697
6450.0000 -149.02536 -141.42436 7.60100 2.62236 -141.82098 920.32435
6455.0000 -148.47226 -140.90626 7.56600 2.65128 -141.36794 930.68334
6460.0000 -148.79120 -141.18731 7.60389 2.65895 -141.24786 942.25203
6465.0000 -148.24837 -141.28680 6.96157 2.68266 -140.87644 931.07460
6470.0000 -148.41023 -141.34782 7.06241 2.69338 -140.70851 940.08715
6475.0000 -149.50774 -142.69657 6.81117 2.62038 -141.85206 892.29728
6480.0000 -151.22407 -145.10214 6.12193 2.49752 -143.77654 796.45892
6485.0000 -150.53749 -142.59910 7.93838 2.48399 -143.98847 793.77047
6490.0000 -149.50114 -141.27819 8.22295 2.65462 -141.31559 960.16762
6495.0000 -149.40936 -141.37726 8.03209 2.71267 -140.40631 984.90671
6500.0000 -147.92164 -139.71975 8.20190 2.71063 -140.43824 948.56487
MELTING PROCESS: loop number 27 T-loop= 965.00000000000000
main_MD> interactions number 27 at Temperature= 965.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.99241 -4.19866 1.98957
force_rgl> df(natom) 0.72697 -0.36578 2.28294
6505.0000 -149.68612 -142.32233 7.36379 2.69094 -140.74663 958.80474
6510.0000 -148.51257 -140.84118 7.67139 2.67120 -141.05587 958.20135
6515.0000 -148.41500 -139.12688 9.28812 2.78135 -139.33048 1055.31636
6520.0000 -148.63260 -139.59511 9.03749 2.78422 -139.28548 1008.19969
6525.0000 -147.42656 -141.23219 6.19438 2.68909 -140.77566 957.12783
6530.0000 -148.20364 -141.73986 6.46378 2.61862 -141.87951 882.12515
6535.0000 -147.52723 -139.68089 7.84634 2.71575 -140.35796 945.42380
6540.0000 -148.66832 -141.70190 6.96642 2.65642 -141.28743 956.77418
6545.0000 -149.43295 -141.22338 8.20957 2.66297 -141.18484 928.40062
6550.0000 -147.75398 -140.32506 7.42892 2.67998 -140.91835 963.94661
6555.0000 -148.23276 -140.40871 7.82405 2.70743 -140.48835 966.29972
6560.0000 -149.03611 -140.12522 8.91088 2.68781 -140.79573 951.29451
6565.0000 -148.87930 -141.51062 7.36869 2.68646 -140.81690 910.22858
6570.0000 -147.05795 -140.45396 6.60399 2.67935 -140.92816 909.42610
6575.0000 -147.28334 -139.39924 7.88411 2.76698 -139.55552 966.84652
6580.0000 -148.42624 -141.43278 6.99346 2.67542 -140.98975 924.18520
6585.0000 -147.97782 -140.60000 7.37782 2.64202 -141.51301 899.01815
6590.0000 -148.11800 -140.63960 7.47839 2.67718 -140.96226 955.40222
6595.0000 -147.78257 -140.82262 6.95995 2.68020 -140.91498 938.11261
6600.0000 -148.17406 -141.19159 6.98248 2.70661 -140.50122 974.30737
6605.0000 -148.69509 -141.30966 7.38543 2.68887 -140.77915 961.66708
6610.0000 -147.02409 -139.18478 7.83932 2.74355 -139.92259 981.87957
6615.0000 -149.35859 -142.02523 7.33336 2.64666 -141.44029 917.10437
6620.0000 -148.92992 -140.40534 8.52457 2.66563 -141.14310 941.30891
6625.0000 -148.09544 -141.22489 6.87055 2.69329 -140.70993 975.21691
6630.0000 -149.37429 -142.00749 7.36680 2.60354 -142.11582 937.89658
6635.0000 -148.87643 -140.38631 8.49013 2.62638 -141.75794 938.32401
6640.0000 -149.02953 -141.47012 7.55941 2.70730 -140.49032 960.42946
6645.0000 -148.00362 -139.68908 8.31454 2.77358 -139.45215 1008.96228
6650.0000 -147.01321 -139.22916 7.78405 2.81469 -138.80822 1051.58519
6655.0000 -146.78364 -139.33074 7.45290 2.80128 -139.01823 1047.95062
6660.0000 -146.93917 -138.60192 8.33725 2.72220 -140.25705 966.28846
6665.0000 -146.26212 -138.14458 8.11754 2.83240 -138.53080 1029.88871
6670.0000 -147.62396 -139.84755 7.77640 2.80787 -138.91493 1017.54882
6675.0000 -147.33517 -139.97984 7.35533 2.82001 -138.72474 1042.01663
6680.0000 -148.25007 -140.10096 8.14911 2.70949 -140.45607 964.26877
6685.0000 -149.76104 -142.13520 7.62584 2.70239 -140.56729 970.95406
6690.0000 -149.39644 -142.50749 6.88894 2.59996 -142.17183 887.38300
6695.0000 -148.64533 -140.80745 7.83788 2.58681 -142.37780 880.88458
6700.0000 -148.28368 -140.83730 7.44638 2.69737 -140.64592 965.30092
6705.0000 -146.79152 -138.77089 8.02062 2.76125 -139.64526 974.70444
6710.0000 -147.51358 -139.34856 8.16502 2.77820 -139.37979 1012.65663
6715.0000 -147.55677 -140.73432 6.82245 2.73797 -140.00989 966.94861
6720.0000 -147.19207 -140.38521 6.80686 2.75121 -139.80251 948.43365
6725.0000 -148.22294 -141.53143 6.69151 2.70974 -140.45220 949.23114
6730.0000 -147.39760 -140.60091 6.79670 2.69139 -140.73964 920.72450
6735.0000 -148.01791 -139.54730 8.47061 2.73953 -139.98546 1014.51360
6740.0000 -147.69579 -139.28205 8.41374 2.76385 -139.60458 976.30285
6745.0000 -149.73529 -142.24063 7.49466 2.70507 -140.52531 943.52478
6750.0000 -147.91835 -140.30399 7.61436 2.62198 -141.82686 902.77723
MELTING PROCESS: loop number 28 T-loop= 990.00000000000000
main_MD> interactions number 28 at Temperature= 990.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.63864 -0.95624 -6.25296
force_rgl> df(natom) 4.20257 -2.51392 -1.69638
6755.0000 -148.33822 -141.60101 6.73721 2.67109 -141.05769 944.14189
6760.0000 -147.35276 -139.97343 7.37933 2.64418 -141.47913 928.86788
6765.0000 -149.07042 -141.56387 7.50654 2.67337 -141.02199 955.02824
6770.0000 -148.06715 -140.45292 7.61422 2.63358 -141.64516 913.92464
6775.0000 -149.48008 -141.75399 7.72609 2.76369 -139.60702 1010.01631
6780.0000 -148.68837 -140.78618 7.90219 2.67012 -141.07279 973.13574
6785.0000 -146.83070 -139.13999 7.69071 2.72633 -140.19227 946.35274
6790.0000 -147.83460 -139.15517 8.67943 2.74896 -139.83773 982.05648
6795.0000 -144.66296 -137.08464 7.57832 2.82523 -138.64298 1004.50612
6800.0000 -145.69743 -135.44638 10.25106 2.95309 -136.64015 1106.03179
6805.0000 -147.73531 -140.39377 7.34154 2.87437 -137.87323 1039.88914
6810.0000 -147.31538 -139.84037 7.47501 2.70044 -140.59786 967.89522
6815.0000 -146.61508 -137.91401 8.70107 2.84142 -138.38945 1070.60161
6820.0000 -149.34187 -140.77085 8.57102 2.78857 -139.21727 1023.03598
6825.0000 -148.53825 -140.38203 8.15622 2.70629 -140.50619 950.03830
6830.0000 -147.92702 -140.88816 7.03886 2.75607 -139.72650 972.19690
6835.0000 -148.17255 -139.67265 8.49990 2.69624 -140.66359 933.47191
6840.0000 -148.45441 -140.51012 7.94429 2.72422 -140.22529 998.97545
6845.0000 -148.78381 -141.86001 6.92380 2.70652 -140.50269 975.48414
6850.0000 -149.06596 -141.28720 7.77876 2.65934 -141.24168 917.72125
6855.0000 -146.61673 -139.51668 7.10005 2.69419 -140.69583 957.90810
6860.0000 -147.82820 -139.03130 8.79689 2.76779 -139.54282 1010.68307
6865.0000 -146.99031 -137.66981 9.32050 2.85721 -138.14205 1065.51567
6870.0000 -148.89759 -141.17544 7.72215 2.72335 -140.23901 985.64539
6875.0000 -146.88403 -138.50530 8.37873 2.79172 -139.16800 996.48601
6880.0000 -145.57442 -137.37771 8.19671 2.89636 -137.52877 1095.71000
6885.0000 -147.55840 -139.40091 8.15749 2.79779 -139.07283 1001.73229
6890.0000 -148.70127 -140.02844 8.67283 2.82693 -138.61634 1062.25176
6895.0000 -147.73414 -138.96816 8.76597 2.74374 -139.91960 984.57818
6900.0000 -147.65129 -140.32665 7.32464 2.75980 -139.66806 1000.65395
6905.0000 -146.10800 -139.04467 7.06333 2.74193 -139.94785 939.48658
6910.0000 -147.32417 -137.06219 10.26198 2.83412 -138.50375 1027.98092
6915.0000 -145.99105 -138.50136 7.48969 2.90829 -137.34189 1114.47602
6920.0000 -147.32839 -137.55907 9.76932 2.87365 -137.88457 1089.29377
6925.0000 -148.58883 -138.53590 10.05293 2.84912 -138.26884 1067.96746
6930.0000 -148.42678 -140.44315 7.98363 2.80388 -138.97748 1033.70562
6935.0000 -148.28187 -141.27944 7.00243 2.70999 -140.44824 971.03719
6940.0000 -148.00786 -141.20286 6.80500 2.68749 -140.80077 925.14570
6945.0000 -150.09799 -143.62768 6.47031 2.57590 -142.54880 859.79618
6950.0000 -150.48686 -141.45965 9.02721 2.52150 -143.40094 845.29356
6955.0000 -147.97189 -139.85238 8.11951 2.70985 -140.45042 985.32036
6960.0000 -147.08215 -138.63884 8.44331 2.77529 -139.42535 993.75744
6965.0000 -147.25996 -139.61008 7.64987 2.79999 -139.03842 1026.94524
6970.0000 -149.25930 -140.88746 8.37184 2.69768 -140.64106 974.03642
6975.0000 -149.05692 -142.88884 6.16808 2.63848 -141.56849 916.18927
6980.0000 -147.36189 -139.51154 7.85035 2.67167 -141.04848 929.03526
6985.0000 -146.61331 -140.04865 6.56467 2.71692 -140.33974 943.35236
6990.0000 -147.10226 -139.72755 7.37471 2.79632 -139.09598 1007.36846
6995.0000 -146.93603 -139.69545 7.24059 2.70668 -140.50013 948.32012
7000.0000 -145.57870 -137.18794 8.39076 2.82462 -138.65264 1038.64374
MELTING PROCESS: loop number 29 T-loop= 1015.0000000000000
main_MD> interactions number 29 at Temperature= 1015.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.62842 -4.15693 -1.95451
force_rgl> df(natom) -1.11516 -3.13956 -3.31932
7005.0000 -148.79376 -139.47947 9.31428 2.86648 -137.99683 1055.05740
7010.0000 -145.81577 -137.14961 8.66616 2.86757 -137.97980 1092.14540
7015.0000 -148.56764 -139.21957 9.34807 2.82717 -138.61268 1033.70068
7020.0000 -148.08186 -140.50139 7.58046 2.76804 -139.53887 984.85136
7025.0000 -145.41333 -136.65544 8.75789 2.83256 -138.52829 1034.16573
7030.0000 -145.99885 -137.20454 8.79432 2.96276 -136.48858 1129.00910
7035.0000 -147.32312 -139.24162 8.08149 2.77792 -139.38408 1044.12423
7040.0000 -148.83733 -140.48939 8.34794 2.71104 -140.43186 977.66679
7045.0000 -147.49567 -138.92169 8.57398 2.81135 -138.86049 1043.45256
7050.0000 -149.45367 -141.16224 8.29143 2.73604 -140.04017 989.81715
7055.0000 -146.07863 -138.55140 7.52723 2.74436 -139.90990 1007.43450
7060.0000 -147.15362 -138.52953 8.62410 2.78348 -139.29711 1003.54181
7065.0000 -147.54626 -140.14448 7.40178 2.72580 -140.20062 968.17699
7070.0000 -146.88390 -138.69697 8.18694 2.82907 -138.58285 1071.54083
7075.0000 -147.70737 -139.55696 8.15041 2.79958 -139.04490 1051.98309
7080.0000 -147.45392 -139.51541 7.93851 2.75637 -139.72168 992.82911
7085.0000 -146.39108 -139.74816 6.64292 2.83205 -138.53615 1044.60766
7090.0000 -147.83022 -138.55462 9.27560 2.77487 -139.43198 966.95918
7095.0000 -148.05138 -140.19474 7.85664 2.82352 -138.66989 1040.37338
7100.0000 -150.40039 -141.72485 8.67554 2.67552 -140.98819 912.29051
7105.0000 -147.15457 -138.65154 8.50302 2.75584 -139.73006 1001.20251
7110.0000 -148.05791 -139.18748 8.87043 2.84342 -138.35805 1046.68973
7115.0000 -146.57808 -138.78760 7.79048 2.80582 -138.94711 1036.54977
7120.0000 -147.75357 -139.08113 8.67244 2.76883 -139.52648 1001.76661
7125.0000 -146.65308 -137.71229 8.94080 2.80733 -138.92340 1044.95479
7130.0000 -146.30505 -138.04478 8.26027 2.85927 -138.10975 1093.18443
7135.0000 -147.40064 -138.73913 8.66150 2.74551 -139.89189 969.13528
7140.0000 -148.38415 -139.99941 8.38474 2.79237 -139.15785 1006.37611
7145.0000 -146.24208 -137.39747 8.84461 2.85239 -138.21759 1075.60457
7150.0000 -145.97226 -137.63659 8.33567 2.86743 -137.98191 1084.62218
7155.0000 -148.67931 -139.96614 8.71317 2.81006 -138.88070 1030.69923
7160.0000 -147.06759 -137.82314 9.24445 2.74942 -139.83060 975.87167
7165.0000 -148.19664 -139.66318 8.53345 2.84850 -138.27848 1099.94600
7170.0000 -148.37745 -141.20832 7.16913 2.71458 -140.37641 1002.19173
7175.0000 -147.96617 -140.40180 7.56437 2.76810 -139.53801 1025.01069
7180.0000 -147.12836 -139.97246 7.15590 2.78165 -139.32565 997.53510
7185.0000 -149.14443 -141.29895 7.84548 2.69678 -140.65526 928.85398
7190.0000 -147.75732 -140.04375 7.71357 2.68676 -140.81212 953.91122
7195.0000 -145.26229 -137.07637 8.18592 2.89058 -137.61938 1082.86459
7200.0000 -147.35383 -138.69717 8.65666 2.93191 -136.97191 1147.16062
7205.0000 -147.66577 -139.28864 8.37712 2.82208 -138.69242 1039.04384
7210.0000 -147.73607 -140.82176 6.91431 2.73799 -140.00970 1005.22824
7215.0000 -148.78994 -142.81571 5.97423 2.64132 -141.52400 920.64501
7220.0000 -147.60563 -140.28337 7.32226 2.66772 -141.11049 928.14229
7225.0000 -149.79116 -140.40159 9.38958 2.74130 -139.95774 1024.78755
7230.0000 -146.32077 -136.92768 9.39309 2.83538 -138.48401 1082.04883
7235.0000 -146.24250 -136.51818 9.72433 2.88531 -137.70183 1074.46402
7240.0000 -148.14789 -138.52786 9.62004 2.90916 -137.32821 1089.14351
7245.0000 -147.08336 -139.71321 7.37015 2.83039 -138.56224 1018.79996
7250.0000 -146.56933 -137.36928 9.20005 2.79043 -139.18819 1000.25139
MELTING PROCESS: loop number 30 T-loop= 1040.0000000000000
main_MD> interactions number 30 at Temperature= 1040.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.58069 0.12283 4.00548
force_rgl> df(natom) 4.56077 3.92249 -1.99675
7255.0000 -146.29367 -138.13610 8.15757 2.96737 -136.41649 1143.19485
7260.0000 -147.14504 -138.24947 8.89556 2.90126 -137.45206 1055.17937
7265.0000 -145.75307 -137.78991 7.96315 2.81853 -138.74803 1043.00076
7270.0000 -146.84683 -138.94284 7.90399 2.88840 -137.65344 1099.37716
7275.0000 -145.65488 -137.07420 8.58068 2.86405 -138.03494 1047.42225
7280.0000 -146.41025 -138.07821 8.33203 2.91315 -137.26578 1101.50213
7285.0000 -147.53136 -137.56678 9.96458 2.87493 -137.86443 1095.54113
7290.0000 -146.71136 -138.31754 8.39382 2.85616 -138.15850 1044.79631
7295.0000 -146.25039 -138.82565 7.42474 2.83635 -138.46886 1037.96363
7300.0000 -147.54230 -139.97072 7.57158 2.76895 -139.52467 1001.04858
7305.0000 -145.51025 -138.63115 6.87910 2.74666 -139.87375 984.58282
7310.0000 -146.83712 -138.85823 7.97889 2.77634 -139.40887 999.74976
7315.0000 -146.01556 -137.79996 8.21560 2.80588 -138.94620 1048.87928
7320.0000 -145.44830 -135.68345 9.76485 2.95094 -136.67373 1129.94525
7325.0000 -143.44998 -135.16904 8.28095 3.04084 -135.26547 1195.52662
7330.0000 -148.10919 -138.81823 9.29096 2.91019 -137.31207 1132.54567
7335.0000 -145.83973 -136.89785 8.94188 2.88739 -137.66933 1102.99218
7340.0000 -144.97029 -136.65968 8.31062 2.91051 -137.30706 1104.03431
7345.0000 -147.62854 -140.59923 7.02931 2.82802 -138.59927 1054.07840
7350.0000 -144.96726 -137.92775 7.03951 2.75422 -139.75542 999.73142
7355.0000 -146.24578 -137.98955 8.25623 2.87403 -137.87860 1077.15105
7360.0000 -145.92477 -135.71866 10.20611 2.92138 -137.13689 1117.41219
7365.0000 -146.09577 -137.64736 8.44841 2.83390 -138.50716 1047.85321
7370.0000 -147.86626 -141.10842 6.75784 2.78731 -139.23705 1029.63861
7375.0000 -148.88481 -140.69290 8.19191 2.70609 -140.50930 961.15253
7380.0000 -146.78723 -139.13635 7.65088 2.70858 -140.47035 989.47976
7385.0000 -147.39939 -139.93220 7.46719 2.73788 -140.01137 945.70048
7390.0000 -146.17788 -137.99553 8.18235 2.78239 -139.31411 969.64955
7395.0000 -148.11030 -140.90111 7.20919 2.75793 -139.69723 997.23336
7400.0000 -146.91935 -138.42745 8.49189 2.78673 -139.24607 980.05723
7405.0000 -145.83013 -137.68757 8.14257 2.88479 -137.71004 1085.53464
7410.0000 -148.10459 -141.14125 6.96334 2.75422 -139.75535 993.90424
7415.0000 -148.45575 -140.87019 7.58556 2.66641 -141.13088 985.87472
7420.0000 -149.17947 -142.38633 6.79314 2.64546 -141.45919 914.45064
7425.0000 -148.34330 -138.97973 9.36357 2.71093 -140.43359 956.16426
7430.0000 -147.06746 -139.34688 7.72058 2.80471 -138.96442 1042.57930
7435.0000 -148.13207 -139.47143 8.66063 2.81777 -138.75990 1025.30979
7440.0000 -147.46716 -139.40053 8.06663 2.74254 -139.93838 982.14071
7445.0000 -148.66317 -140.08245 8.58072 2.69726 -140.64760 959.29834
7450.0000 -146.60030 -137.49414 9.10616 2.79833 -139.06443 1028.40656
7455.0000 -146.51328 -137.81520 8.69808 2.87944 -137.79392 1079.22066
7460.0000 -146.36935 -139.07987 7.28949 2.79432 -139.12718 994.68388
7465.0000 -147.42402 -139.04500 8.37902 2.76418 -139.59933 994.75308
7470.0000 -147.59943 -138.25917 9.34026 2.86106 -138.08178 1112.69211
7475.0000 -147.44095 -139.31292 8.12803 2.81527 -138.79901 1064.39575
7480.0000 -148.84234 -140.88095 7.96139 2.74778 -139.85625 971.54868
7485.0000 -148.39101 -139.93530 8.45571 2.74740 -139.86217 934.49138
7490.0000 -149.30860 -140.51952 8.78908 2.66900 -141.09041 953.92738
7495.0000 -148.24898 -139.98959 8.25939 2.72822 -140.16265 1016.17212
7500.0000 -149.23715 -141.42148 7.81568 2.72504 -140.21247 968.75136
MELTING PROCESS: loop number 31 T-loop= 1065.0000000000000
main_MD> interactions number 31 at Temperature= 1065.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.31049 0.50088 3.11082
force_rgl> df(natom) -2.45349 -5.52217 0.59755
7505.0000 -148.68914 -140.88844 7.80070 2.70803 -140.47900 1007.82662
7510.0000 -147.22705 -138.42506 8.80199 2.78502 -139.27299 1011.60920
7515.0000 -145.10097 -136.18205 8.91893 2.91429 -137.24795 1088.38897
7520.0000 -145.94868 -137.97881 7.96987 2.91179 -137.28704 1127.06330
7525.0000 -147.91145 -139.21884 8.69261 2.79225 -139.15966 1053.05098
7530.0000 -146.03424 -137.84049 8.19375 2.79240 -139.15727 1012.44843
7535.0000 -144.78482 -137.55819 7.22664 2.89353 -137.57312 1087.53134
7540.0000 -145.96175 -137.72149 8.24026 2.86684 -137.99130 1073.91562
7545.0000 -146.20288 -137.56884 8.63405 2.89087 -137.61482 1060.22435
7550.0000 -147.39085 -139.25638 8.13447 2.91326 -137.26400 1075.42120
7555.0000 -146.51780 -137.31707 9.20074 2.88192 -137.75497 1088.50203
7560.0000 -145.41330 -138.63178 6.78152 2.87241 -137.90393 1079.88864
7565.0000 -148.60692 -140.74800 7.85892 2.76005 -139.66414 1016.79083
7570.0000 -149.01402 -142.20948 6.80455 2.63364 -141.64430 886.36618
7575.0000 -148.51220 -140.77151 7.74070 2.60788 -142.04783 894.14703
7580.0000 -147.70729 -140.06974 7.63755 2.69716 -140.64929 948.90624
7585.0000 -148.04333 -139.46579 8.57754 2.79745 -139.07819 1040.18055
7590.0000 -146.94492 -139.88949 7.05543 2.76997 -139.50870 1035.12568
7595.0000 -146.09364 -136.21489 9.87875 2.83822 -138.43962 1062.99655
7600.0000 -147.83425 -139.82861 8.00565 2.87518 -137.86065 1067.48334
7605.0000 -146.73142 -136.90884 9.82257 2.82969 -138.57315 1057.69940
7610.0000 -147.96857 -138.27840 9.69018 2.86541 -138.01365 1068.66356
7615.0000 -148.16957 -139.90752 8.26205 2.82194 -138.69462 1057.62064
7620.0000 -147.96867 -139.61653 8.35214 2.71986 -140.29369 976.75752
7625.0000 -148.37962 -139.30173 9.07790 2.83313 -138.51922 1085.65988
7630.0000 -148.44144 -140.55288 7.88856 2.77147 -139.48519 990.25556
7635.0000 -146.95582 -138.13043 8.82540 2.77620 -139.41109 1033.46233
7640.0000 -145.62754 -137.77216 7.85538 2.87842 -137.80987 1076.06823
7645.0000 -145.57499 -136.55249 9.02250 2.94439 -136.77638 1122.95903
7650.0000 -147.52000 -138.96243 8.55756 2.88959 -137.63482 1056.48010
7655.0000 -148.92182 -139.88307 9.03875 2.80270 -138.99591 1030.01137
7660.0000 -146.12164 -138.54413 7.57751 2.81062 -138.87193 1085.99512
7665.0000 -146.03020 -137.52515 8.50505 2.89874 -137.49145 1103.78223
7670.0000 -146.25553 -137.40319 8.85235 2.84453 -138.34065 1039.16615
7675.0000 -146.49426 -138.44192 8.05234 2.86764 -137.97874 1056.70983
7680.0000 -148.89826 -139.66925 9.22901 2.73387 -140.07424 969.26625
7685.0000 -148.11154 -140.59750 7.51404 2.76366 -139.60753 1014.10776
7690.0000 -148.34100 -140.27964 8.06135 2.74102 -139.96222 981.84752
7695.0000 -149.90715 -143.31807 6.58908 2.60770 -142.05059 906.92504
7700.0000 -149.23027 -141.71315 7.51712 2.55862 -142.81946 876.45840
7705.0000 -149.76904 -142.23893 7.53011 2.63514 -141.62076 910.95625
7710.0000 -146.79956 -138.54688 8.25269 2.66051 -141.22331 932.24210
7715.0000 -146.78939 -139.21724 7.57215 2.78026 -139.34751 1002.13023
7720.0000 -147.24940 -137.82708 9.42231 2.81910 -138.73908 1017.19060
7725.0000 -147.16076 -139.40246 7.75830 2.79300 -139.14794 1019.75554
7730.0000 -146.90220 -138.07097 8.83124 2.92273 -137.11569 1126.59973
7735.0000 -146.87280 -139.00284 7.86996 2.85834 -138.12438 1068.62719
7740.0000 -146.31981 -138.49072 7.82909 2.82598 -138.63135 1012.80009
7745.0000 -146.25006 -138.01257 8.23749 2.77192 -139.47810 1037.11940
7750.0000 -147.18258 -137.91027 9.27231 2.86524 -138.01623 1029.79718
MELTING PROCESS: loop number 32 T-loop= 1090.0000000000000
main_MD> interactions number 32 at Temperature= 1090.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.61304 -0.78055 1.85511
force_rgl> df(natom) -2.38367 -0.32279 -0.83209
7755.0000 -148.76986 -138.34808 10.42178 2.83961 -138.41781 1068.07684
7760.0000 -148.15639 -140.52300 7.63339 2.79898 -139.05426 1033.56532
7765.0000 -146.69485 -138.98818 7.70666 2.75218 -139.78738 968.98269
7770.0000 -145.83840 -137.16457 8.67382 2.83385 -138.50799 1029.89893
7775.0000 -148.01208 -138.81498 9.19710 2.85100 -138.23939 1093.03143
7780.0000 -146.67632 -137.23791 9.43842 2.85893 -138.11520 1085.79922
7785.0000 -145.07129 -136.67006 8.40123 2.91172 -137.28824 1133.99696
7790.0000 -146.79869 -138.43860 8.36009 2.92021 -137.15520 1088.60149
7795.0000 -146.91084 -138.33698 8.57387 2.83604 -138.47374 1014.04662
7800.0000 -145.85085 -136.57768 9.27316 2.94897 -136.70472 1096.58180
7805.0000 -145.68675 -137.68749 7.99927 2.92481 -137.08317 1108.54844
7810.0000 -146.91784 -138.25600 8.66183 2.86265 -138.05679 1112.85021
7815.0000 -145.28490 -136.04059 9.24431 2.87927 -137.79656 1089.18639
7820.0000 -143.34106 -134.03909 9.30197 3.05557 -135.03471 1239.16093
7825.0000 -144.76104 -135.77434 8.98670 3.03133 -135.41450 1159.30152
7830.0000 -142.48757 -134.98971 7.49786 3.06998 -134.80906 1172.63758
7835.0000 -144.83083 -135.13650 9.69433 3.00801 -135.77977 1183.02497
7840.0000 -144.57442 -136.20169 8.37274 2.98274 -136.17571 1117.88752
7845.0000 -147.43822 -138.68064 8.75757 2.90396 -137.40982 1113.56128
7850.0000 -146.80730 -138.17582 8.63148 2.86929 -137.95282 1074.75328
7855.0000 -147.11018 -138.87061 8.23957 2.81642 -138.78109 1042.72109
7860.0000 -147.52676 -138.71642 8.81035 2.84838 -138.28043 1094.88446
7865.0000 -146.98039 -137.23801 9.74238 2.83123 -138.54910 1087.05221
7870.0000 -146.45750 -137.09706 9.36045 2.94458 -136.77349 1159.57905
7875.0000 -146.93923 -138.45371 8.48552 2.87306 -137.89374 1059.43223
7880.0000 -146.89268 -138.31797 8.57472 2.82705 -138.61455 1031.58745
7885.0000 -146.92841 -138.13757 8.79083 2.82861 -138.59005 1042.92434
7890.0000 -146.47857 -136.70868 9.76989 2.88884 -137.64658 1108.11887
7895.0000 -146.86804 -135.99114 10.87690 2.92913 -137.01538 1108.08094
7900.0000 -143.68597 -134.47109 9.21488 3.04163 -135.25322 1166.99200
7905.0000 -144.14005 -134.37028 9.76977 3.13530 -133.78586 1291.54688
7910.0000 -147.68964 -138.45305 9.23659 2.96059 -136.52257 1148.80346
7915.0000 -145.46847 -138.08152 7.38695 2.80404 -138.97491 1000.97049
7920.0000 -145.49525 -138.24632 7.24893 2.85818 -138.12688 1042.46720
7925.0000 -146.73155 -138.39371 8.33784 2.89688 -137.52062 1057.34536
7930.0000 -147.99331 -137.60508 10.38823 2.86233 -138.06181 1069.48096
7935.0000 -145.23151 -136.43192 8.79959 2.94861 -136.71024 1117.13566
7940.0000 -143.29677 -135.09217 8.20460 2.94894 -136.70517 1127.41499
7945.0000 -146.10371 -136.36251 9.74120 2.99923 -135.91733 1127.36912
7950.0000 -146.95840 -137.30438 9.65402 2.91468 -137.24181 1120.03546
7955.0000 -147.93748 -139.56045 8.37703 2.82230 -138.68895 1050.17782
7960.0000 -146.09477 -137.00228 9.09248 2.88653 -137.68274 1099.89125
7965.0000 -147.55280 -137.99468 9.55812 2.89776 -137.50683 1066.62556
7970.0000 -148.52085 -138.52689 9.99396 2.86271 -138.05598 1093.89148
7975.0000 -146.05542 -137.54245 8.51297 2.87533 -137.85829 1090.02114
7980.0000 -144.83361 -136.76605 8.06756 2.85153 -138.23099 1065.98517
7985.0000 -147.21057 -136.23014 10.98043 2.94155 -136.82094 1141.44929
7990.0000 -145.43364 -138.34808 7.08556 2.95199 -136.65732 1140.83190
7995.0000 -145.26878 -136.99614 8.27265 2.92495 -137.08101 1092.70045
8000.0000 -146.86175 -136.54185 10.31990 2.95373 -136.63012 1141.85195
MELTING PROCESS: loop number 33 T-loop= 1115.0000000000000
main_MD> interactions number 33 at Temperature= 1115.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.23285 1.97816 2.21365
force_rgl> df(natom) -0.89202 2.69270 0.24424
8005.0000 -144.91847 -136.62469 8.29378 2.98500 -136.14031 1138.03146
8010.0000 -146.42829 -136.92551 9.50278 2.92144 -137.13591 1095.71091
8015.0000 -145.29422 -136.68181 8.61241 2.95701 -136.57876 1116.25958
8020.0000 -145.35431 -137.00075 8.35356 2.91972 -137.16285 1110.91936
8025.0000 -143.93305 -136.28741 7.64563 2.96299 -136.48511 1106.66656
8030.0000 -144.06845 -135.41557 8.65288 2.96329 -136.48036 1134.88356
8035.0000 -146.82335 -137.88848 8.93487 2.92434 -137.09043 1108.38129
8040.0000 -147.88310 -138.00488 9.87822 2.80665 -138.93417 1050.83555
8045.0000 -147.51069 -138.52063 8.99006 2.84685 -138.30432 1066.81195
8050.0000 -147.91263 -138.16154 9.75109 2.86280 -138.05451 1085.76027
8055.0000 -146.70869 -136.76162 9.94707 2.89562 -137.54034 1114.26287
8060.0000 -147.44641 -139.34599 8.10042 2.82157 -138.70040 1041.07894
8065.0000 -145.85945 -138.97494 6.88451 2.80602 -138.94389 1025.22630
8070.0000 -148.26102 -140.00031 8.26071 2.78900 -139.21055 1023.06810
8075.0000 -148.73938 -140.74888 7.99049 2.73069 -140.12398 989.46347
8080.0000 -147.03531 -139.39454 7.64077 2.77401 -139.44541 1026.78821
8085.0000 -147.32260 -139.41211 7.91049 2.76596 -139.57148 999.11915
8090.0000 -147.73090 -137.83423 9.89667 2.80707 -138.92752 1035.65178
8095.0000 -147.10609 -138.84420 8.26190 2.82440 -138.65603 1058.14019
8100.0000 -144.53243 -136.27374 8.25870 2.86078 -138.08616 1009.43962
8105.0000 -144.83120 -137.10536 7.72584 3.02757 -135.47334 1179.47881
8110.0000 -149.06576 -139.53133 9.53443 2.84557 -138.32437 1077.12073
8115.0000 -148.26584 -139.50797 8.75787 2.73046 -140.12757 1010.51253
8120.0000 -146.04740 -138.67146 7.37594 2.75121 -139.80259 1029.88341
8125.0000 -146.30589 -138.24090 8.06499 2.86462 -138.02593 1089.49924
8130.0000 -147.23084 -138.68782 8.54302 2.82874 -138.58809 1068.76943
8135.0000 -144.12566 -135.22970 8.89596 2.91879 -137.17736 1131.82236
8140.0000 -147.74973 -139.37880 8.37094 2.89899 -137.48757 1054.19089
8145.0000 -148.45800 -138.60887 9.84913 2.84002 -138.41128 1084.11762
8150.0000 -144.78039 -135.65718 9.12321 2.88581 -137.69402 1103.20811
8155.0000 -147.24206 -137.00009 10.24198 3.02668 -135.48738 1169.53239
8160.0000 -145.56983 -135.71306 9.85677 2.91244 -137.27689 1126.39095
8165.0000 -146.49412 -136.27918 10.21494 3.01111 -135.73129 1186.87496
8170.0000 -145.58871 -136.41365 9.17506 2.97450 -136.30470 1165.03954
8175.0000 -145.21999 -137.54155 7.67844 3.00754 -135.78721 1188.26505
8180.0000 -145.11542 -134.86947 10.24594 2.91118 -137.29662 1098.71765
8185.0000 -144.83369 -132.73676 12.09693 3.12588 -133.93333 1268.74952
8190.0000 -143.43108 -134.96623 8.46485 3.12260 -133.98483 1211.64925
8195.0000 -147.02170 -137.70490 9.31680 3.01869 -135.61244 1165.03616
8200.0000 -148.55913 -139.12902 9.43011 2.81131 -138.86114 1023.22977
8205.0000 -145.92807 -135.97365 9.95442 3.00101 -135.88948 1163.28491
8210.0000 -145.69478 -137.30858 8.38620 2.97427 -136.30832 1167.39323
8215.0000 -145.57840 -136.70653 8.87187 3.00332 -135.85321 1201.56391
8220.0000 -145.51014 -136.00963 9.50052 3.01433 -135.68077 1166.85291
8225.0000 -147.29661 -138.58545 8.71116 2.89506 -137.54909 1126.81409
8230.0000 -146.31064 -136.51844 9.79220 2.89345 -137.57436 1141.78800
8235.0000 -144.94806 -135.80238 9.14568 2.90456 -137.40034 1089.18135
8240.0000 -144.21730 -133.88887 10.32843 3.05811 -134.99497 1181.58090
8245.0000 -146.85863 -136.58760 10.27103 3.06597 -134.87192 1217.82972
8250.0000 -145.60776 -137.15290 8.45486 2.94859 -136.71064 1136.22102
MELTING PROCESS: loop number 34 T-loop= 1140.0000000000000
main_MD> interactions number 34 at Temperature= 1140.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.63400 0.55844 1.68081
force_rgl> df(natom) -1.24526 3.74394 -6.79053
8255.0000 -145.42003 -137.03288 8.38716 2.97283 -136.33090 1196.34177
8260.0000 -145.38871 -135.39937 9.98934 2.99126 -136.04225 1167.08055
8265.0000 -144.62364 -136.62003 8.00362 3.01259 -135.70804 1181.98093
8270.0000 -145.46523 -135.81868 9.64655 3.05175 -135.09455 1230.88934
8275.0000 -145.81068 -136.88983 8.92085 2.90212 -137.43858 1098.57835
8280.0000 -145.29531 -136.78980 8.50552 2.93862 -136.86682 1186.51305
8285.0000 -146.02558 -137.30903 8.71655 2.98071 -136.20738 1171.23882
8290.0000 -146.11722 -136.78765 9.32957 2.87126 -137.92194 1078.83870
8295.0000 -144.39560 -136.15797 8.23763 2.93798 -136.87679 1107.55029
8300.0000 -144.72456 -136.99896 7.72560 2.94794 -136.72078 1146.98915
8305.0000 -146.42370 -137.47186 8.95185 2.91598 -137.22141 1129.79567
8310.0000 -144.17589 -135.97982 8.19607 2.97167 -136.34904 1154.11716
8315.0000 -145.29206 -137.65156 7.64051 2.92609 -137.06301 1122.79648
8320.0000 -144.69834 -134.91277 9.78558 2.99905 -135.92022 1153.37962
8325.0000 -144.01972 -134.99375 9.02598 3.03236 -135.39838 1204.42027
8330.0000 -146.57081 -137.70931 8.86150 2.95572 -136.59899 1141.74832
8335.0000 -147.69456 -137.83355 9.86101 2.88933 -137.63889 1094.18880
8340.0000 -146.12636 -135.47218 10.65418 2.89404 -137.56517 1105.48127
8345.0000 -146.31335 -134.57846 11.73488 3.07233 -134.77231 1206.12636
8350.0000 -145.50593 -137.68198 7.82395 2.97828 -136.24553 1161.63708
8355.0000 -145.59377 -136.80736 8.78641 2.87587 -137.84984 1046.91694
8360.0000 -144.50134 -135.38299 9.11835 2.98887 -136.07961 1151.67173
8365.0000 -145.15516 -133.37821 11.77695 3.07273 -134.76603 1274.47901
8370.0000 -144.84206 -135.83807 9.00399 3.05977 -134.96897 1206.90646
8375.0000 -144.81262 -134.86005 9.95257 2.98118 -136.20002 1185.72279
8380.0000 -144.52309 -133.63042 10.89267 3.07138 -134.78717 1225.21148
8385.0000 -144.15441 -134.68193 9.47248 3.07003 -134.80826 1190.92334
8390.0000 -145.93644 -136.46905 9.46739 2.98119 -136.19994 1149.85339
8395.0000 -146.36972 -137.91089 8.45883 3.00462 -135.83288 1181.24226
8400.0000 -146.00493 -138.22959 7.77534 2.93100 -136.98613 1132.27297
8405.0000 -146.41059 -135.99123 10.41936 2.93158 -136.97709 1099.41263
8410.0000 -146.37553 -136.98554 9.38999 3.00197 -135.87443 1195.79845
8415.0000 -144.22232 -135.71353 8.50879 2.98193 -136.18838 1135.80277
8420.0000 -144.55691 -137.03892 7.51799 2.99807 -135.93554 1169.21707
8425.0000 -145.12870 -136.61906 8.50965 2.96577 -136.44145 1146.37624
8430.0000 -144.79193 -137.31371 7.47822 2.93615 -136.90551 1137.78437
8435.0000 -147.21709 -137.98318 9.23391 2.88420 -137.71928 1029.05018
8440.0000 -146.26249 -136.97938 9.28311 2.94582 -136.75405 1138.81391
8445.0000 -145.65282 -137.79295 7.85987 2.98253 -136.17901 1176.56719
8450.0000 -144.64238 -134.85831 9.78407 2.99001 -136.06184 1146.25657
8455.0000 -146.36516 -136.49963 9.86553 2.92699 -137.04900 1121.82876
8460.0000 -144.60952 -135.76931 8.84021 3.00681 -135.79859 1177.34902
8465.0000 -146.32418 -136.61161 9.71257 3.07275 -134.76562 1190.73069
8470.0000 -146.52510 -138.13084 8.39426 2.94340 -136.79199 1157.55524
8475.0000 -145.45776 -136.76994 8.68782 2.88780 -137.66295 1117.42759
8480.0000 -145.78284 -137.81281 7.97003 2.91015 -137.31270 1112.67109
8485.0000 -147.82764 -139.31716 8.51048 2.82053 -138.71669 1041.95711
8490.0000 -145.24026 -136.42858 8.81168 2.85359 -138.19871 1066.24374
8495.0000 -145.33281 -135.47599 9.85682 3.05031 -135.11717 1213.34389
8500.0000 -144.26343 -133.60172 10.66171 3.03263 -135.39414 1209.17027
MELTING PROCESS: loop number 35 T-loop= 1165.0000000000000
main_MD> interactions number 35 at Temperature= 1165.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 3.38170 1.16088 1.09588
force_rgl> df(natom) 1.72278 -1.00098 -1.46242
8505.0000 -145.79468 -135.14422 10.65046 3.09159 -134.47051 1211.27846
8510.0000 -145.02508 -133.75042 11.27466 3.15793 -133.43137 1239.69929
8515.0000 -143.32388 -132.35978 10.96410 3.12638 -133.92559 1253.33677
8520.0000 -144.66922 -135.33313 9.33609 3.10176 -134.31125 1238.93446
8525.0000 -145.36146 -136.63732 8.72414 2.99225 -136.02673 1124.58037
8530.0000 -145.91601 -137.42059 8.49542 2.90197 -137.44084 1104.64734
8535.0000 -147.32858 -136.59446 10.73412 2.89925 -137.48352 1079.95221
8540.0000 -144.78344 -134.59087 10.19258 3.05687 -135.01435 1226.82606
8545.0000 -146.92153 -138.76392 8.15761 2.96791 -136.40799 1112.83407
8550.0000 -146.17302 -137.14728 9.02574 2.89323 -137.57781 1084.70887
8555.0000 -146.23744 -135.84261 10.39484 2.93549 -136.91580 1119.82777
8560.0000 -146.58262 -136.24261 10.34000 3.01468 -135.67530 1172.60305
8565.0000 -145.45804 -137.67480 7.78324 2.86603 -138.00390 1083.35335
8570.0000 -144.33505 -136.38328 7.95177 2.94010 -136.84364 1094.64793
8575.0000 -147.10155 -136.29950 10.80204 2.91490 -137.23837 1131.03132
8580.0000 -148.55392 -139.61540 8.93852 2.90286 -137.42700 1084.54498
8585.0000 -144.25075 -135.34822 8.90253 2.93970 -136.84990 1119.54336
8590.0000 -146.53943 -136.90073 9.63870 2.97227 -136.33969 1108.95281
8595.0000 -144.02216 -135.34982 8.67234 3.00178 -135.87744 1183.61987
8600.0000 -145.52260 -137.44837 8.07424 2.96119 -136.51326 1186.51498
8605.0000 -145.62593 -138.71363 6.91231 2.85744 -138.13848 1040.30102
8610.0000 -146.77985 -137.76531 9.01454 2.83009 -138.56687 1065.49577
8615.0000 -144.57072 -134.73629 9.83443 2.93719 -136.88915 1103.93490
8620.0000 -147.30656 -138.84710 8.45946 2.92515 -137.07778 1113.39710
8625.0000 -147.35477 -137.83699 9.51778 2.84135 -138.39055 1048.77872
8630.0000 -147.00430 -137.09423 9.91007 2.83413 -138.50365 1059.47465
8635.0000 -146.26306 -135.61190 10.65116 2.96550 -136.44579 1157.36528
8640.0000 -145.26444 -136.48809 8.77635 2.94944 -136.69725 1099.02649
8645.0000 -145.17844 -134.82641 10.35203 3.02093 -135.57742 1200.85630
8650.0000 -144.09389 -134.47120 9.62269 3.10207 -134.30630 1243.42031
8655.0000 -145.65729 -135.39389 10.26340 3.06694 -134.85665 1257.82178
8660.0000 -143.64163 -133.80378 9.83784 3.09756 -134.37703 1265.04551
8665.0000 -146.35507 -136.12743 10.22764 3.04323 -135.22815 1176.54392
8670.0000 -141.04593 -132.35541 8.69052 3.09262 -134.45437 1247.32394
8675.0000 -145.74030 -135.30392 10.43637 3.05632 -135.02311 1214.20851
8680.0000 -147.90776 -138.01019 9.89758 2.88648 -137.68356 1106.27151
8685.0000 -147.14895 -138.20519 8.94376 2.89144 -137.60585 1095.25566
8690.0000 -144.14292 -133.99770 10.14523 2.93045 -136.99474 1136.33325
8695.0000 -144.52449 -136.14283 8.38166 3.05613 -135.02596 1200.95308
8700.0000 -145.02699 -136.28554 8.74145 2.95307 -136.64049 1127.75219
8705.0000 -144.26732 -135.93163 8.33569 2.94458 -136.77342 1105.20347
8710.0000 -146.57864 -136.72090 9.85774 2.95816 -136.56073 1140.67150
8715.0000 -145.89640 -136.53259 9.36381 2.94311 -136.79638 1110.16265
8720.0000 -144.28375 -134.73948 9.54426 3.03349 -135.38067 1219.23293
8725.0000 -144.76532 -134.34969 10.41563 3.01409 -135.68458 1188.43861
8730.0000 -144.20721 -134.28930 9.91790 3.12074 -134.01386 1248.16105
8735.0000 -142.67681 -132.60148 10.07533 3.14280 -133.66829 1237.38799
8740.0000 -143.50628 -133.51454 9.99174 3.02311 -135.54323 1229.88262
8745.0000 -144.83307 -134.57284 10.26024 3.06998 -134.80912 1214.76588
8750.0000 -145.17362 -134.65286 10.52076 3.01482 -135.67318 1185.25664
MELTING PROCESS: loop number 36 T-loop= 1190.0000000000000
main_MD> interactions number 36 at Temperature= 1190.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.91898 -1.34244 -2.30756
force_rgl> df(natom) -1.07310 -5.42811 -2.39902
8755.0000 -144.44038 -134.69944 9.74094 3.00245 -135.86690 1133.59852
8760.0000 -147.36796 -137.76784 9.60012 2.95426 -136.62177 1139.86717
8765.0000 -145.70731 -136.24363 9.46367 2.94064 -136.83520 1085.67839
8770.0000 -144.87855 -134.77979 10.09876 3.01299 -135.70181 1187.76761
8775.0000 -143.17168 -133.28352 9.88815 3.12156 -134.00112 1260.53692
8780.0000 -144.90609 -134.22673 10.67936 3.10323 -134.28824 1241.17811
8785.0000 -144.77000 -133.83659 10.93340 3.10470 -134.26522 1263.73849
8790.0000 -145.45949 -137.57981 7.87968 3.02369 -135.53416 1211.52103
8795.0000 -147.89990 -139.58361 8.31629 2.83782 -138.44589 1019.93366
8800.0000 -144.64810 -136.00541 8.64269 2.87165 -137.91594 1092.28629
8805.0000 -144.38362 -134.93326 9.45037 3.01241 -135.71091 1199.09844
8810.0000 -143.60913 -133.80981 9.79932 3.08284 -134.60755 1266.26052
8815.0000 -145.70203 -136.60824 9.09379 3.02456 -135.52055 1193.66472
8820.0000 -143.45793 -134.00026 9.45767 3.02914 -135.44882 1151.00112
8825.0000 -142.68972 -131.99375 10.69597 3.14561 -133.62429 1290.28926
8830.0000 -143.65881 -133.13709 10.52173 3.19303 -132.88148 1306.72730
8835.0000 -145.15611 -134.08486 11.07126 3.12126 -134.00568 1236.79416
8840.0000 -144.74112 -133.51114 11.22999 3.14080 -133.69969 1276.70350
8845.0000 -144.63917 -134.02881 10.61036 3.11258 -134.14169 1221.96956
8850.0000 -144.29711 -131.61165 12.68546 3.19076 -132.91697 1317.81777
8855.0000 -143.14061 -134.30359 8.83702 3.16605 -133.30409 1262.73810
8860.0000 -145.60995 -135.34065 10.26930 3.04964 -135.12761 1193.15856
8865.0000 -145.95384 -136.64180 9.31204 3.05117 -135.10372 1224.44030
8870.0000 -146.20925 -135.02753 11.18172 2.97121 -136.35626 1136.29225
8875.0000 -143.92789 -134.42725 9.50064 3.09053 -134.48707 1267.88802
8880.0000 -143.47004 -134.38172 9.08833 3.10802 -134.21314 1254.32321
8885.0000 -145.77856 -136.16131 9.61725 3.09245 -134.45701 1256.70222
8890.0000 -145.80255 -137.09581 8.70674 2.95742 -136.57222 1120.94909
8895.0000 -143.59542 -135.83192 7.76351 2.96794 -136.40753 1107.61236
8900.0000 -145.19540 -135.24199 9.95341 3.01361 -135.69215 1165.98648
8905.0000 -145.70551 -137.23709 8.46842 3.02456 -135.52063 1193.99670
8910.0000 -145.30525 -135.13753 10.16772 2.96436 -136.46352 1150.71030
8915.0000 -144.88468 -134.71857 10.16611 3.12796 -133.90079 1259.61806
8920.0000 -146.32694 -135.87082 10.45612 3.04394 -135.21696 1205.98889
8925.0000 -144.45221 -134.84260 9.60961 2.99762 -135.94263 1144.86032
8930.0000 -145.25970 -134.67327 10.58643 3.09566 -134.40684 1250.47837
8935.0000 -145.34209 -134.98611 10.35598 3.15394 -133.49387 1272.45126
8940.0000 -144.86771 -132.56449 12.30322 3.09368 -134.43786 1230.68957
8945.0000 -143.15884 -133.72844 9.43040 3.14223 -133.67731 1266.63547
8950.0000 -145.37709 -135.43176 9.94533 3.09181 -134.46701 1237.73634
8955.0000 -142.43830 -133.61067 8.82764 3.03766 -135.31536 1163.85617
8960.0000 -143.95262 -134.00264 9.94998 3.21170 -132.58907 1338.34843
8965.0000 -147.18515 -137.48083 9.70432 2.95813 -136.56111 1126.07241
8970.0000 -145.26457 -135.80036 9.46421 2.98659 -136.11530 1163.66575
8975.0000 -143.29554 -133.92791 9.36764 3.03168 -135.40901 1184.43047
8980.0000 -146.18213 -138.07913 8.10300 3.01172 -135.72175 1184.76353
8985.0000 -146.71075 -137.28468 9.42606 2.90455 -137.40054 1077.84035
8990.0000 -144.51814 -134.11101 10.40713 3.00077 -135.89317 1158.08382
8995.0000 -143.73762 -132.61345 11.12417 3.10011 -134.33701 1217.77799
9000.0000 -141.99544 -130.33385 11.66158 3.27802 -131.55006 1336.16608
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 13 [min], 37.9445331 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink