tmlkyza
/
nanoparticlesims
1
0
Fork 0
Code Issues Pull Requests Packages Projects Releases Wiki Activity
nanoparticlesims/growth_Melting_Silver_ICO_3269/meltingSims/run_19/melt.log

1759 lines
173 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_19.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 = 19 ntipo2 = 0
read_input> Finish reading input
main_MD> Allocating global variables
main_MD> Number of outputs that will be created: 1550
main_MD> Size of nv and nvoiz: 19 1900
main_MD> Size of nv and nvoiz: 19 1900
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 = 19
main_MD> Consider changing parameter nsiz in module_parameters.f90 for performance
main_MD> collvar_wanted = F
main_MD> INPUT AND POTENTIAL FILE READING IS DONE
main_MD> THERMALIZATION IS STARTING
init> -9.3478104217376096E-002 -2.9869504083499226E-002 4.7869940809525169E-002 initial drift of cluster / NP1 for coalescence
init> 0.39271129971765256 0.37013159098097898 0.27236254680987981 scaling for velocity /for coalescence NP1
init.f90 > facguy = 2.1898243397461144E-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) 3.08271 -3.83755 1.18699
force_rgl> df(natom) -2.21456 1.52016 1.59593
preparo> THERMALIZATION PROCESS AT 413.06888807331467
preparo> TOTAL ENERGY, KINETIC EN., POT. ENERGY, DELTA
5000 -44.297545738568516 0.88791501363473069 -45.185460752203248 3.8388707856205982E-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 31
MELTING PROCESS: loop number 1 T-loop= 441.00000000000000
main_MD> interactions number 1 at Temperature= 441.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.57527 -1.33642 -1.77087
force_rgl> df(natom) -1.24755 -1.40188 -1.14214
5.0000 -44.46065 -43.38817 1.07248 1.71850 -43.81364 382.58981
10.0000 -44.44614 -43.44575 1.00039 1.79510 -43.26826 452.71487
15.0000 -44.10233 -42.99403 1.10830 1.81504 -43.12625 477.20933
20.0000 -44.45881 -43.19243 1.26639 1.78423 -43.34565 448.80714
25.0000 -44.64809 -43.41613 1.23196 1.77772 -43.39197 444.89947
30.0000 -44.40301 -43.66040 0.74261 1.77848 -43.38654 396.43319
35.0000 -44.37841 -43.22579 1.15262 1.78189 -43.36230 449.64306
40.0000 -44.26196 -43.09411 1.16784 1.81763 -43.10779 491.76411
45.0000 -44.67823 -43.26041 1.41782 1.81255 -43.14398 480.46475
50.0000 -44.42116 -43.53303 0.88813 1.76035 -43.51566 408.97348
55.0000 -44.41256 -43.28704 1.12552 1.77929 -43.38084 430.73877
60.0000 -44.43463 -43.05172 1.38291 1.78197 -43.36169 429.10627
65.0000 -44.35321 -42.89660 1.45661 1.81454 -43.12981 471.48888
70.0000 -44.41285 -43.04302 1.36983 1.83369 -42.99347 489.12277
75.0000 -44.43643 -42.88370 1.55273 1.79849 -43.24406 458.28439
80.0000 -43.90141 -42.55502 1.34639 1.85897 -42.81342 506.75599
85.0000 -44.01774 -42.88631 1.13143 1.86421 -42.77615 528.70706
90.0000 -44.57413 -43.11539 1.45874 1.83145 -43.00941 506.64285
95.0000 -44.29833 -43.23986 1.05847 1.81087 -43.15591 493.52780
100.0000 -44.67196 -43.51885 1.15311 1.75946 -43.52201 379.21264
105.0000 -44.36824 -43.24756 1.12068 1.77623 -43.40257 411.56659
110.0000 -44.37369 -43.14980 1.22389 1.77989 -43.37651 435.54915
115.0000 -44.54303 -43.23902 1.30400 1.79046 -43.30129 447.65587
120.0000 -44.77219 -43.72575 1.04643 1.76993 -43.44742 448.86966
125.0000 -44.01183 -42.80765 1.20418 1.80147 -43.22286 478.77658
130.0000 -44.16129 -42.74988 1.41141 1.85252 -42.85940 569.50243
135.0000 -44.76900 -42.73101 2.03799 1.89248 -42.57485 578.02803
140.0000 -44.72854 -43.35445 1.37409 1.78361 -43.35006 467.94921
145.0000 -44.55978 -43.33868 1.22110 1.77324 -43.42388 443.68919
150.0000 -44.48869 -43.37521 1.11348 1.76905 -43.45371 424.50906
155.0000 -44.90194 -43.73015 1.17179 1.77374 -43.42033 455.98730
160.0000 -44.74020 -43.35357 1.38663 1.77312 -43.42471 438.44477
165.0000 -44.61696 -43.49068 1.12629 1.77888 -43.38369 453.19983
170.0000 -44.76178 -43.85254 0.90924 1.74760 -43.60643 400.31423
175.0000 -44.68683 -43.28715 1.39968 1.75739 -43.53674 426.64804
180.0000 -44.68705 -43.70740 0.97964 1.75373 -43.56276 400.12793
185.0000 -44.31246 -43.51121 0.80125 1.75567 -43.54896 401.48883
190.0000 -44.32625 -43.35859 0.96766 1.77128 -43.43782 444.19013
195.0000 -44.20889 -43.16327 1.04562 1.81568 -43.12168 465.73736
200.0000 -44.17827 -42.53182 1.64645 1.85724 -42.82580 524.69395
205.0000 -44.73823 -43.30599 1.43223 1.83809 -42.96209 588.94716
210.0000 -45.08858 -44.05498 1.03360 1.72752 -43.74941 444.26778
215.0000 -44.95606 -44.11341 0.84265 1.67720 -44.10775 370.31028
220.0000 -44.60951 -43.67105 0.93846 1.76449 -43.48620 484.61155
225.0000 -45.05076 -43.99937 1.05139 1.77812 -43.38913 512.37176
230.0000 -44.60748 -43.21669 1.39078 1.77097 -43.44007 498.15377
235.0000 -43.95118 -42.79419 1.15699 1.83240 -43.00265 461.84554
240.0000 -44.63238 -43.23524 1.39714 1.80115 -43.22516 494.67456
245.0000 -44.54641 -43.33642 1.20999 1.79954 -43.23658 475.55534
250.0000 -44.76082 -43.85794 0.90288 1.73054 -43.72795 435.12505
MELTING PROCESS: loop number 2 T-loop= 466.00000000000000
main_MD> interactions number 2 at Temperature= 466.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46099 -5.62043 7.36185
force_rgl> df(natom) -1.31735 0.64937 0.98601
255.0000 -44.99629 -43.85025 1.14604 1.74622 -43.61624 471.15774
260.0000 -44.53590 -43.33441 1.20149 1.73636 -43.68649 462.34939
265.0000 -44.85242 -43.31933 1.53309 1.76680 -43.46974 502.40880
270.0000 -44.50759 -43.32141 1.18618 1.74638 -43.61512 465.25672
275.0000 -44.79881 -43.69561 1.10320 1.74089 -43.65423 458.58775
280.0000 -44.77970 -43.37214 1.40755 1.79702 -43.25455 525.90615
285.0000 -44.96629 -43.75819 1.20810 1.77250 -43.42917 492.24042
290.0000 -44.77809 -43.76338 1.01471 1.70443 -43.91384 419.33084
295.0000 -44.70912 -43.73148 0.97764 1.72827 -43.74409 453.63027
300.0000 -45.05340 -44.01280 1.04060 1.71090 -43.86775 436.72549
305.0000 -44.86735 -43.75448 1.11287 1.69851 -43.95598 423.18552
310.0000 -44.72232 -43.63460 1.08771 1.75143 -43.57914 478.11942
315.0000 -44.57767 -43.58945 0.98822 1.77013 -43.44600 490.64025
320.0000 -44.78771 -43.44152 1.34619 1.73895 -43.66804 470.13468
325.0000 -44.61625 -43.80087 0.81538 1.74513 -43.62404 465.02581
330.0000 -44.98870 -44.07115 0.91755 1.72737 -43.75052 436.86337
335.0000 -44.32501 -43.28740 1.03761 1.74615 -43.61681 450.52788
340.0000 -44.59712 -43.40351 1.19360 1.79638 -43.25915 528.43600
345.0000 -44.35326 -43.39858 0.95468 1.78029 -43.37368 500.56266
350.0000 -44.55250 -43.59147 0.96103 1.74310 -43.63851 454.61182
355.0000 -45.05701 -43.81385 1.24316 1.74198 -43.64647 459.23329
360.0000 -44.85972 -43.51560 1.34412 1.75975 -43.51993 502.70048
365.0000 -45.20390 -43.97431 1.22959 1.72088 -43.79673 445.12461
370.0000 -44.65100 -43.54865 1.10235 1.73889 -43.66848 458.49184
375.0000 -44.72027 -43.63909 1.08118 1.74994 -43.58982 488.49393
380.0000 -44.42157 -43.18940 1.23217 1.75508 -43.55320 498.76822
385.0000 -44.91354 -43.72816 1.18538 1.78637 -43.33042 510.15094
390.0000 -44.80722 -43.48746 1.31977 1.74019 -43.65920 457.69008
395.0000 -44.83114 -43.76758 1.06356 1.73596 -43.68932 454.41012
400.0000 -44.97776 -43.71677 1.26099 1.71249 -43.85642 414.58653
405.0000 -44.80267 -43.78973 1.01295 1.74086 -43.65441 482.12174
410.0000 -44.59357 -43.37185 1.22171 1.76746 -43.46505 493.99392
415.0000 -44.84631 -43.34675 1.49957 1.80987 -43.16303 542.63436
420.0000 -44.94571 -43.67312 1.27258 1.78108 -43.36804 524.80203
425.0000 -44.41440 -43.31016 1.10423 1.74248 -43.64292 454.30239
430.0000 -44.52035 -43.42071 1.09965 1.78089 -43.36944 498.11301
435.0000 -44.38378 -43.18817 1.19561 1.79779 -43.24907 529.43035
440.0000 -44.81264 -43.18442 1.62822 1.80228 -43.21712 526.22174
445.0000 -44.66079 -43.36167 1.29912 1.77646 -43.40092 524.73712
450.0000 -44.90721 -43.53856 1.36865 1.76246 -43.50060 510.64208
455.0000 -44.73401 -43.76871 0.96529 1.77252 -43.42901 507.52291
460.0000 -44.99361 -44.02711 0.96650 1.72309 -43.78094 428.86305
465.0000 -44.88407 -43.83485 1.04922 1.70687 -43.89645 410.34116
470.0000 -44.30931 -43.18955 1.11976 1.75668 -43.54181 485.94475
475.0000 -44.60986 -43.27132 1.33853 1.77730 -43.39500 505.56657
480.0000 -44.79346 -43.66998 1.12348 1.75821 -43.53090 498.82881
485.0000 -45.02860 -43.54439 1.48421 1.72701 -43.75308 440.12844
490.0000 -44.61765 -43.14956 1.46809 1.79555 -43.26501 530.40193
495.0000 -44.84409 -43.81700 1.02709 1.75809 -43.53177 493.88228
500.0000 -44.76462 -43.75125 1.01337 1.72012 -43.80211 447.01912
MELTING PROCESS: loop number 3 T-loop= 491.00000000000000
main_MD> interactions number 3 at Temperature= 491.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.65119 1.47463 -0.33339
force_rgl> df(natom) -2.13721 -0.07977 -2.76590
505.0000 -44.95110 -43.94557 1.00554 1.67917 -44.09372 392.35091
510.0000 -44.89668 -43.65569 1.24099 1.70833 -43.88605 421.61778
515.0000 -44.99506 -43.61113 1.38394 1.76487 -43.48345 485.06682
520.0000 -44.68131 -43.29186 1.38945 1.76605 -43.47505 496.76352
525.0000 -44.48336 -43.20725 1.27611 1.79045 -43.30136 526.77254
530.0000 -43.88099 -42.75366 1.12733 1.78185 -43.36256 441.30690
535.0000 -44.35321 -43.25407 1.09914 1.82157 -43.07978 465.51856
540.0000 -44.14558 -43.05010 1.09548 1.79432 -43.27375 463.34559
545.0000 -44.10572 -43.05463 1.05108 1.83286 -42.99936 513.10392
550.0000 -44.60155 -43.33227 1.26928 1.81278 -43.14231 461.80265
555.0000 -44.12661 -43.36332 0.76329 1.80560 -43.19350 447.63615
560.0000 -44.56995 -43.84273 0.72722 1.76507 -43.48202 402.30521
565.0000 -44.76865 -43.65740 1.11125 1.75219 -43.57374 430.05812
570.0000 -44.87861 -43.97292 0.90569 1.74569 -43.62003 415.23602
575.0000 -44.63628 -43.55629 1.07999 1.75957 -43.52124 444.98165
580.0000 -44.23602 -43.18640 1.04962 1.77907 -43.38238 472.73386
585.0000 -44.55334 -43.42218 1.13116 1.78190 -43.36221 462.78616
590.0000 -44.64484 -43.39836 1.24648 1.76646 -43.47218 441.72745
595.0000 -43.88295 -42.78203 1.10092 1.82056 -43.08693 513.27890
600.0000 -43.91397 -42.48896 1.42502 1.88268 -42.64461 564.40709
605.0000 -43.99448 -43.27583 0.71865 1.82559 -43.05111 493.55340
610.0000 -44.57097 -42.97093 1.60003 1.79143 -43.29433 447.10886
615.0000 -44.09863 -42.93395 1.16468 1.83693 -42.97038 504.07405
620.0000 -44.43115 -43.23916 1.19200 1.85463 -42.84432 505.76174
625.0000 -44.18425 -43.26258 0.92167 1.85000 -42.87733 529.21913
630.0000 -44.39820 -43.45103 0.94717 1.79898 -43.24060 457.56049
635.0000 -44.36247 -43.29994 1.06254 1.77350 -43.42201 426.55995
640.0000 -43.85236 -42.72060 1.13176 1.84499 -42.91297 502.48213
645.0000 -44.42520 -42.61369 1.81151 1.90958 -42.45306 580.39258
650.0000 -44.48555 -42.93804 1.54751 1.86543 -42.76742 552.75833
655.0000 -44.19487 -43.09361 1.10126 1.83126 -43.01076 489.12052
660.0000 -44.54180 -43.56163 0.98017 1.78611 -43.33227 429.13261
665.0000 -44.46205 -43.22812 1.23393 1.77897 -43.38311 435.03865
670.0000 -44.32377 -43.00794 1.31583 1.80935 -43.16678 443.50754
675.0000 -44.40863 -43.22051 1.18811 1.80494 -43.19813 472.65281
680.0000 -44.22391 -42.60713 1.61678 1.82319 -43.06820 483.16427
685.0000 -44.19567 -42.98477 1.21089 1.83915 -42.95454 513.00458
690.0000 -44.10950 -42.71671 1.39279 1.82529 -43.05329 492.47699
695.0000 -44.04670 -42.92949 1.11722 1.83371 -42.99333 520.37814
700.0000 -44.24920 -42.84852 1.40067 1.85072 -42.87219 530.36716
705.0000 -44.24052 -42.68435 1.55618 1.86184 -42.79305 552.77613
710.0000 -44.40891 -43.41499 0.99392 1.80464 -43.20033 486.98545
715.0000 -44.24265 -43.19278 1.04987 1.77709 -43.39645 427.32497
720.0000 -43.94682 -42.63732 1.30950 1.85382 -42.85012 531.68169
725.0000 -44.26126 -43.15178 1.10948 1.84014 -42.94750 495.14100
730.0000 -44.16311 -42.14882 2.01430 1.92287 -42.35844 655.30569
735.0000 -44.12957 -42.86361 1.26596 1.92266 -42.35995 663.73763
740.0000 -44.79481 -43.79747 0.99734 1.76343 -43.49370 431.58895
745.0000 -44.51618 -43.41865 1.09754 1.73144 -43.72150 387.02787
750.0000 -44.58853 -43.76308 0.82545 1.77396 -43.41876 435.29862
MELTING PROCESS: loop number 4 T-loop= 516.00000000000000
main_MD> interactions number 4 at Temperature= 516.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.53649 1.39171 -0.57156
force_rgl> df(natom) 1.46257 -1.85679 -0.57143
755.0000 -44.85300 -43.66647 1.18653 1.74807 -43.60313 410.98730
760.0000 -44.72743 -43.37604 1.35139 1.78460 -43.34301 455.59277
765.0000 -44.01802 -42.66787 1.35016 1.83702 -42.96978 560.16973
770.0000 -43.94121 -42.72134 1.21987 1.84689 -42.89950 519.15537
775.0000 -44.12696 -42.81495 1.31201 1.81826 -43.10330 477.00397
780.0000 -44.09653 -42.73147 1.36506 1.88345 -42.63917 582.21901
785.0000 -43.99075 -43.09947 0.89128 1.81722 -43.11070 450.63634
790.0000 -44.27998 -42.98567 1.29431 1.83613 -42.97606 500.92247
795.0000 -43.95520 -43.18253 0.77267 1.79993 -43.23384 455.91860
800.0000 -44.71887 -43.24000 1.47887 1.83477 -42.98575 529.15991
805.0000 -44.44646 -43.43149 1.01497 1.79836 -43.24498 443.04860
810.0000 -44.32072 -42.63657 1.68415 1.83708 -42.96931 517.60084
815.0000 -44.09116 -42.50420 1.58696 1.84252 -42.93057 516.55890
820.0000 -44.55095 -42.77972 1.77123 1.89296 -42.57142 594.63344
825.0000 -44.41782 -43.05903 1.35878 1.85954 -42.80941 525.64008
830.0000 -44.22097 -42.82835 1.39262 1.83995 -42.94887 534.64205
835.0000 -44.26275 -43.38567 0.87708 1.80914 -43.16826 462.23707
840.0000 -44.42269 -43.10874 1.31395 1.82774 -43.03585 503.95854
845.0000 -44.20143 -43.00692 1.19451 1.82899 -43.02690 507.21256
850.0000 -44.49717 -42.69673 1.80044 1.86307 -42.78426 527.40784
855.0000 -43.99937 -42.86848 1.13089 1.89238 -42.57555 572.72557
860.0000 -44.12264 -42.52118 1.60146 1.86439 -42.77486 549.82257
865.0000 -44.38062 -43.04158 1.33904 1.85116 -42.86908 526.51554
870.0000 -44.29884 -43.11092 1.18792 1.80157 -43.22217 472.28524
875.0000 -44.25677 -43.33904 0.91773 1.78668 -43.32819 452.00844
880.0000 -44.56357 -43.32819 1.23538 1.81520 -43.12509 498.78634
885.0000 -44.47868 -43.28320 1.19548 1.78994 -43.30500 500.91943
890.0000 -44.71015 -43.73440 0.97575 1.75735 -43.53703 482.79552
895.0000 -44.71410 -43.41776 1.29634 1.76811 -43.46038 512.58137
900.0000 -44.69302 -43.15963 1.53339 1.79027 -43.30264 537.72947
905.0000 -44.59142 -43.72214 0.86929 1.80569 -43.19284 556.94416
910.0000 -44.19931 -43.02988 1.16943 1.80213 -43.21819 531.64599
915.0000 -44.36032 -43.07667 1.28366 1.82121 -43.08229 555.46982
920.0000 -44.50455 -43.32899 1.17556 1.81274 -43.14265 535.96112
925.0000 -44.62742 -43.66682 0.96060 1.79255 -43.28641 532.49680
930.0000 -44.64075 -43.54430 1.09645 1.72826 -43.74414 452.48932
935.0000 -44.42829 -43.48014 0.94815 1.73985 -43.66160 467.31090
940.0000 -44.56059 -43.65161 0.90898 1.75576 -43.54834 491.26220
945.0000 -44.86060 -43.60916 1.25144 1.76509 -43.48194 491.62371
950.0000 -44.89393 -43.71682 1.17711 1.74088 -43.65431 457.10441
955.0000 -44.41265 -43.51253 0.90012 1.75294 -43.56840 476.86076
960.0000 -44.31810 -43.33155 0.98654 1.78155 -43.36471 509.12363
965.0000 -44.93269 -43.64136 1.29133 1.77748 -43.39366 482.54256
970.0000 -44.22155 -42.82978 1.39178 1.79344 -43.28003 537.38465
975.0000 -44.72395 -43.29709 1.42686 1.82029 -43.08885 556.51760
980.0000 -44.86707 -43.74228 1.12479 1.77571 -43.40631 506.02116
985.0000 -44.64422 -43.30527 1.33895 1.74355 -43.63526 460.01560
990.0000 -44.04504 -43.15492 0.89012 1.77067 -43.44219 494.02169
995.0000 -44.38357 -43.36287 1.02070 1.82105 -43.08349 553.21548
1000.0000 -43.88737 -42.68358 1.20379 1.80216 -43.21794 563.09571
MELTING PROCESS: loop number 5 T-loop= 541.00000000000000
main_MD> interactions number 5 at Temperature= 541.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.06256 1.84495 -0.08115
force_rgl> df(natom) 3.27695 -0.08095 0.72947
1005.0000 -44.41649 -43.07458 1.34192 1.80096 -43.22652 534.66663
1010.0000 -44.36288 -42.68096 1.68192 1.85924 -42.81155 590.65587
1015.0000 -44.11237 -42.78999 1.32238 1.86254 -42.78803 621.05491
1020.0000 -44.27085 -42.87117 1.39968 1.84406 -42.91958 593.97617
1025.0000 -44.33320 -42.66718 1.66602 1.84834 -42.88917 604.31674
1030.0000 -44.68337 -43.30828 1.37508 1.81437 -43.13105 566.63030
1035.0000 -44.61301 -43.34663 1.26638 1.80869 -43.17144 589.39051
1040.0000 -44.32714 -43.02667 1.30048 1.83141 -43.00970 571.32819
1045.0000 -44.22524 -43.16804 1.05720 1.80669 -43.18573 518.35922
1050.0000 -44.39809 -42.77031 1.62778 1.81693 -43.11282 555.80070
1055.0000 -44.92115 -43.50274 1.41842 1.77177 -43.43436 535.46606
1060.0000 -44.88020 -43.54919 1.33101 1.74511 -43.62420 471.72942
1065.0000 -44.51000 -43.60461 0.90539 1.72344 -43.77845 434.04738
1070.0000 -44.94792 -43.46962 1.47830 1.72643 -43.75720 448.93564
1075.0000 -44.53944 -43.43219 1.10725 1.74823 -43.60195 459.90801
1080.0000 -44.58076 -43.20165 1.37910 1.79602 -43.26167 539.18886
1085.0000 -44.36677 -42.95587 1.41089 1.82239 -43.07392 576.04575
1090.0000 -44.37914 -43.26559 1.11355 1.82148 -43.08041 580.32400
1095.0000 -45.24272 -44.07502 1.16769 1.78604 -43.33272 511.57283
1100.0000 -44.64957 -43.58080 1.06877 1.72632 -43.75794 440.16258
1105.0000 -44.84811 -43.69482 1.15329 1.80136 -43.22364 526.35162
1110.0000 -44.54405 -43.35070 1.19335 1.75373 -43.56278 461.43729
1115.0000 -44.51294 -43.46843 1.04451 1.77428 -43.41647 523.55410
1120.0000 -44.49549 -43.13438 1.36111 1.77737 -43.39444 510.21481
1125.0000 -44.92393 -42.91493 2.00900 1.77628 -43.40221 519.24606
1130.0000 -44.32010 -42.86227 1.45783 1.85555 -42.83778 610.47567
1135.0000 -44.34367 -43.29824 1.04544 1.81005 -43.16179 553.18753
1140.0000 -44.20497 -42.73398 1.47100 1.82136 -43.08126 569.39124
1145.0000 -43.79532 -42.73649 1.05883 1.86163 -42.79454 627.37762
1150.0000 -44.05878 -42.22031 1.83847 1.92804 -42.32166 668.53110
1155.0000 -44.18692 -42.71180 1.47512 1.86587 -42.76432 565.40057
1160.0000 -44.49130 -43.12923 1.36208 1.85373 -42.85078 615.14039
1165.0000 -44.08477 -43.07324 1.01153 1.76797 -43.46139 506.14734
1170.0000 -44.86554 -43.59991 1.26563 1.82570 -43.05037 579.49561
1175.0000 -44.99353 -43.53043 1.46311 1.74573 -43.61976 491.14024
1180.0000 -44.13562 -42.74110 1.39452 1.80441 -43.20191 538.17329
1185.0000 -44.83560 -43.32411 1.51150 1.81381 -43.13503 557.66706
1190.0000 -44.04736 -42.48964 1.55773 1.88549 -42.62459 646.22026
1195.0000 -44.24399 -42.70348 1.54051 1.90979 -42.45163 665.91084
1200.0000 -44.62920 -43.48664 1.14257 1.77710 -43.39640 519.68770
1205.0000 -44.89105 -43.25875 1.63230 1.76124 -43.50932 490.37582
1210.0000 -44.48576 -42.62956 1.85620 1.85571 -42.83666 589.12894
1215.0000 -44.11238 -42.78744 1.32494 1.88347 -42.63897 627.72836
1220.0000 -44.58167 -42.96844 1.61323 1.88353 -42.63854 646.98666
1225.0000 -44.30658 -43.06721 1.23937 1.81600 -43.11942 552.70322
1230.0000 -44.77637 -43.63802 1.13835 1.77022 -43.44537 515.56340
1235.0000 -44.29865 -42.85090 1.44774 1.81514 -43.12553 558.06351
1240.0000 -44.81509 -43.56671 1.24837 1.76192 -43.50448 496.38419
1245.0000 -44.54882 -43.17878 1.37004 1.78356 -43.35041 508.63053
1250.0000 -44.34548 -42.83448 1.51100 1.83552 -42.98040 527.03017
MELTING PROCESS: loop number 6 T-loop= 566.00000000000000
main_MD> interactions number 6 at Temperature= 566.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.17489 2.59689 0.45015
force_rgl> df(natom) 2.31362 1.16573 1.09930
1255.0000 -44.41732 -42.68455 1.73277 1.86235 -42.78940 571.02980
1260.0000 -44.22806 -42.48400 1.74406 1.88392 -42.63578 581.69664
1265.0000 -43.80022 -42.09436 1.70586 1.92518 -42.34198 630.37810
1270.0000 -44.08746 -42.54795 1.53951 1.90426 -42.49096 552.60769
1275.0000 -43.93082 -42.43067 1.50016 1.89175 -42.58004 575.97272
1280.0000 -44.52129 -43.18561 1.33567 1.86300 -42.78475 529.48378
1285.0000 -44.48976 -43.02417 1.46559 1.81470 -43.12870 505.38891
1290.0000 -44.36419 -43.21017 1.15402 1.80105 -43.22588 498.91630
1295.0000 -44.09322 -42.59651 1.49671 1.81542 -43.12353 496.28264
1300.0000 -44.57773 -43.25108 1.32665 1.84191 -42.93491 512.64715
1305.0000 -44.23443 -42.57960 1.65483 1.83809 -42.96211 497.94070
1310.0000 -44.12613 -42.63783 1.48829 1.85018 -42.87605 537.63587
1315.0000 -43.81923 -42.48045 1.33878 1.92719 -42.32769 600.49743
1320.0000 -44.22752 -42.97627 1.25126 1.88781 -42.60813 615.08503
1325.0000 -44.66581 -43.08967 1.57614 1.80432 -43.20258 487.52946
1330.0000 -44.33682 -43.19063 1.14619 1.77877 -43.38454 509.59295
1335.0000 -44.61947 -43.11482 1.50465 1.82617 -43.04699 576.39198
1340.0000 -44.65289 -43.21887 1.43403 1.82136 -43.08125 564.12407
1345.0000 -43.85108 -42.31181 1.53927 1.86488 -42.77136 626.65392
1350.0000 -44.71912 -43.56840 1.15073 1.83259 -43.00130 582.04039
1355.0000 -44.79179 -43.86965 0.92214 1.72493 -43.76785 456.20383
1360.0000 -45.26455 -43.77151 1.49303 1.72377 -43.77610 433.99788
1365.0000 -44.72789 -43.63351 1.09439 1.73620 -43.68764 446.48142
1370.0000 -43.72940 -42.57435 1.15505 1.82655 -43.04433 556.76815
1375.0000 -43.84068 -42.47019 1.37049 1.88857 -42.60269 550.67058
1380.0000 -44.28025 -42.80459 1.47565 1.87743 -42.68201 637.36955
1385.0000 -43.81745 -42.06016 1.75729 1.90240 -42.50421 595.69520
1390.0000 -43.77312 -42.82681 0.94631 1.91777 -42.39477 606.21970
1395.0000 -43.81932 -42.52342 1.29590 1.85719 -42.82614 500.04952
1400.0000 -43.81756 -42.30644 1.51112 1.91936 -42.38343 575.56709
1405.0000 -44.52438 -43.12013 1.40425 1.89328 -42.56916 557.64710
1410.0000 -44.50659 -43.23905 1.26754 1.83784 -42.96394 516.03277
1415.0000 -44.36796 -42.69234 1.67562 1.83553 -42.98036 508.79043
1420.0000 -44.12802 -42.52096 1.60706 1.85417 -42.84766 526.33846
1425.0000 -44.20902 -42.88018 1.32884 1.87662 -42.68781 518.60634
1430.0000 -44.11791 -42.44750 1.67041 1.84677 -42.90033 523.74410
1435.0000 -43.84782 -42.53248 1.31534 1.88203 -42.64923 543.13703
1440.0000 -44.04967 -42.28074 1.76893 1.89409 -42.56337 569.98662
1445.0000 -44.01866 -42.68195 1.33672 1.92208 -42.36412 614.15081
1450.0000 -43.92517 -42.72131 1.20386 1.87062 -42.73053 551.03831
1455.0000 -44.80020 -43.68986 1.11035 1.83241 -43.00259 516.33673
1460.0000 -44.19962 -43.23041 0.96921 1.75795 -43.53276 418.26534
1465.0000 -44.16998 -43.11282 1.05716 1.81402 -43.13348 473.80614
1470.0000 -44.47608 -43.03415 1.44193 1.78806 -43.31836 426.40730
1475.0000 -44.17100 -42.90075 1.27025 1.86150 -42.79543 520.00173
1480.0000 -44.05971 -42.75258 1.30713 1.85589 -42.83536 479.25707
1485.0000 -43.85170 -42.32579 1.52591 1.90752 -42.46773 600.00918
1490.0000 -44.18037 -42.71423 1.46614 1.88841 -42.60386 579.08982
1495.0000 -44.41910 -43.33325 1.08585 1.83534 -42.98174 497.53484
1500.0000 -44.38402 -43.13218 1.25184 1.78370 -43.34937 458.28580
MELTING PROCESS: loop number 7 T-loop= 591.00000000000000
main_MD> interactions number 7 at Temperature= 591.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.37496 2.89943 3.85304
force_rgl> df(natom) 0.95378 0.41336 -0.73947
1505.0000 -44.01608 -42.73615 1.27993 1.83373 -42.99320 513.08901
1510.0000 -44.10775 -42.44499 1.66276 1.93021 -42.30619 606.74316
1515.0000 -44.30423 -42.87768 1.42655 1.86353 -42.78098 536.39310
1520.0000 -44.02531 -42.79021 1.23510 1.83460 -42.98698 567.59765
1525.0000 -44.70268 -43.54495 1.15772 1.80490 -43.19847 542.36498
1530.0000 -43.91544 -42.87507 1.04037 1.77604 -43.40396 489.94048
1535.0000 -44.69923 -43.60673 1.09250 1.77947 -43.37951 482.67650
1540.0000 -44.58975 -42.97178 1.61797 1.80116 -43.22510 525.87413
1545.0000 -43.89610 -42.36954 1.52656 1.85846 -42.81710 622.31819
1550.0000 -44.80482 -43.27822 1.52660 1.86599 -42.76343 618.04196
1555.0000 -44.68288 -43.60615 1.07672 1.73258 -43.71336 452.86227
1560.0000 -44.78266 -43.93389 0.84877 1.73997 -43.66079 451.84666
1565.0000 -44.52384 -43.33611 1.18774 1.75794 -43.53279 484.33306
1570.0000 -44.41443 -42.36305 2.05138 1.82554 -43.05147 601.68233
1575.0000 -44.38276 -43.01676 1.36600 1.86069 -42.80121 615.78448
1580.0000 -44.57698 -43.14673 1.43025 1.84984 -42.87845 611.83752
1585.0000 -44.62590 -43.24866 1.37724 1.80214 -43.21814 532.95637
1590.0000 -44.52740 -43.22428 1.30312 1.79362 -43.27880 527.81064
1595.0000 -44.41546 -43.09861 1.31685 1.77887 -43.38378 524.43243
1600.0000 -44.45727 -43.48038 0.97689 1.79054 -43.30067 509.41034
1605.0000 -44.49350 -43.43498 1.05852 1.80354 -43.20812 533.43527
1610.0000 -44.77031 -43.41928 1.35103 1.75015 -43.58826 472.94867
1615.0000 -44.70135 -43.47733 1.22402 1.77121 -43.43833 509.67136
1620.0000 -43.98598 -42.42914 1.55684 1.84076 -42.94310 591.39005
1625.0000 -43.67807 -42.27165 1.40642 1.89870 -42.53057 592.56925
1630.0000 -44.35187 -42.58835 1.76351 1.90586 -42.47958 583.29356
1635.0000 -44.31277 -43.01184 1.30093 1.87965 -42.66623 581.50150
1640.0000 -43.95033 -42.04380 1.90653 1.90076 -42.51590 624.38065
1645.0000 -43.84009 -42.20276 1.63733 1.97858 -41.96175 705.62277
1650.0000 -43.88121 -42.82444 1.05676 1.92140 -42.36896 608.28249
1655.0000 -44.33959 -43.13667 1.20292 1.83447 -42.98787 489.39307
1660.0000 -44.19345 -42.61736 1.57609 1.86167 -42.79423 555.99486
1665.0000 -43.94937 -42.48086 1.46851 1.84159 -42.93718 519.64381
1670.0000 -43.88722 -42.72678 1.16044 1.86141 -42.79610 612.11157
1675.0000 -44.38964 -42.93708 1.45256 1.87614 -42.69119 611.54152
1680.0000 -44.34804 -42.97392 1.37412 1.84877 -42.88611 629.43107
1685.0000 -44.56492 -43.32743 1.23749 1.80795 -43.17675 544.46178
1690.0000 -44.49776 -43.26865 1.22911 1.81360 -43.13647 561.80016
1695.0000 -44.41009 -43.16346 1.24662 1.76765 -43.46367 490.66254
1700.0000 -44.10238 -42.60271 1.49967 1.84744 -42.89555 597.11590
1705.0000 -44.61600 -43.30063 1.31537 1.86982 -42.73617 566.25829
1710.0000 -44.31039 -42.39894 1.91145 1.84719 -42.89733 504.38493
1715.0000 -43.52423 -42.05123 1.47300 1.94454 -42.20413 640.44354
1720.0000 -43.42491 -41.43727 1.98765 1.97364 -41.99694 705.82471
1725.0000 -43.95230 -42.33658 1.61571 1.94873 -42.17434 691.06501
1730.0000 -44.31900 -42.81695 1.50204 1.83772 -42.96473 533.93470
1735.0000 -43.67684 -42.15751 1.51933 1.87405 -42.70611 571.90933
1740.0000 -43.50447 -42.33457 1.16991 1.93906 -42.24316 664.16576
1745.0000 -43.45271 -42.15952 1.29319 1.91961 -42.38170 641.84116
1750.0000 -44.25379 -42.56305 1.69074 1.92534 -42.34085 647.24710
MELTING PROCESS: loop number 8 T-loop= 616.00000000000000
main_MD> interactions number 8 at Temperature= 616.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.74177 -1.68948 2.32589
force_rgl> df(natom) -0.28801 -1.31426 1.03106
1755.0000 -44.53482 -42.89199 1.64282 1.86110 -42.79827 612.46075
1760.0000 -44.43646 -43.03880 1.39766 1.79691 -43.25536 524.65160
1765.0000 -44.63116 -43.22320 1.40796 1.81709 -43.11163 554.78605
1770.0000 -44.64854 -43.53672 1.11182 1.83115 -43.01153 570.79580
1775.0000 -44.74008 -43.60238 1.13770 1.76331 -43.49459 471.99293
1780.0000 -43.84711 -42.32143 1.52568 1.86586 -42.76438 605.80229
1785.0000 -43.71745 -42.24625 1.47120 1.92358 -42.35342 565.27624
1790.0000 -44.00699 -42.62453 1.38246 1.89682 -42.54392 595.76262
1795.0000 -43.65913 -42.26599 1.39314 1.93362 -42.28193 597.17561
1800.0000 -44.12118 -42.12760 1.99358 1.97122 -42.01420 663.16288
1805.0000 -44.12558 -43.02485 1.10073 1.84221 -42.93276 574.08578
1810.0000 -44.24318 -42.98159 1.26159 1.78633 -43.33065 520.00526
1815.0000 -44.35107 -42.70353 1.64754 1.90383 -42.49403 651.63696
1820.0000 -44.61477 -42.96491 1.64987 1.87120 -42.72640 615.39952
1825.0000 -44.05335 -42.43837 1.61499 1.85981 -42.80748 547.59973
1830.0000 -43.53872 -41.99386 1.54486 1.90224 -42.50537 598.41399
1835.0000 -43.43182 -42.22494 1.20688 1.95920 -42.09976 612.98265
1840.0000 -43.57812 -41.87853 1.69959 1.98141 -41.94163 687.71685
1845.0000 -43.60563 -41.83464 1.77100 2.01650 -41.69176 715.54448
1850.0000 -43.65864 -42.60319 1.05545 1.95625 -42.12081 665.47870
1855.0000 -43.31725 -42.15241 1.16484 1.92042 -42.37588 605.50898
1860.0000 -43.95006 -42.61759 1.33247 1.90590 -42.47929 594.31204
1865.0000 -43.87995 -42.41044 1.46950 1.89100 -42.58541 588.78147
1870.0000 -44.29407 -42.89284 1.40124 1.89494 -42.55731 543.86599
1875.0000 -43.59011 -42.21438 1.37573 1.88921 -42.59815 557.71900
1880.0000 -43.91601 -42.34676 1.56925 1.97923 -41.95715 658.20988
1885.0000 -44.40857 -42.76049 1.64809 1.91625 -42.40562 580.32943
1890.0000 -43.47792 -42.06698 1.41094 1.92259 -42.36046 617.57555
1895.0000 -43.94428 -42.37831 1.56597 1.90929 -42.45515 558.96156
1900.0000 -43.80581 -42.39881 1.40699 1.89711 -42.54186 584.90720
1905.0000 -43.80907 -42.24714 1.56194 1.90240 -42.50424 591.44283
1910.0000 -43.71568 -42.46285 1.25282 1.94657 -42.18974 618.60409
1915.0000 -43.73791 -41.78189 1.95601 1.94551 -42.19723 615.84080
1920.0000 -43.76566 -42.20396 1.56170 1.99139 -41.87059 683.14267
1925.0000 -43.24381 -41.65546 1.58835 1.94792 -42.18010 656.92420
1930.0000 -42.69852 -41.29008 1.40844 2.04909 -41.45976 700.05489
1935.0000 -43.88284 -42.33276 1.55007 1.97972 -41.95369 691.76252
1940.0000 -44.01578 -42.46087 1.55491 1.95044 -42.16215 625.24676
1945.0000 -43.93579 -42.67068 1.26511 1.87995 -42.66409 578.76124
1950.0000 -43.95642 -42.44885 1.50757 1.88510 -42.62742 553.80558
1955.0000 -44.35081 -42.84855 1.50226 1.87930 -42.66867 532.75766
1960.0000 -44.55760 -43.01846 1.53914 1.87617 -42.69099 569.62436
1965.0000 -43.79733 -42.01477 1.78257 1.87748 -42.68165 574.52376
1970.0000 -43.99105 -42.66433 1.32671 1.97954 -41.95496 639.99644
1975.0000 -44.09716 -42.73390 1.36326 1.87210 -42.71994 512.28333
1980.0000 -43.43908 -41.84102 1.59806 1.96611 -42.05059 673.49095
1985.0000 -43.69799 -42.52894 1.16905 1.92810 -42.32120 657.87861
1990.0000 -43.73503 -41.70681 2.02822 1.96764 -42.03969 629.62914
1995.0000 -43.22483 -41.70591 1.51892 2.04270 -41.50519 764.25027
2000.0000 -44.12014 -41.87923 2.24091 1.97651 -41.97652 710.91580
MELTING PROCESS: loop number 9 T-loop= 641.00000000000000
main_MD> interactions number 9 at Temperature= 641.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.82879 4.58255 -0.30361
force_rgl> df(natom) 1.87828 -0.71157 -1.12290
2005.0000 -43.62450 -42.61747 1.00702 1.92276 -42.35922 633.48415
2010.0000 -43.56748 -42.18146 1.38602 1.96791 -42.03778 658.93950
2015.0000 -43.71792 -42.01985 1.69807 1.92872 -42.31677 675.30580
2020.0000 -43.41504 -41.88507 1.52997 1.99132 -41.87110 746.29885
2025.0000 -44.22940 -42.60355 1.62585 1.94085 -42.23043 643.40506
2030.0000 -43.74474 -42.55882 1.18592 1.87621 -42.69072 553.95088
2035.0000 -43.95256 -42.53604 1.41652 1.90168 -42.50932 559.11953
2040.0000 -43.83307 -42.04033 1.79274 1.94248 -42.21885 641.44681
2045.0000 -43.98321 -42.33829 1.64493 1.96749 -42.04076 713.72194
2050.0000 -43.75519 -42.59255 1.16264 1.88149 -42.65312 559.75071
2055.0000 -43.78678 -42.12490 1.66188 1.94235 -42.21978 619.69330
2060.0000 -43.57393 -41.35580 2.21813 2.00941 -41.74230 735.01892
2065.0000 -43.95793 -42.02125 1.93668 2.03093 -41.58904 763.01111
2070.0000 -43.51856 -41.38477 2.13379 2.01817 -41.67989 745.82958
2075.0000 -43.14809 -41.27228 1.87581 2.02395 -41.63871 689.58575
2080.0000 -43.33741 -41.94264 1.39476 2.04462 -41.49153 747.83995
2085.0000 -43.88391 -42.12837 1.75554 1.94765 -42.18205 634.81331
2090.0000 -43.48563 -42.29945 1.18618 1.93442 -42.27625 650.37891
2095.0000 -43.83866 -42.52033 1.31832 1.90392 -42.49336 567.74823
2100.0000 -44.28729 -42.67099 1.61630 1.84798 -42.89173 550.27562
2105.0000 -43.63463 -41.78545 1.84919 1.98281 -41.93169 677.87315
2110.0000 -43.89731 -42.79701 1.10030 1.89875 -42.53020 560.26579
2115.0000 -44.26086 -42.65698 1.60388 1.87059 -42.73075 560.35457
2120.0000 -44.11579 -42.88523 1.23056 1.83822 -42.96117 531.51541
2125.0000 -44.38762 -42.45355 1.93407 1.89285 -42.57220 563.70905
2130.0000 -43.99836 -42.99463 1.00373 1.88777 -42.60837 566.05366
2135.0000 -43.62050 -41.77891 1.84160 1.99271 -41.86120 716.31538
2140.0000 -43.43211 -41.77521 1.65690 2.00052 -41.80556 695.58552
2145.0000 -42.87152 -41.54200 1.32952 1.98911 -41.88681 661.03200
2150.0000 -43.71833 -42.00500 1.71334 2.00628 -41.76451 688.08078
2155.0000 -43.40037 -41.71912 1.68125 2.00447 -41.77747 712.62596
2160.0000 -43.61978 -42.00859 1.61118 1.95540 -42.12687 621.54654
2165.0000 -43.76280 -41.57708 2.18573 2.04965 -41.45571 770.06862
2170.0000 -43.87391 -42.13188 1.74203 2.02691 -41.61765 717.57509
2175.0000 -42.90215 -41.06735 1.83480 2.03723 -41.54414 783.36793
2180.0000 -43.66852 -42.23360 1.43493 2.01319 -41.71535 762.11401
2185.0000 -44.24426 -42.36440 1.87986 1.94194 -42.22271 620.78391
2190.0000 -43.59944 -41.92218 1.67726 1.92861 -42.31759 617.16967
2195.0000 -43.94067 -41.93401 2.00666 1.99026 -41.87860 691.91294
2200.0000 -44.23914 -42.89087 1.34827 1.91413 -42.42069 635.23996
2205.0000 -43.38309 -42.12210 1.26099 1.89104 -42.58513 586.25828
2210.0000 -43.32547 -41.59308 1.73239 2.00334 -41.78546 685.55028
2215.0000 -44.34254 -42.50783 1.83471 1.94297 -42.21531 672.24183
2220.0000 -43.84271 -42.23811 1.60460 1.89553 -42.55316 573.12930
2225.0000 -43.24940 -41.85254 1.39686 1.95452 -42.13312 644.22740
2230.0000 -43.43618 -42.31519 1.12099 1.99025 -41.87869 690.80012
2235.0000 -43.71095 -42.18031 1.53064 1.95808 -42.10772 677.86916
2240.0000 -43.46748 -41.59980 1.86767 2.00782 -41.75356 746.08092
2245.0000 -43.40303 -41.83618 1.56685 1.99661 -41.83341 682.79992
2250.0000 -44.17144 -42.69028 1.48116 1.90320 -42.49855 596.09224
MELTING PROCESS: loop number 10 T-loop= 666.00000000000000
main_MD> interactions number 10 at Temperature= 666.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.03172 1.08513 2.53834
force_rgl> df(natom) -0.65163 0.44427 -0.36407
2255.0000 -43.38417 -42.11478 1.26938 1.93481 -42.27346 688.57574
2260.0000 -44.22573 -42.46416 1.76157 1.97094 -42.01621 750.58188
2265.0000 -44.08829 -43.14501 0.94328 1.94646 -42.19051 699.33425
2270.0000 -43.68115 -42.26455 1.41660 1.91348 -42.42532 678.12316
2275.0000 -44.41437 -42.49914 1.91523 1.86844 -42.74605 613.61351
2280.0000 -44.32917 -42.85033 1.47884 1.86180 -42.79333 621.91627
2285.0000 -44.61758 -42.78570 1.83188 1.83237 -43.00284 582.30842
2290.0000 -43.35126 -42.06966 1.28160 1.91960 -42.38177 704.07091
2295.0000 -43.43477 -41.58606 1.84871 2.03347 -41.57091 810.50132
2300.0000 -43.98176 -42.22698 1.75479 1.93549 -42.26861 686.54060
2305.0000 -43.84757 -42.63429 1.21327 1.94412 -42.20714 686.52927
2310.0000 -43.82895 -42.40794 1.42100 1.92412 -42.34952 594.83228
2315.0000 -43.74435 -42.56029 1.18405 1.96905 -42.02961 655.67891
2320.0000 -43.91282 -42.11645 1.79637 1.93704 -42.25757 622.35201
2325.0000 -43.67888 -42.19203 1.48685 1.92355 -42.35361 596.07598
2330.0000 -43.28064 -41.70459 1.57605 1.94284 -42.21623 629.41013
2335.0000 -43.60649 -42.08334 1.52315 1.98048 -41.94826 662.08612
2340.0000 -43.82193 -42.45243 1.36949 1.93075 -42.30232 649.03458
2345.0000 -44.03618 -42.27626 1.75992 1.92851 -42.31832 630.41132
2350.0000 -44.15316 -42.55445 1.59870 1.93662 -42.26056 599.57507
2355.0000 -43.76688 -41.99660 1.77028 1.89304 -42.57084 590.23477
2360.0000 -43.63072 -42.41384 1.21687 1.94993 -42.16578 628.67906
2365.0000 -43.56049 -42.19535 1.36514 1.93178 -42.29502 619.94134
2370.0000 -43.65604 -41.88846 1.76757 1.96369 -42.06782 657.34758
2375.0000 -43.21940 -41.61854 1.60086 1.99022 -41.87893 665.24807
2380.0000 -43.88556 -42.20190 1.68366 2.01781 -41.68246 735.30444
2385.0000 -43.18977 -41.94658 1.24319 1.98673 -41.90374 696.03650
2390.0000 -43.62881 -41.87828 1.75053 2.02660 -41.61985 735.15624
2395.0000 -44.11248 -42.06241 2.05006 1.98343 -41.92722 673.50795
2400.0000 -43.74136 -42.39872 1.34265 2.01335 -41.71424 728.93186
2405.0000 -43.72212 -42.70385 1.01827 1.92990 -42.30840 611.24605
2410.0000 -43.93571 -42.39520 1.54051 1.90575 -42.48034 589.48115
2415.0000 -43.56097 -41.87634 1.68463 1.92443 -42.34738 638.48001
2420.0000 -42.89079 -41.64081 1.24998 1.96866 -42.03240 682.91776
2425.0000 -43.67872 -42.12148 1.55724 1.97783 -41.96714 655.14638
2430.0000 -43.44073 -42.08627 1.35447 1.96305 -42.07234 669.88542
2435.0000 -42.98225 -41.47006 1.51219 1.97932 -41.95653 685.12374
2440.0000 -43.84830 -41.94158 1.90672 2.00452 -41.77708 729.55394
2445.0000 -44.00072 -42.18807 1.81265 1.97436 -41.99187 687.38891
2450.0000 -43.72348 -42.18227 1.54121 1.95611 -42.12181 669.47477
2455.0000 -43.82449 -42.49810 1.32639 1.90054 -42.51742 614.40367
2460.0000 -43.59465 -42.28132 1.31333 1.93069 -42.30278 650.37942
2465.0000 -43.86209 -41.76228 2.09981 1.96782 -42.03839 644.62905
2470.0000 -43.95413 -42.39014 1.56399 1.96943 -42.02692 632.70753
2475.0000 -43.40202 -41.80748 1.59453 1.99107 -41.87287 690.52934
2480.0000 -42.62656 -41.38106 1.24550 2.01311 -41.71595 628.17009
2485.0000 -43.96832 -42.40030 1.56802 1.98063 -41.94720 668.59703
2490.0000 -43.37157 -41.67732 1.69426 1.91947 -42.38267 603.62724
2495.0000 -43.64719 -42.22750 1.41970 1.96847 -42.03374 668.31311
2500.0000 -43.01756 -41.28828 1.72929 1.95822 -42.10675 684.94461
MELTING PROCESS: loop number 11 T-loop= 691.00000000000000
main_MD> interactions number 11 at Temperature= 691.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.82629 0.91910 0.71080
force_rgl> df(natom) -2.80200 -1.86361 -1.38176
2505.0000 -43.11522 -40.78920 2.32601 2.07260 -41.29229 801.03886
2510.0000 -42.87672 -41.54396 1.33277 2.10025 -41.09545 829.41555
2515.0000 -43.79469 -41.99778 1.79692 2.03871 -41.53367 714.96533
2520.0000 -43.62255 -41.89954 1.72300 1.94986 -42.16629 658.46189
2525.0000 -43.71749 -41.73095 1.98654 2.02871 -41.60484 745.78784
2530.0000 -43.20159 -42.25439 0.94720 2.02453 -41.63462 709.62417
2535.0000 -43.96231 -42.45057 1.51175 1.92722 -42.32752 588.16326
2540.0000 -44.06105 -42.68311 1.37794 1.90323 -42.49827 599.46387
2545.0000 -43.61177 -42.11220 1.49956 1.94625 -42.19198 643.18236
2550.0000 -44.29589 -42.40792 1.88797 1.95273 -42.14581 627.50369
2555.0000 -43.75341 -42.04812 1.70528 1.97560 -41.98299 665.77610
2560.0000 -43.88018 -42.58364 1.29654 1.91660 -42.40307 653.36565
2565.0000 -43.73973 -41.98135 1.75837 1.90717 -42.47028 607.74635
2570.0000 -43.91643 -42.05185 1.86458 1.97337 -41.99887 697.96908
2575.0000 -43.69128 -42.29140 1.39988 2.00076 -41.80385 712.97149
2580.0000 -43.37646 -41.35511 2.02136 2.00051 -41.80563 704.47037
2585.0000 -43.38274 -41.82250 1.56024 2.05284 -41.43301 750.85120
2590.0000 -43.09784 -41.17389 1.92394 2.03009 -41.59500 736.31185
2595.0000 -42.98866 -41.14586 1.84281 2.12073 -40.94961 837.30309
2600.0000 -43.25196 -41.50733 1.74462 2.07818 -41.25261 741.25979
2605.0000 -43.39606 -41.99264 1.40343 1.98853 -41.89092 672.56314
2610.0000 -42.67795 -40.91778 1.76017 2.08306 -41.21785 816.30200
2615.0000 -43.75319 -41.61561 2.13758 2.09846 -41.10818 839.69773
2620.0000 -43.11617 -41.72649 1.38968 2.05667 -41.40575 781.61375
2625.0000 -43.27435 -41.71007 1.56428 2.02848 -41.60646 732.77545
2630.0000 -43.23219 -41.12662 2.10557 2.09362 -41.14266 803.30630
2635.0000 -42.88970 -41.50435 1.38536 2.06893 -41.31845 792.18626
2640.0000 -43.35602 -42.02942 1.32660 1.98424 -41.92147 648.69538
2645.0000 -43.60721 -42.17872 1.42850 1.97095 -42.01614 629.11486
2650.0000 -43.83113 -42.79698 1.03415 1.88066 -42.65901 549.19540
2655.0000 -43.71047 -42.14029 1.57018 1.91172 -42.43784 603.42286
2660.0000 -44.38802 -42.76990 1.61812 1.91762 -42.39582 650.55396
2665.0000 -43.23827 -41.62616 1.61211 1.98301 -41.93025 750.58314
2670.0000 -43.31832 -41.25647 2.06185 2.11609 -40.98267 855.80205
2675.0000 -43.03432 -41.04595 1.98836 2.11795 -40.96944 857.02573
2680.0000 -44.07239 -42.44946 1.62293 2.02223 -41.65096 778.40789
2685.0000 -43.42708 -41.92524 1.50184 1.91395 -42.42194 613.74996
2690.0000 -43.15755 -40.58027 2.57728 2.09321 -41.14560 811.25868
2695.0000 -43.12003 -41.25324 1.86679 2.09186 -41.15522 792.46212
2700.0000 -43.49848 -41.70015 1.79833 2.02723 -41.61535 737.38124
2705.0000 -43.72457 -42.35873 1.36585 1.97788 -41.96679 670.84111
2710.0000 -43.24109 -41.88770 1.35339 1.94847 -42.17619 649.24777
2715.0000 -43.48018 -41.78385 1.69633 1.98965 -41.88294 708.95297
2720.0000 -43.82060 -41.76256 2.05803 1.99722 -41.82904 730.36035
2725.0000 -43.58508 -42.28518 1.29990 1.94340 -42.21229 656.88728
2730.0000 -44.67193 -43.39648 1.27545 1.89155 -42.58149 655.36244
2735.0000 -43.74912 -42.24855 1.50057 1.84294 -42.92759 597.96827
2740.0000 -43.99987 -42.25716 1.74271 1.91954 -42.38219 705.91350
2745.0000 -43.52633 -41.70149 1.82484 1.96114 -42.08599 605.36060
2750.0000 -43.59352 -42.10216 1.49136 1.97037 -42.02025 647.71920
MELTING PROCESS: loop number 12 T-loop= 716.00000000000000
main_MD> interactions number 12 at Temperature= 716.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -3.46799 -0.81905 -0.98698
force_rgl> df(natom) -2.20278 -0.97398 1.57954
2755.0000 -43.51385 -41.70018 1.81367 1.96660 -42.04711 689.32776
2760.0000 -42.60028 -40.58479 2.01549 2.11847 -40.96568 803.80392
2765.0000 -43.39452 -41.48738 1.90714 2.11872 -40.96395 799.70391
2770.0000 -43.45478 -41.28662 2.16816 2.06397 -41.35377 808.74931
2775.0000 -43.77571 -42.22606 1.54965 2.03569 -41.55511 736.52127
2780.0000 -43.30413 -40.96081 2.34332 2.01298 -41.71684 717.18048
2785.0000 -43.71733 -41.58762 2.12971 2.03409 -41.56653 753.27713
2790.0000 -43.77721 -41.89559 1.88161 2.00067 -41.80449 702.64417
2795.0000 -44.13707 -42.55144 1.58563 1.94206 -42.22183 721.11457
2800.0000 -43.75355 -42.10951 1.64404 1.92008 -42.37829 638.61104
2805.0000 -44.15557 -42.06179 2.09378 1.96457 -42.06151 732.05662
2810.0000 -43.72108 -42.16800 1.55308 1.99275 -41.86085 667.45709
2815.0000 -43.22592 -41.29673 1.92919 1.99923 -41.81478 712.82042
2820.0000 -43.92770 -41.73835 2.18935 2.06022 -41.38049 797.43709
2825.0000 -43.64747 -42.21944 1.42803 2.00672 -41.76140 715.63201
2830.0000 -43.83880 -42.05042 1.78838 1.92572 -42.33817 636.97101
2835.0000 -43.82624 -42.43359 1.39264 1.94212 -42.22137 643.38184
2840.0000 -43.68884 -42.40127 1.28757 1.94150 -42.22577 665.75056
2845.0000 -43.57488 -42.01033 1.56454 1.97316 -42.00034 699.79532
2850.0000 -43.42066 -41.61915 1.80151 2.01998 -41.66701 711.16307
2855.0000 -43.48223 -41.53278 1.94945 2.05145 -41.44291 762.65431
2860.0000 -43.25034 -41.41611 1.83423 2.02821 -41.60839 727.22785
2865.0000 -43.77540 -41.45609 2.31931 2.07587 -41.26902 826.71627
2870.0000 -42.80459 -41.04188 1.76271 2.09172 -41.15615 762.86865
2875.0000 -43.15485 -41.52375 1.63110 2.06221 -41.36633 729.14533
2880.0000 -43.09521 -40.82437 2.27084 2.12568 -40.91438 815.49511
2885.0000 -43.33914 -41.63738 1.70177 2.15621 -40.69699 919.98368
2890.0000 -43.36550 -42.09445 1.27105 2.00528 -41.77167 664.67977
2895.0000 -43.98178 -42.09023 1.89155 1.94975 -42.16707 623.10671
2900.0000 -43.38528 -41.87154 1.51374 1.96625 -42.04960 679.30761
2905.0000 -43.66830 -42.29463 1.37367 1.92702 -42.32890 620.92914
2910.0000 -43.90087 -42.51413 1.38674 1.93918 -42.24232 610.04677
2915.0000 -43.22268 -41.49413 1.72855 1.95725 -42.11366 658.18998
2920.0000 -43.45787 -41.69033 1.76754 2.03269 -41.57651 756.35396
2925.0000 -43.65565 -41.88172 1.77393 2.03200 -41.58144 759.67564
2930.0000 -42.74019 -41.05306 1.68713 2.03879 -41.53303 784.62566
2935.0000 -42.63273 -40.50974 2.12300 2.14572 -40.77172 851.44778
2940.0000 -43.19494 -41.22959 1.96535 2.15510 -40.70491 896.03444
2945.0000 -43.23305 -41.74849 1.48456 2.02213 -41.65167 740.41748
2950.0000 -44.01397 -42.14674 1.86722 2.05538 -41.41496 755.27155
2955.0000 -43.66089 -42.32751 1.33338 1.95666 -42.11787 616.78717
2960.0000 -42.83294 -41.08299 1.74995 2.00973 -41.73998 707.77002
2965.0000 -43.31462 -41.48730 1.82732 2.08868 -41.17781 812.94755
2970.0000 -43.72746 -41.51383 2.21364 2.04519 -41.48753 788.38125
2975.0000 -42.65155 -40.74660 1.90495 2.15029 -40.73914 856.60761
2980.0000 -43.46568 -41.24837 2.21730 2.13370 -40.85730 878.61282
2985.0000 -42.55296 -40.99318 1.55978 2.09516 -41.13166 824.00942
2990.0000 -43.57862 -42.26647 1.31216 2.04424 -41.49427 721.95714
2995.0000 -44.01225 -41.93246 2.07979 1.99092 -41.87391 675.27701
3000.0000 -44.50021 -42.83636 1.66384 1.92089 -42.37256 679.28976
MELTING PROCESS: loop number 13 T-loop= 741.00000000000000
main_MD> interactions number 13 at Temperature= 741.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.70876 0.09654 -1.21301
force_rgl> df(natom) 2.85613 -1.70021 1.49358
3005.0000 -43.19674 -41.90788 1.28886 1.90942 -42.45425 658.68730
3010.0000 -43.20865 -41.39317 1.81548 2.03714 -41.54480 710.68424
3015.0000 -42.59530 -40.66008 1.93521 2.12501 -40.91916 835.00982
3020.0000 -43.30515 -41.34541 1.95974 2.06806 -41.32466 792.78463
3025.0000 -43.29209 -41.26984 2.02225 2.08811 -41.18189 831.16501
3030.0000 -43.30424 -41.04567 2.25857 2.07263 -41.29214 762.04215
3035.0000 -42.85851 -41.37714 1.48137 2.06596 -41.33962 800.66684
3040.0000 -43.63318 -41.96988 1.66329 1.95699 -42.11554 653.44660
3045.0000 -42.84580 -41.25592 1.58988 2.03115 -41.58746 727.33987
3050.0000 -42.82333 -41.08020 1.74313 2.09919 -41.10302 808.06648
3055.0000 -43.11796 -40.68878 2.42918 2.10083 -41.09129 847.80529
3060.0000 -43.23301 -40.93397 2.29904 2.12628 -40.91010 854.97990
3065.0000 -43.59705 -41.27344 2.32361 2.12352 -40.92976 830.00081
3070.0000 -43.83970 -41.70287 2.13684 2.02904 -41.60249 804.29144
3075.0000 -44.15012 -42.23575 1.91437 1.98364 -41.92576 690.24757
3080.0000 -44.00589 -41.80251 2.20337 1.96320 -42.07131 670.81008
3085.0000 -43.90564 -42.06841 1.83723 2.00168 -41.79728 739.79273
3090.0000 -42.88810 -41.70564 1.18246 1.96176 -42.08154 654.70533
3095.0000 -43.21258 -41.08988 2.12270 2.07006 -41.31040 761.69737
3100.0000 -43.64945 -41.25404 2.39541 2.08063 -41.23514 804.27838
3105.0000 -43.03192 -41.03107 2.00085 2.07318 -41.28821 791.10592
3110.0000 -43.62620 -41.78150 1.84470 2.07582 -41.26943 801.13126
3115.0000 -43.90188 -41.68287 2.21901 2.02842 -41.60691 780.71774
3120.0000 -43.58070 -42.17355 1.40715 2.02532 -41.62899 732.48983
3125.0000 -43.12380 -41.15114 1.97266 1.99761 -41.82626 706.07432
3130.0000 -42.81249 -41.13051 1.68197 2.05776 -41.39802 778.12832
3135.0000 -43.44985 -41.39835 2.05150 2.07763 -41.25651 780.28208
3140.0000 -42.69250 -40.51874 2.17376 2.06002 -41.38191 771.17786
3145.0000 -43.57610 -41.45661 2.11948 2.14742 -40.75956 885.16514
3150.0000 -43.32502 -41.79566 1.52936 2.01107 -41.73043 719.55655
3155.0000 -42.71796 -41.48141 1.23655 2.03829 -41.53666 716.80880
3160.0000 -43.76501 -41.90755 1.85747 1.98741 -41.89892 684.39469
3165.0000 -43.64431 -41.26115 2.38316 1.97605 -41.97981 673.73533
3170.0000 -43.23508 -41.23599 1.99909 2.09398 -41.14013 825.24871
3175.0000 -43.98748 -41.98431 2.00317 2.00284 -41.78903 685.59432
3180.0000 -43.34179 -41.37801 1.96378 2.03123 -41.58692 718.31438
3185.0000 -44.11104 -42.13518 1.97586 1.98199 -41.93753 707.22351
3190.0000 -43.71472 -41.83815 1.87657 2.03756 -41.54182 786.81675
3195.0000 -44.02839 -42.01942 2.00897 1.95482 -42.13095 675.05378
3200.0000 -43.38340 -41.51202 1.87139 1.94289 -42.21592 590.50028
3205.0000 -43.82357 -41.80035 2.02321 1.98911 -41.88683 672.46177
3210.0000 -42.65364 -40.96195 1.69169 2.02459 -41.63416 711.55453
3215.0000 -43.57894 -41.31819 2.26075 2.03257 -41.57735 772.20663
3220.0000 -43.43409 -41.51298 1.92111 2.05929 -41.38712 806.42083
3225.0000 -43.17828 -40.60980 2.56849 2.11900 -40.96192 817.55943
3230.0000 -43.48224 -41.55880 1.92344 2.08420 -41.20971 799.03713
3235.0000 -43.74106 -41.80932 1.93174 2.01548 -41.69908 721.04741
3240.0000 -44.42214 -42.72676 1.69538 1.92367 -42.35274 628.70935
3245.0000 -42.72823 -40.65741 2.07082 2.04398 -41.49614 773.20407
3250.0000 -43.72957 -41.64647 2.08310 2.12193 -40.94106 844.62099
MELTING PROCESS: loop number 14 T-loop= 766.00000000000000
main_MD> interactions number 14 at Temperature= 766.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -2.42719 2.87964 0.68804
force_rgl> df(natom) 1.36223 -1.70395 1.46748
3255.0000 -43.50650 -41.49043 2.01607 2.04965 -41.45574 775.50138
3260.0000 -43.39565 -41.43147 1.96419 2.06519 -41.34511 810.50746
3265.0000 -43.75667 -42.16134 1.59533 2.05962 -41.38475 749.54613
3270.0000 -42.78344 -41.32296 1.46048 1.98311 -41.92955 633.40823
3275.0000 -43.49908 -41.32317 2.17592 2.10901 -41.03311 783.63495
3280.0000 -43.66272 -41.55710 2.10563 2.04733 -41.47228 797.35717
3285.0000 -42.89776 -40.77075 2.12701 2.10663 -41.05002 826.20343
3290.0000 -42.08131 -40.35580 1.72551 2.17548 -40.55981 870.78773
3295.0000 -42.75653 -40.55791 2.19862 2.21527 -40.27644 956.89184
3300.0000 -43.33126 -41.56739 1.76387 2.03149 -41.58507 727.31475
3305.0000 -42.27893 -40.44911 1.82982 2.13487 -40.84895 820.69162
3310.0000 -43.07206 -41.50392 1.56814 2.12896 -40.89106 842.89248
3315.0000 -43.02532 -41.33357 1.69175 2.10006 -41.09680 807.72606
3320.0000 -43.78332 -41.93338 1.84994 2.05830 -41.39414 787.17983
3325.0000 -43.97323 -42.25741 1.71582 1.99612 -41.83687 721.63134
3330.0000 -44.11258 -42.62016 1.49242 1.92208 -42.36411 606.80370
3335.0000 -43.50844 -41.77338 1.73507 1.96879 -42.03148 641.19367
3340.0000 -43.03548 -41.48558 1.54990 2.00437 -41.77812 700.22492
3345.0000 -42.94845 -41.56135 1.38710 2.06818 -41.32379 766.34416
3350.0000 -43.13501 -41.26137 1.87364 2.07990 -41.24034 755.91569
3355.0000 -43.75646 -41.83794 1.91851 2.02328 -41.64347 759.29787
3360.0000 -43.35847 -41.45891 1.89957 2.03687 -41.54671 757.06912
3365.0000 -43.29694 -41.51933 1.77761 2.08285 -41.21934 746.59626
3370.0000 -43.09329 -41.33593 1.75736 2.11203 -41.01160 795.71324
3375.0000 -43.75329 -41.54117 2.21212 2.05618 -41.40922 742.15140
3380.0000 -43.38210 -41.87247 1.50963 1.98010 -41.95097 671.82635
3385.0000 -42.83173 -41.23079 1.60094 2.03149 -41.58508 730.06642
3390.0000 -43.28417 -41.67071 1.61346 2.03896 -41.53185 723.19775
3395.0000 -43.56172 -41.47020 2.09153 2.00814 -41.75131 682.68364
3400.0000 -43.52021 -41.43593 2.08428 2.08370 -41.21329 795.21361
3405.0000 -43.51329 -41.23607 2.27722 2.08599 -41.19699 800.30156
3410.0000 -43.65493 -41.60239 2.05254 2.00855 -41.74837 707.16377
3415.0000 -43.47608 -41.59219 1.88390 2.04647 -41.47838 767.19050
3420.0000 -43.66882 -41.76202 1.90680 1.96464 -42.06105 668.77710
3425.0000 -43.41565 -42.08179 1.33386 1.97187 -42.00953 705.01472
3430.0000 -43.42402 -41.81164 1.61237 1.93976 -42.23817 619.90968
3435.0000 -43.12786 -41.58770 1.54016 2.01859 -41.67688 693.44770
3440.0000 -44.01791 -41.28448 2.73343 2.00539 -41.77089 693.00290
3445.0000 -43.56149 -41.42696 2.13453 2.06414 -41.35254 801.45424
3450.0000 -42.53409 -41.15171 1.38238 2.09330 -41.14494 747.01455
3455.0000 -42.74354 -40.87965 1.86390 2.08140 -41.22968 707.49562
3460.0000 -43.11284 -40.73689 2.37594 2.11685 -40.97727 800.28441
3465.0000 -44.09819 -41.81591 2.28229 2.10081 -41.09147 836.20270
3470.0000 -42.60101 -40.63225 1.96876 2.05131 -41.44395 778.34725
3475.0000 -43.58254 -41.64523 1.93731 2.12564 -40.91463 804.55527
3480.0000 -43.45893 -42.15809 1.30083 1.96216 -42.07869 668.26498
3485.0000 -43.72322 -41.86035 1.86287 1.92295 -42.35790 636.99212
3490.0000 -43.32250 -41.91588 1.40662 1.97342 -41.99849 711.81181
3495.0000 -43.08038 -41.06231 2.01807 2.03486 -41.56102 716.30206
3500.0000 -42.52031 -41.17189 1.34842 2.10249 -41.07952 816.83582
MELTING PROCESS: loop number 15 T-loop= 791.00000000000000
main_MD> interactions number 15 at Temperature= 791.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.26391 -1.29822 -3.03921
force_rgl> df(natom) -1.34167 -0.69089 -0.53520
3505.0000 -42.50025 -41.21770 1.28255 2.03627 -41.55104 717.98425
3510.0000 -43.22425 -41.87588 1.34837 2.07275 -41.29123 761.39066
3515.0000 -42.72770 -41.13246 1.59524 2.08857 -41.17860 796.66072
3520.0000 -43.65118 -41.88781 1.76336 2.01652 -41.69167 722.33099
3525.0000 -44.26536 -42.15077 2.11458 1.96555 -42.05459 708.78828
3530.0000 -44.12416 -41.98442 2.13974 1.94668 -42.18892 728.55007
3535.0000 -43.41529 -41.48238 1.93291 1.99161 -41.86902 773.82230
3540.0000 -43.27732 -41.82867 1.44864 2.01278 -41.71830 710.74404
3545.0000 -43.01658 -41.16005 1.85653 1.98609 -41.90828 663.84838
3550.0000 -43.01101 -41.03034 1.98066 2.09235 -41.15169 785.17976
3555.0000 -43.72173 -41.16757 2.55416 2.12742 -40.90196 872.16297
3560.0000 -42.82678 -40.96307 1.86371 2.10643 -41.05144 831.70500
3565.0000 -43.04329 -40.97696 2.06633 2.13654 -40.83707 859.99291
3570.0000 -42.98126 -40.80995 2.17130 2.14658 -40.76555 860.05063
3575.0000 -43.20386 -41.19531 2.00855 2.13480 -40.84946 838.70801
3580.0000 -43.34957 -41.13954 2.21004 2.08851 -41.17901 822.59741
3585.0000 -43.02762 -41.12497 1.90265 2.07055 -41.30691 784.51539
3590.0000 -42.56998 -40.57962 1.99036 2.11768 -40.97132 812.85760
3595.0000 -43.44403 -41.36788 2.07615 2.13028 -40.88162 845.75159
3600.0000 -43.18991 -41.01227 2.17764 2.12638 -40.90941 908.19994
3605.0000 -42.59037 -39.87905 2.71133 2.19257 -40.43806 955.86410
3610.0000 -42.98661 -40.89297 2.09364 2.24901 -40.03621 973.36437
3615.0000 -43.68067 -41.74320 1.93747 2.07158 -41.29960 823.61170
3620.0000 -42.81043 -40.57896 2.23147 2.10689 -41.04814 830.55821
3625.0000 -42.26205 -40.52755 1.73450 2.12272 -40.93542 822.85277
3630.0000 -42.64862 -40.55732 2.09130 2.16284 -40.64981 887.43313
3635.0000 -42.50818 -40.44581 2.06237 2.12202 -40.94042 853.03016
3640.0000 -43.34532 -41.79053 1.55479 2.16058 -40.66590 922.77935
3645.0000 -43.57246 -41.75662 1.81584 2.00372 -41.78276 730.65127
3650.0000 -42.13773 -40.40813 1.72959 2.10827 -41.03833 766.68563
3655.0000 -42.55143 -40.05171 2.49972 2.22025 -40.24100 927.86496
3660.0000 -43.28277 -40.77795 2.50482 2.18866 -40.46591 930.48940
3665.0000 -43.29825 -40.81132 2.48693 2.15400 -40.71269 899.82406
3670.0000 -42.90172 -40.72868 2.17303 2.18371 -40.50120 929.54622
3675.0000 -42.03845 -40.29093 1.74752 2.15871 -40.67917 861.95253
3680.0000 -43.13640 -41.27485 1.86155 2.14005 -40.81203 849.42943
3685.0000 -43.74118 -42.15971 1.58147 2.02369 -41.64056 769.74765
3690.0000 -42.65490 -40.89250 1.76240 2.01637 -41.69269 723.89861
3695.0000 -44.03498 -42.00105 2.03393 2.02820 -41.60844 742.70423
3700.0000 -43.08971 -41.34233 1.74738 2.02917 -41.60156 719.60279
3705.0000 -43.33976 -41.77091 1.56885 2.01791 -41.68174 730.33492
3710.0000 -43.01395 -41.33506 1.67888 2.02655 -41.62021 742.16162
3715.0000 -41.96228 -39.65982 2.30246 2.17810 -40.54111 932.54898
3720.0000 -42.69089 -41.49195 1.19894 2.15570 -40.70064 856.64273
3725.0000 -42.94517 -41.26859 1.67658 2.10611 -41.05374 842.30611
3730.0000 -43.11890 -41.13515 1.98374 2.05779 -41.39781 870.84131
3735.0000 -42.26151 -40.03418 2.22733 2.19828 -40.39744 932.85733
3740.0000 -43.06171 -41.02500 2.03670 2.18556 -40.48800 953.92412
3745.0000 -42.96093 -40.40234 2.55860 2.08087 -41.23346 801.13690
3750.0000 -42.32288 -40.83597 1.48691 2.14459 -40.77975 871.20290
MELTING PROCESS: loop number 16 T-loop= 816.00000000000000
main_MD> interactions number 16 at Temperature= 816.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.27859 1.40463 0.96293
force_rgl> df(natom) -0.97676 1.30030 -2.06052
3755.0000 -43.69910 -41.38540 2.31370 2.07881 -41.24813 701.75481
3760.0000 -43.18701 -40.74316 2.44384 2.05534 -41.41519 801.37044
3765.0000 -42.74399 -40.20777 2.53622 2.11919 -40.96060 829.23877
3770.0000 -43.67458 -41.95927 1.71531 2.11186 -41.01280 781.67284
3775.0000 -43.09589 -41.32771 1.76819 1.98787 -41.89565 680.49736
3780.0000 -43.74277 -41.95681 1.78596 2.02005 -41.66654 687.76547
3785.0000 -42.75003 -40.47155 2.27848 2.06127 -41.37302 752.78418
3790.0000 -42.25516 -40.47187 1.78328 2.14373 -40.78588 852.36936
3795.0000 -42.65394 -40.37436 2.27958 2.20819 -40.32684 918.13532
3800.0000 -43.58152 -41.54053 2.04099 2.04106 -41.51690 752.14795
3805.0000 -43.06072 -41.08375 1.97697 2.06720 -41.33079 748.32884
3810.0000 -42.78216 -40.48011 2.30204 2.13406 -40.85470 905.60514
3815.0000 -42.77085 -40.75186 2.01900 2.18260 -40.50906 1000.56454
3820.0000 -43.18278 -40.75217 2.43061 2.18985 -40.45748 982.24548
3825.0000 -43.27118 -41.52392 1.74726 2.07471 -41.27727 779.10380
3830.0000 -43.37080 -41.53257 1.83823 2.02144 -41.65660 739.21385
3835.0000 -42.72512 -40.88804 1.83708 2.11493 -40.99092 814.37680
3840.0000 -43.57041 -41.78815 1.78225 2.08892 -41.17613 890.87554
3845.0000 -42.95507 -41.10063 1.85444 2.05291 -41.43256 745.83444
3850.0000 -43.39374 -40.82017 2.57357 2.06489 -41.34723 781.42029
3855.0000 -42.70784 -40.72618 1.98166 2.12527 -40.91732 828.13930
3860.0000 -42.97203 -41.37067 1.60137 2.07169 -41.29881 766.15820
3865.0000 -42.63255 -41.32497 1.30758 2.06503 -41.34625 756.29010
3870.0000 -43.21295 -41.57175 1.64121 2.04030 -41.52231 741.47344
3875.0000 -43.22999 -41.32585 1.90415 2.04941 -41.45747 762.11418
3880.0000 -43.01270 -41.47662 1.53609 2.10244 -41.07982 833.50599
3885.0000 -43.40562 -41.45914 1.94647 2.10116 -41.08896 830.27792
3890.0000 -43.38887 -40.93673 2.45213 2.12894 -40.89118 860.42150
3895.0000 -43.49620 -41.59107 1.90513 2.05960 -41.38491 792.41261
3900.0000 -42.70671 -40.98928 1.71743 2.07526 -41.27340 764.58002
3905.0000 -44.16660 -42.15003 2.01657 2.05244 -41.43589 777.41665
3910.0000 -43.77490 -42.43934 1.33556 1.98819 -41.89334 685.72017
3915.0000 -42.62836 -40.47058 2.15778 2.05330 -41.42975 777.04332
3920.0000 -42.64757 -40.61399 2.03358 2.17457 -40.56623 928.31823
3925.0000 -42.73467 -41.32801 1.40667 2.08412 -41.21027 839.94889
3930.0000 -43.95981 -42.26703 1.69278 1.97305 -42.00119 696.96810
3935.0000 -43.30716 -41.40948 1.89768 1.96774 -42.03898 663.61227
3940.0000 -42.66972 -40.18686 2.48285 2.11401 -40.99750 859.19738
3945.0000 -42.49127 -40.36521 2.12605 2.20987 -40.31494 889.74268
3950.0000 -42.94971 -40.87098 2.07873 2.10634 -41.05211 876.87407
3955.0000 -42.33088 -40.47361 1.85728 2.20726 -40.33348 879.46624
3960.0000 -42.32086 -40.25920 2.06166 2.17855 -40.53794 895.62720
3965.0000 -42.74699 -40.47377 2.27323 2.21612 -40.27039 959.32823
3970.0000 -42.87581 -40.69377 2.18204 2.19417 -40.42670 938.78261
3975.0000 -42.81093 -40.88777 1.92316 2.16167 -40.65809 884.94605
3980.0000 -43.57329 -41.56218 2.01111 2.08732 -41.18752 826.53900
3985.0000 -43.20589 -41.55123 1.65466 1.99031 -41.87824 713.28989
3990.0000 -43.31436 -41.17616 2.13820 2.05831 -41.39406 797.56824
3995.0000 -42.59281 -41.08255 1.51027 2.10091 -41.09076 809.37011
4000.0000 -43.43936 -41.56701 1.87234 2.09277 -41.14867 807.25972
MELTING PROCESS: loop number 17 T-loop= 841.00000000000000
main_MD> interactions number 17 at Temperature= 841.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.91820 0.35016 -1.46990
force_rgl> df(natom) 0.48964 -0.46899 -1.04409
4005.0000 -43.32531 -41.50422 1.82109 2.04370 -41.49813 775.55325
4010.0000 -42.66822 -39.85553 2.81269 2.16462 -40.63710 872.73813
4015.0000 -42.61976 -40.60597 2.01379 2.20222 -40.36940 939.15122
4020.0000 -42.61282 -39.97126 2.64156 2.18432 -40.49681 919.11066
4025.0000 -42.44833 -39.93074 2.51759 2.27180 -39.87396 1013.05037
4030.0000 -43.40182 -41.12432 2.27750 2.11343 -41.00157 798.04655
4035.0000 -42.52724 -40.11815 2.40909 2.16494 -40.63485 847.85861
4040.0000 -42.46809 -40.96719 1.50090 2.14780 -40.75685 844.36624
4045.0000 -42.67202 -41.10336 1.56866 2.11765 -40.97156 860.66440
4050.0000 -43.27408 -40.98663 2.28745 2.08340 -41.21546 771.40997
4055.0000 -42.57135 -40.44162 2.12973 2.13075 -40.87825 828.42670
4060.0000 -42.99885 -40.99345 2.00540 2.19940 -40.38948 879.04662
4065.0000 -43.74822 -41.52704 2.22118 2.03757 -41.54175 775.91498
4070.0000 -42.73188 -40.39840 2.33348 2.04562 -41.48444 773.97429
4075.0000 -42.59728 -40.75242 1.84487 2.19578 -40.41527 957.14143
4080.0000 -43.20931 -41.71466 1.49465 2.04199 -41.51026 756.37804
4085.0000 -43.82473 -41.52897 2.29576 2.00154 -41.79833 676.16174
4090.0000 -43.72661 -41.46978 2.25683 2.01549 -41.69899 682.08056
4095.0000 -43.16916 -41.91167 1.25749 2.02102 -41.65963 723.96001
4100.0000 -43.19640 -40.92542 2.27098 2.04374 -41.49783 777.78429
4105.0000 -42.69681 -40.67855 2.01826 2.10267 -41.07821 782.23612
4110.0000 -43.35051 -40.84674 2.50378 2.19240 -40.43933 921.73360
4115.0000 -43.01456 -40.61475 2.39981 2.16202 -40.65562 900.92766
4120.0000 -42.64292 -41.21972 1.42321 2.04886 -41.46140 761.34035
4125.0000 -43.54801 -41.92529 1.62272 2.03861 -41.53436 719.37189
4130.0000 -42.73322 -40.66489 2.06833 2.08856 -41.17869 857.04621
4135.0000 -42.63155 -40.54384 2.08772 2.15167 -40.72932 874.69620
4140.0000 -43.15341 -41.21034 1.94308 2.14811 -40.75463 878.93446
4145.0000 -42.67133 -40.13691 2.53442 2.17029 -40.59671 923.29885
4150.0000 -42.54420 -40.73360 1.81060 2.15131 -40.73191 869.04729
4155.0000 -43.89771 -41.63546 2.26225 2.07840 -41.25101 853.76999
4160.0000 -43.05491 -41.16623 1.88868 2.03862 -41.53429 748.56791
4165.0000 -42.87751 -40.51581 2.36170 2.09596 -41.12602 826.56047
4170.0000 -42.50206 -40.13687 2.36519 2.20869 -40.32334 945.72235
4175.0000 -43.18486 -40.31387 2.87099 2.21023 -40.31233 956.30485
4180.0000 -43.48379 -41.33935 2.14444 2.15307 -40.71935 902.40161
4185.0000 -43.82221 -41.62375 2.19846 2.09556 -41.12882 824.33440
4190.0000 -43.70843 -40.70741 3.00101 2.03842 -41.53569 750.36055
4195.0000 -42.63309 -40.93513 1.69797 2.18101 -40.52044 950.26145
4200.0000 -42.94531 -40.60938 2.33593 2.18278 -40.50780 931.06485
4205.0000 -42.99755 -40.80781 2.18974 2.11931 -40.95973 825.63360
4210.0000 -42.94178 -40.37215 2.56963 2.16306 -40.64819 891.34434
4215.0000 -42.61356 -40.77316 1.84040 2.22315 -40.22037 930.80781
4220.0000 -42.54542 -40.42374 2.12168 2.18340 -40.50340 867.11173
4225.0000 -43.33134 -40.96194 2.36940 2.14915 -40.74729 938.83368
4230.0000 -43.09591 -41.19260 1.90331 2.12391 -40.92700 855.96429
4235.0000 -41.98882 -40.30728 1.68154 2.17688 -40.54978 863.51878
4240.0000 -43.32185 -40.95970 2.36215 2.13276 -40.86397 889.26146
4245.0000 -42.44623 -39.89659 2.54964 2.14828 -40.75348 828.16262
4250.0000 -42.29112 -40.05782 2.23330 2.27099 -39.87974 904.57638
MELTING PROCESS: loop number 18 T-loop= 866.00000000000000
main_MD> interactions number 18 at Temperature= 866.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.40582 -0.64335 -0.56575
force_rgl> df(natom) 0.15040 0.00532 -4.75431
4255.0000 -43.19582 -40.49601 2.69981 2.15005 -40.74086 915.14187
4260.0000 -42.92329 -40.91898 2.00430 2.17198 -40.58467 914.59173
4265.0000 -42.64875 -40.59586 2.05289 2.14069 -40.80752 848.39256
4270.0000 -42.93383 -40.85121 2.08262 2.11262 -41.00735 849.45822
4275.0000 -43.51812 -41.93553 1.58259 2.10234 -41.08059 881.38445
4280.0000 -43.78528 -41.42026 2.36502 2.01990 -41.66758 809.63940
4285.0000 -42.56043 -40.28621 2.27422 2.15542 -40.70261 862.06638
4290.0000 -42.80650 -41.01674 1.78976 2.17335 -40.57496 890.73319
4295.0000 -42.14028 -39.96053 2.17975 2.16094 -40.66328 860.46299
4300.0000 -41.83118 -39.87223 1.95896 2.23929 -40.10543 953.99789
4305.0000 -43.51818 -41.23414 2.28404 2.15059 -40.73701 872.06415
4310.0000 -43.46784 -41.00240 2.46544 2.07669 -41.26323 821.12343
4315.0000 -42.65266 -40.57475 2.07791 2.08346 -41.21501 819.89721
4320.0000 -43.05045 -40.76131 2.28914 2.17257 -40.58051 899.77637
4325.0000 -43.21207 -40.84728 2.36479 2.14053 -40.80866 858.07171
4330.0000 -43.61824 -40.77710 2.84115 2.03975 -41.52622 787.45078
4335.0000 -42.65651 -40.39323 2.26328 2.15058 -40.73706 847.88117
4340.0000 -43.17721 -41.02728 2.14992 2.15884 -40.67824 893.83189
4345.0000 -43.49842 -41.20217 2.29625 2.11619 -40.98194 830.60588
4350.0000 -43.19547 -41.33695 1.85852 2.13782 -40.82797 845.48626
4355.0000 -42.99196 -41.39310 1.59886 2.00669 -41.76161 711.75928
4360.0000 -42.71424 -40.50680 2.20745 2.09051 -41.16478 815.92703
4365.0000 -42.68661 -40.59522 2.09139 2.16122 -40.66131 831.65059
4370.0000 -43.41658 -40.91827 2.49831 2.08520 -41.20258 796.09102
4375.0000 -44.11182 -41.77602 2.33580 2.06519 -41.34511 786.54415
4380.0000 -43.63057 -42.16760 1.46297 1.98924 -41.88589 676.20351
4385.0000 -43.15890 -41.28647 1.87244 2.06052 -41.37832 777.67356
4390.0000 -42.97455 -41.09638 1.87817 2.10864 -41.03574 839.83509
4395.0000 -43.35734 -41.49889 1.85845 2.09724 -41.11688 838.04616
4400.0000 -42.26486 -40.90935 1.35551 2.07864 -41.24933 793.15695
4405.0000 -43.09589 -41.12410 1.97179 2.10987 -41.02699 793.21081
4410.0000 -42.72011 -39.88609 2.83402 2.13793 -40.82716 895.57579
4415.0000 -43.07689 -40.83554 2.24135 2.20049 -40.38173 880.86650
4420.0000 -42.34848 -39.89801 2.45046 2.15022 -40.73965 871.47830
4425.0000 -43.28376 -41.27083 2.01294 2.18104 -40.52020 863.88988
4430.0000 -42.74163 -40.40463 2.33699 2.08929 -41.17352 801.72694
4435.0000 -42.54418 -39.98324 2.56093 2.20203 -40.37075 963.83100
4440.0000 -42.04752 -39.56589 2.48163 2.28858 -39.75445 1023.92768
4445.0000 -42.67636 -40.95529 1.72106 2.23555 -40.13208 953.65145
4450.0000 -42.85717 -40.82655 2.03061 2.13139 -40.87373 847.37705
4455.0000 -42.77121 -39.86434 2.90688 2.18729 -40.47569 919.22118
4460.0000 -42.69549 -40.48816 2.20733 2.23900 -40.10749 958.67939
4465.0000 -43.12277 -41.10686 2.01591 2.15795 -40.68459 877.16317
4470.0000 -42.30567 -40.10826 2.19741 2.14194 -40.79863 889.67941
4475.0000 -42.22491 -39.35677 2.86814 2.27085 -39.88070 981.16631
4480.0000 -42.54454 -39.55321 2.99133 2.29524 -39.70706 939.63158
4485.0000 -42.61568 -39.53087 3.08481 2.26769 -39.90321 988.78588
4490.0000 -42.73550 -40.04262 2.69287 2.31744 -39.54901 1043.66205
4495.0000 -43.55391 -41.81316 1.74075 2.11006 -41.02559 814.80056
4500.0000 -42.79723 -40.53339 2.26384 2.14976 -40.74294 885.11829
MELTING PROCESS: loop number 19 T-loop= 891.00000000000000
main_MD> interactions number 19 at Temperature= 891.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.46251 -3.57484 -0.11180
force_rgl> df(natom) 0.73747 3.20724 -1.20709
4505.0000 -43.18901 -40.52853 2.66049 2.16959 -40.60173 941.27028
4510.0000 -43.53747 -41.74357 1.79390 2.05007 -41.45276 763.19022
4515.0000 -43.68209 -41.59603 2.08607 2.04343 -41.50003 749.83450
4520.0000 -43.62731 -41.93923 1.68808 2.02121 -41.65826 745.81206
4525.0000 -43.11475 -40.67752 2.43723 2.09522 -41.13124 832.62885
4530.0000 -43.07789 -40.43993 2.63796 2.18792 -40.47123 889.14967
4535.0000 -42.95385 -41.10146 1.85239 2.21894 -40.25036 1031.83044
4540.0000 -42.53324 -40.03548 2.49776 2.13119 -40.87517 874.30862
4545.0000 -43.85751 -41.47590 2.38162 2.16482 -40.63569 875.74262
4550.0000 -43.21818 -41.60987 1.60831 2.07505 -41.27486 761.62186
4555.0000 -43.27531 -41.64827 1.62704 1.99955 -41.81245 728.43144
4560.0000 -43.03100 -40.60901 2.42199 2.06863 -41.32058 761.48364
4565.0000 -42.24052 -40.11958 2.12094 2.21562 -40.27398 890.91258
4570.0000 -42.60616 -40.29124 2.31492 2.23636 -40.12632 907.23310
4575.0000 -42.47233 -40.57078 1.90154 2.17904 -40.53440 939.05460
4580.0000 -42.86010 -41.09062 1.76948 2.14101 -40.80521 809.90112
4585.0000 -42.56783 -40.25763 2.31020 2.14182 -40.79944 824.64985
4590.0000 -43.06872 -41.01417 2.05456 2.21134 -40.30447 939.86135
4595.0000 -43.90385 -41.31845 2.58540 2.14420 -40.78248 872.12551
4600.0000 -43.61056 -41.23684 2.37373 2.09739 -41.11580 799.72819
4605.0000 -43.18086 -41.59404 1.58681 2.05438 -41.42203 790.37446
4610.0000 -42.95080 -40.77816 2.17264 2.06830 -41.32292 826.82245
4615.0000 -42.38537 -39.84636 2.53901 2.23804 -40.11430 960.50057
4620.0000 -42.81514 -40.82410 1.99104 2.20335 -40.36137 920.90184
4625.0000 -42.28849 -40.23673 2.05176 2.19327 -40.43308 931.84176
4630.0000 -43.12254 -40.11884 3.00370 2.22427 -40.21241 988.49385
4635.0000 -42.72036 -40.71322 2.00713 2.11844 -40.96596 801.43877
4640.0000 -42.07782 -40.80930 1.26852 2.16858 -40.60888 825.70374
4645.0000 -42.60903 -39.72651 2.88252 2.16091 -40.66351 850.45184
4650.0000 -43.14925 -40.95181 2.19744 2.20537 -40.34694 945.76244
4655.0000 -42.53246 -39.89028 2.64219 2.15568 -40.70079 862.12895
4660.0000 -42.45983 -40.28269 2.17714 2.28111 -39.80767 1053.32806
4665.0000 -42.49494 -40.84319 1.65175 2.20245 -40.36772 901.45704
4670.0000 -42.19118 -40.63445 1.55673 2.09410 -41.13921 801.45941
4675.0000 -43.42807 -40.82015 2.60792 2.14731 -40.76038 852.87217
4680.0000 -42.93789 -40.99259 1.94530 2.13733 -40.83144 861.27499
4685.0000 -42.93381 -41.00113 1.93268 2.12403 -40.92611 819.40482
4690.0000 -43.53339 -41.71295 1.82045 2.04862 -41.46307 745.61093
4695.0000 -42.37434 -40.50041 1.87393 2.11791 -40.96973 849.02143
4700.0000 -43.01619 -41.24586 1.77032 2.11824 -40.96736 830.80780
4705.0000 -42.88714 -40.58620 2.30094 2.17634 -40.55364 940.29187
4710.0000 -42.78662 -40.40582 2.38080 2.21276 -40.29432 940.21521
4715.0000 -43.37634 -40.41770 2.95864 2.26745 -39.90489 1013.63829
4720.0000 -42.11247 -40.28630 1.82616 2.20264 -40.36639 904.78179
4725.0000 -42.67680 -40.18914 2.48766 2.19548 -40.41739 887.74649
4730.0000 -42.31058 -39.97582 2.33476 2.26899 -39.89397 973.51095
4735.0000 -42.42986 -40.02658 2.40329 2.25798 -39.97237 995.57415
4740.0000 -42.09789 -40.28938 1.80851 2.21244 -40.29660 882.00500
4745.0000 -42.30870 -39.84741 2.46130 2.24555 -40.06089 982.95708
4750.0000 -42.52249 -40.83650 1.68599 2.24871 -40.03832 944.02586
MELTING PROCESS: loop number 20 T-loop= 916.00000000000000
main_MD> interactions number 20 at Temperature= 916.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.04463 0.79754 -1.55093
force_rgl> df(natom) -0.65271 -1.11750 -0.78185
4755.0000 -42.52119 -40.08820 2.43299 2.23993 -40.10089 941.94519
4760.0000 -42.32177 -40.00199 2.31978 2.25397 -40.00094 993.41735
4765.0000 -42.75049 -38.95785 3.79264 2.37458 -39.14210 1144.24945
4770.0000 -42.66288 -40.87481 1.78807 2.22970 -40.17369 980.72746
4775.0000 -42.16950 -40.41887 1.75063 2.18243 -40.51031 876.32161
4780.0000 -43.14263 -40.76151 2.38112 2.15658 -40.69434 843.47819
4785.0000 -42.44230 -40.31825 2.12406 2.17181 -40.58592 886.20822
4790.0000 -43.56808 -41.23761 2.33047 2.12259 -40.93638 873.88834
4795.0000 -42.57265 -40.00199 2.57067 2.19865 -40.39484 964.01660
4800.0000 -42.32991 -40.15953 2.17038 2.27608 -39.84346 948.27751
4805.0000 -43.23295 -40.28295 2.95000 2.31653 -39.55543 1070.33665
4810.0000 -41.82280 -39.35895 2.46385 2.31758 -39.54801 1094.27832
4815.0000 -41.98642 -40.14023 1.84620 2.31677 -39.55372 1034.23362
4820.0000 -42.80987 -40.01222 2.79764 2.23139 -40.16171 1032.06016
4825.0000 -43.26803 -40.84570 2.42233 2.15656 -40.69448 917.37497
4830.0000 -42.68960 -40.21943 2.47017 2.22525 -40.20539 945.14390
4835.0000 -42.64104 -40.69458 1.94646 2.19744 -40.40343 949.29674
4840.0000 -42.71646 -40.48197 2.23449 2.12310 -40.93277 823.32404
4845.0000 -42.90909 -40.83768 2.07140 2.18492 -40.49258 907.01627
4850.0000 -43.44790 -41.73010 1.71780 2.11432 -40.99529 822.90206
4855.0000 -43.37366 -40.98828 2.38538 2.08134 -41.23010 769.59499
4860.0000 -41.75991 -39.46465 2.29526 2.19091 -40.44989 957.76338
4865.0000 -41.65510 -39.53959 2.11551 2.32607 -39.48756 1034.16191
4870.0000 -42.80211 -40.49797 2.30414 2.23294 -40.15063 954.10084
4875.0000 -43.61569 -40.49236 3.12333 2.10155 -41.08619 877.73201
4880.0000 -41.68069 -39.88408 1.79660 2.22832 -40.18355 996.58538
4885.0000 -42.18404 -39.60846 2.57558 2.29886 -39.68125 951.91806
4890.0000 -42.61383 -40.10634 2.50749 2.27375 -39.86005 1007.36267
4895.0000 -42.22496 -40.73768 1.48728 2.24545 -40.06160 899.42162
4900.0000 -42.56333 -40.68763 1.87570 2.14168 -40.80044 860.60264
4905.0000 -43.38421 -40.93479 2.44942 2.17497 -40.56340 967.16830
4910.0000 -42.69335 -40.94442 1.74893 2.11243 -41.00871 776.49762
4915.0000 -40.92106 -39.47279 1.44827 2.20257 -40.36686 863.45996
4920.0000 -42.63169 -40.49309 2.13860 2.22547 -40.20385 930.80908
4925.0000 -42.01451 -39.97261 2.04190 2.21882 -40.25121 905.93938
4930.0000 -42.49942 -40.03968 2.45974 2.25813 -39.97127 972.49459
4935.0000 -43.12009 -40.51766 2.60243 2.17974 -40.52946 918.70428
4940.0000 -43.18649 -41.08376 2.10273 2.16219 -40.65442 900.42916
4945.0000 -41.59115 -39.53012 2.06102 2.22864 -40.18128 942.23924
4950.0000 -42.41291 -40.11705 2.29586 2.27551 -39.84753 930.38993
4955.0000 -42.68723 -40.73415 1.95309 2.15610 -40.69780 855.57744
4960.0000 -43.88133 -41.76641 2.11492 2.07266 -41.29188 812.68788
4965.0000 -43.07344 -40.55045 2.52299 2.09616 -41.12460 831.27620
4970.0000 -43.37207 -41.35437 2.01770 2.13853 -40.82290 903.29768
4975.0000 -42.82951 -40.81019 2.01932 2.12757 -40.90094 872.32501
4980.0000 -42.55581 -40.92409 1.63172 2.13644 -40.83775 825.32167
4985.0000 -42.89082 -40.39975 2.49107 2.14532 -40.77451 860.62543
4990.0000 -42.96504 -41.36347 1.60158 2.06838 -41.32241 793.13335
4995.0000 -43.42311 -41.01475 2.40835 2.07719 -41.25966 792.28317
5000.0000 -42.80294 -40.47520 2.32774 2.11723 -40.97454 858.20823
MELTING PROCESS: loop number 21 T-loop= 941.00000000000000
main_MD> interactions number 21 at Temperature= 941.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 1.11268 2.00570 1.33253
force_rgl> df(natom) 2.80792 -3.04245 0.85139
5005.0000 -42.46899 -40.65318 1.81581 2.21869 -40.25212 968.04136
5010.0000 -42.90597 -40.71475 2.19122 2.15094 -40.73453 909.79431
5015.0000 -42.62251 -40.54005 2.08246 2.17724 -40.54725 923.47875
5020.0000 -42.27217 -40.41990 1.85226 2.20074 -40.37991 942.20638
5025.0000 -42.69029 -40.56471 2.12559 2.25280 -40.00923 1044.97544
5030.0000 -42.13246 -39.66777 2.46469 2.23975 -40.10219 948.41053
5035.0000 -41.92386 -39.43734 2.48652 2.28062 -39.81114 1051.05118
5040.0000 -41.69238 -39.49510 2.19728 2.30944 -39.60597 1069.78825
5045.0000 -41.93708 -40.00804 1.92904 2.34184 -39.37526 1064.13140
5050.0000 -43.02713 -40.69035 2.33678 2.14802 -40.75531 861.95343
5055.0000 -43.48696 -41.04442 2.44254 2.11494 -40.99084 841.71427
5060.0000 -42.52966 -40.50113 2.02853 2.15682 -40.69262 849.47227
5065.0000 -43.00162 -41.04371 1.95791 2.12584 -40.91324 823.78959
5070.0000 -42.35583 -39.68473 2.67110 2.14098 -40.80541 869.78881
5075.0000 -42.71155 -40.77099 1.94055 2.21810 -40.25631 883.69882
5080.0000 -42.98322 -40.42119 2.56203 2.21552 -40.27465 970.25821
5085.0000 -43.27086 -41.11072 2.16014 2.24135 -40.09078 997.54110
5090.0000 -41.87354 -39.71680 2.15674 2.11973 -40.95674 874.31070
5095.0000 -42.69021 -39.53073 3.15949 2.30122 -39.66450 1036.69437
5100.0000 -42.29420 -39.77031 2.52389 2.32331 -39.50718 1061.93491
5105.0000 -41.88666 -39.55172 2.33494 2.24079 -40.09476 1024.72554
5110.0000 -42.23398 -39.37878 2.85520 2.32625 -39.48622 1052.14958
5115.0000 -41.51312 -39.86012 1.65299 2.26543 -39.91931 1013.71901
5120.0000 -42.82081 -40.61531 2.20551 2.26410 -39.92881 1006.92794
5125.0000 -42.47662 -40.74639 1.73024 2.15042 -40.73823 884.82336
5130.0000 -42.82964 -40.76203 2.06760 2.16182 -40.65707 873.04358
5135.0000 -43.14900 -40.83500 2.31400 2.24154 -40.08942 921.60760
5140.0000 -42.74559 -40.64365 2.10194 2.19964 -40.38776 979.23208
5145.0000 -42.16306 -39.55809 2.60497 2.26834 -39.89857 1014.10994
5150.0000 -41.61295 -38.85321 2.75974 2.33169 -39.44752 1030.90361
5155.0000 -41.99132 -39.76180 2.22952 2.32156 -39.51964 1028.57550
5160.0000 -42.48529 -39.95183 2.53346 2.32269 -39.51157 1103.20028
5165.0000 -43.00422 -40.38257 2.62165 2.21668 -40.26642 857.45176
5170.0000 -43.48803 -40.86399 2.62404 2.17443 -40.56727 870.75127
5175.0000 -42.04293 -40.10190 1.94102 2.24044 -40.09724 979.88892
5180.0000 -42.24245 -39.95456 2.28788 2.27876 -39.82437 944.67314
5185.0000 -41.88898 -39.90586 1.98312 2.29347 -39.71963 1045.41735
5190.0000 -42.19562 -39.77251 2.42311 2.23006 -40.17112 924.98062
5195.0000 -42.47942 -40.25275 2.22666 2.28853 -39.75479 1009.89806
5200.0000 -41.91569 -39.45332 2.46237 2.30271 -39.65389 1101.29809
5205.0000 -42.46116 -40.22832 2.23285 2.24822 -40.04188 965.10844
5210.0000 -43.09744 -41.45227 1.64517 2.16985 -40.59987 925.92588
5215.0000 -42.47213 -40.24453 2.22760 2.20978 -40.31557 957.95914
5220.0000 -42.47883 -39.51414 2.96470 2.25656 -39.98246 1024.07017
5225.0000 -42.56636 -39.97260 2.59376 2.22065 -40.23817 919.53466
5230.0000 -41.79880 -38.58244 3.21636 2.41122 -38.88119 1139.09453
5235.0000 -41.59351 -39.40678 2.18674 2.38717 -39.05247 1052.43530
5240.0000 -43.21687 -40.12235 3.09453 2.29553 -39.70500 1016.56207
5245.0000 -43.08388 -40.33287 2.75101 2.19971 -40.38723 899.05975
5250.0000 -43.39750 -39.97783 3.41966 2.21811 -40.25625 956.79045
MELTING PROCESS: loop number 22 T-loop= 966.00000000000000
main_MD> interactions number 22 at Temperature= 966.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.32975 -0.05672 -0.61862
force_rgl> df(natom) 0.62388 -1.02769 -0.46038
5255.0000 -42.00458 -39.85079 2.15379 2.24036 -40.09785 1001.30915
5260.0000 -42.31974 -39.53270 2.78704 2.27086 -39.88067 963.32812
5265.0000 -41.69793 -39.43476 2.26317 2.32122 -39.52207 1052.16139
5270.0000 -42.58234 -39.94489 2.63745 2.23779 -40.11612 1046.93056
5275.0000 -43.49125 -40.13991 3.35135 2.26603 -39.91503 1026.36130
5280.0000 -43.59756 -42.18777 1.40979 2.12223 -40.93895 893.88201
5285.0000 -43.22470 -41.33752 1.88718 2.07262 -41.29217 748.37988
5290.0000 -42.74801 -40.35122 2.39679 2.13862 -40.82227 874.06849
5295.0000 -42.92779 -40.02395 2.90384 2.20620 -40.34105 944.99385
5300.0000 -42.77036 -40.58127 2.18909 2.14727 -40.76068 968.44317
5305.0000 -42.63899 -40.04040 2.59859 2.24701 -40.05049 965.91568
5310.0000 -42.47045 -39.04908 3.42136 2.39358 -39.00684 1144.20330
5315.0000 -41.58353 -39.19032 2.39320 2.34462 -39.35547 1102.64802
5320.0000 -42.73943 -40.47845 2.26098 2.30105 -39.66570 1047.01534
5325.0000 -42.32407 -40.58020 1.74387 2.19987 -40.38615 937.06853
5330.0000 -42.99900 -41.29860 1.70041 2.19283 -40.43621 868.93459
5335.0000 -43.12817 -40.61414 2.51403 2.05051 -41.44960 759.45227
5340.0000 -41.56355 -39.13322 2.43032 2.28211 -39.80057 1001.17586
5345.0000 -41.84292 -40.53100 1.31192 2.29189 -39.73091 1008.64544
5350.0000 -42.96409 -40.42926 2.53483 2.20330 -40.36169 961.11991
5355.0000 -43.84181 -42.03937 1.80244 2.06556 -41.34247 761.25749
5360.0000 -42.30326 -40.58194 1.72132 2.06978 -41.31241 789.58107
5365.0000 -41.77161 -40.00312 1.76849 2.30259 -39.65473 1015.56767
5370.0000 -42.78131 -41.23221 1.54910 2.15106 -40.73365 846.46140
5375.0000 -42.80745 -40.96640 1.84106 2.11898 -40.96209 829.88302
5380.0000 -42.42924 -39.31890 3.11034 2.25927 -39.96319 1011.17001
5385.0000 -43.03789 -40.78452 2.25337 2.27857 -39.82576 1014.98162
5390.0000 -43.34327 -41.37914 1.96413 2.07369 -41.28454 782.77989
5395.0000 -43.03890 -41.13805 1.90086 2.07943 -41.24372 763.31049
5400.0000 -42.34848 -40.29674 2.05174 2.11886 -40.96295 848.99597
5405.0000 -42.89841 -40.47771 2.42070 2.17922 -40.53314 902.08925
5410.0000 -42.44516 -39.84689 2.59828 2.25079 -40.02357 1029.11141
5415.0000 -42.68904 -40.04685 2.64220 2.31368 -39.57576 1107.13724
5420.0000 -42.06159 -39.52255 2.53904 2.38298 -39.08232 1171.97048
5425.0000 -41.32489 -39.20093 2.12397 2.32849 -39.47032 1059.20378
5430.0000 -40.05813 -38.32731 1.73082 2.45852 -38.54446 1142.88268
5435.0000 -42.62451 -39.56598 3.05853 2.41450 -38.85787 1125.55520
5440.0000 -41.99769 -39.69303 2.30466 2.32717 -39.47969 1074.93041
5445.0000 -42.10733 -39.71305 2.39428 2.30627 -39.62855 1024.49718
5450.0000 -42.92537 -40.04696 2.87841 2.27719 -39.83554 1029.49722
5455.0000 -43.06628 -40.87285 2.19343 2.21045 -40.31077 995.10808
5460.0000 -42.90209 -41.29507 1.60701 2.12635 -40.90964 834.16157
5465.0000 -43.13681 -41.64347 1.49334 2.07769 -41.25606 758.96267
5470.0000 -42.70689 -40.58469 2.12220 2.13157 -40.87241 832.39490
5475.0000 -42.09975 -40.00622 2.09353 2.24573 -40.05955 986.72507
5480.0000 -43.08270 -40.40977 2.67293 2.20482 -40.35087 903.93604
5485.0000 -42.26257 -40.36235 1.90023 2.18899 -40.46356 931.45221
5490.0000 -42.86351 -40.30291 2.56060 2.21680 -40.26558 974.43022
5495.0000 -42.83294 -40.18341 2.64953 2.21516 -40.27727 953.31859
5500.0000 -42.47518 -40.46167 2.01351 2.22924 -40.17698 981.68669
MELTING PROCESS: loop number 23 T-loop= 991.00000000000000
main_MD> interactions number 23 at Temperature= 991.00000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -4.07773 1.01220 -0.06261
force_rgl> df(natom) 1.52844 -2.05477 -0.53135
5505.0000 -42.63597 -41.21318 1.42280 2.17662 -40.55166 837.19063
5510.0000 -42.66563 -40.18134 2.48428 2.24739 -40.04777 966.93720
5515.0000 -41.73865 -39.20307 2.53558 2.19896 -40.39260 933.10309
5520.0000 -42.80505 -41.05312 1.75193 2.22474 -40.20905 909.40498
5525.0000 -42.89603 -40.61729 2.27875 2.19867 -40.39465 881.23871
5530.0000 -42.54581 -40.70949 1.83632 2.12476 -40.92093 813.27021
5535.0000 -42.64332 -40.10640 2.53692 2.21867 -40.25226 983.33631
5540.0000 -42.27837 -39.52182 2.75655 2.25870 -39.96722 997.75698
5545.0000 -42.20158 -39.76433 2.43724 2.26768 -39.90331 990.31360
5550.0000 -42.75160 -40.84493 1.90667 2.17896 -40.53504 953.33193
5555.0000 -41.09589 -38.39478 2.70111 2.33461 -39.42671 1082.21475
5560.0000 -41.41179 -38.90561 2.50618 2.46328 -38.51057 1198.28625
5565.0000 -41.16603 -38.61699 2.54904 2.37082 -39.16886 1084.54218
5570.0000 -42.42744 -40.28739 2.14005 2.29099 -39.73732 1020.83684
5575.0000 -40.96767 -38.80785 2.15982 2.25272 -40.00981 906.17230
5580.0000 -41.61025 -38.88678 2.72347 2.41531 -38.85209 1116.68896
5585.0000 -42.35445 -39.85317 2.50128 2.30995 -39.60230 1047.59761
5590.0000 -41.03903 -38.67261 2.36642 2.36329 -39.22249 1105.13771
5595.0000 -41.47385 -39.48801 1.98584 2.29675 -39.69630 1009.66574
5600.0000 -42.38860 -39.76100 2.62760 2.27660 -39.83978 1048.14166
5605.0000 -42.86170 -40.56010 2.30160 2.13486 -40.84904 828.80504
5610.0000 -43.79526 -40.56330 3.23196 2.18775 -40.47242 942.01160
5615.0000 -41.82785 -39.53623 2.29162 2.30294 -39.65222 1041.35409
5620.0000 -42.15161 -39.18121 2.97040 2.33615 -39.41578 1149.22142
5625.0000 -42.81726 -39.97300 2.84426 2.20678 -40.33693 962.68411
5630.0000 -42.46678 -40.76382 1.70296 2.21689 -40.26495 1011.30411
5635.0000 -41.18486 -38.86870 2.31616 2.28020 -39.81413 1054.00207
5640.0000 -41.60827 -39.56020 2.04807 2.36373 -39.21941 1128.89699
5645.0000 -42.86333 -40.42330 2.44003 2.28890 -39.75219 1050.08584
5650.0000 -41.81353 -39.71008 2.10345 2.28102 -39.80829 1033.28947
5655.0000 -42.20302 -39.10472 3.09830 2.37730 -39.12273 1128.42779
5660.0000 -42.75454 -40.44330 2.31124 2.31269 -39.58282 1047.54403
5665.0000 -43.60291 -41.75316 1.84975 2.10446 -41.06549 834.03243
5670.0000 -43.24700 -41.13133 2.11567 2.01471 -41.70455 742.60122
5675.0000 -42.67105 -40.50265 2.16841 2.18226 -40.51152 883.82968
5680.0000 -43.31469 -40.76293 2.55176 2.14202 -40.79800 832.26358
5685.0000 -43.24784 -40.87536 2.37248 2.14494 -40.77724 925.02500
5690.0000 -42.23037 -39.63482 2.59554 2.15205 -40.72662 908.64977
5695.0000 -43.24291 -39.96451 3.27840 2.28982 -39.74567 987.23522
5700.0000 -42.18997 -39.41450 2.77547 2.28492 -39.78055 1023.70553
5705.0000 -42.76251 -40.86952 1.89300 2.21758 -40.26002 945.66682
5710.0000 -42.36697 -40.75205 1.61492 2.11715 -40.97509 848.58279
5715.0000 -42.90030 -40.68665 2.21365 2.16564 -40.62983 842.41559
5720.0000 -43.15592 -41.86830 1.28763 2.10733 -41.04503 858.48454
5725.0000 -42.31029 -40.04003 2.27026 2.05328 -41.42992 772.55759
5730.0000 -43.39605 -40.67411 2.72194 2.19275 -40.43683 979.73646
5735.0000 -42.74810 -40.70173 2.04637 2.14646 -40.76645 908.77566
5740.0000 -42.59341 -40.40374 2.18967 2.12261 -40.93626 874.02645
5745.0000 -42.46967 -39.88409 2.58557 2.14714 -40.76161 857.42769
5750.0000 -42.86696 -39.89644 2.97052 2.27215 -39.87144 1028.65150
MELTING PROCESS: loop number 24 T-loop= 1016.0000000000000
main_MD> interactions number 24 at Temperature= 1016.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.39400 0.55978 2.74683
force_rgl> df(natom) 2.12826 1.41002 0.29224
5755.0000 -43.48048 -40.81101 2.66947 2.18232 -40.51112 917.29537
5760.0000 -43.18381 -40.40238 2.78143 2.17074 -40.59350 902.14131
5765.0000 -43.03867 -40.87220 2.16647 2.16839 -40.61024 891.61362
5770.0000 -42.47879 -39.16506 3.31373 2.22245 -40.22536 970.85290
5775.0000 -40.90070 -38.47478 2.42591 2.36617 -39.20199 1146.49266
5780.0000 -42.49034 -39.85887 2.63148 2.35081 -39.31135 1100.10054
5785.0000 -42.75978 -40.65142 2.10836 2.19383 -40.42910 958.10999
5790.0000 -42.59350 -40.08148 2.51202 2.15977 -40.67167 906.31022
5795.0000 -42.88861 -40.15165 2.73696 2.24655 -40.05374 917.88079
5800.0000 -42.28204 -40.27770 2.00433 2.25102 -40.02192 965.61581
5805.0000 -41.83797 -38.77284 3.06513 2.36709 -39.19546 1249.44238
5810.0000 -42.90553 -40.40189 2.50364 2.25154 -40.01823 998.56619
5815.0000 -42.86403 -40.18926 2.67477 2.18248 -40.50991 910.32729
5820.0000 -42.10066 -39.45506 2.64560 2.29396 -39.71620 1041.23020
5825.0000 -43.00714 -40.94470 2.06244 2.17346 -40.57418 942.76580
5830.0000 -43.06642 -40.28167 2.78475 2.19647 -40.41036 1007.21455
5835.0000 -42.21462 -40.00993 2.20470 2.19626 -40.41185 849.30112
5840.0000 -43.30951 -40.80196 2.50755 2.16919 -40.60455 911.31234
5845.0000 -42.36809 -40.46392 1.90417 2.21704 -40.26388 941.69180
5850.0000 -42.24191 -39.55571 2.68619 2.28139 -39.80570 1056.63389
5855.0000 -43.08349 -40.54059 2.54290 2.19082 -40.45057 929.75839
5860.0000 -42.29878 -40.99805 1.30073 2.18333 -40.50386 931.93735
5865.0000 -43.06971 -40.87257 2.19713 2.11378 -40.99912 863.86793
5870.0000 -42.55299 -40.28797 2.26502 2.23572 -40.13082 997.60779
5875.0000 -43.22075 -41.04397 2.17678 2.18987 -40.45730 881.46222
5880.0000 -42.60806 -40.39417 2.21388 2.12535 -40.91673 886.11750
5885.0000 -42.78829 -40.94363 1.84466 2.17757 -40.54488 890.19379
5890.0000 -42.11864 -39.15002 2.96863 2.28317 -39.79302 961.39381
5895.0000 -41.22765 -38.37588 2.85177 2.38800 -39.04655 1063.00670
5900.0000 -42.02738 -40.32957 1.69781 2.36030 -39.24376 1096.55122
5905.0000 -42.32504 -40.60779 1.71725 2.19743 -40.40346 884.22471
5910.0000 -42.15583 -39.78353 2.37230 2.23083 -40.16569 898.90070
5915.0000 -41.61942 -39.49641 2.12300 2.30297 -39.65200 999.42944
5920.0000 -42.01173 -39.64180 2.36993 2.32088 -39.52451 1073.80437
5925.0000 -41.97020 -39.82692 2.14328 2.36525 -39.20855 1137.82668
5930.0000 -42.12583 -40.36869 1.75714 2.22474 -40.20904 976.69355
5935.0000 -43.05892 -41.01934 2.03958 2.20379 -40.35822 891.67871
5940.0000 -43.23491 -40.87174 2.36318 2.08838 -41.17999 808.92661
5945.0000 -42.57738 -40.24330 2.33408 2.14890 -40.74902 883.65289
5950.0000 -42.70826 -40.19967 2.50859 2.19967 -40.38757 889.74044
5955.0000 -41.33077 -39.01590 2.31487 2.35050 -39.31356 1016.11218
5960.0000 -42.47131 -39.65364 2.81767 2.35430 -39.28652 1074.49010
5965.0000 -41.33959 -38.82926 2.51032 2.38428 -39.07302 994.23029
5970.0000 -42.47298 -39.78084 2.69214 2.40618 -38.91711 1125.07418
5975.0000 -41.72727 -39.49181 2.23546 2.31690 -39.55282 1046.43528
5980.0000 -42.95255 -41.02817 1.92438 2.23552 -40.13225 1043.42655
5985.0000 -43.09264 -40.10539 2.98725 2.15865 -40.67961 954.37498
5990.0000 -40.94143 -38.88011 2.06132 2.30712 -39.62243 1025.94905
5995.0000 -41.87502 -39.64293 2.23209 2.38418 -39.07376 1170.94030
6000.0000 -42.35582 -39.84036 2.51546 2.30448 -39.64127 995.69498
MELTING PROCESS: loop number 25 T-loop= 1041.0000000000000
main_MD> interactions number 25 at Temperature= 1041.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.60258 0.76205 0.99004
force_rgl> df(natom) -1.36148 -2.34559 2.96114
6005.0000 -42.76473 -39.59118 3.17355 2.27611 -39.84327 1019.84889
6010.0000 -42.16296 -40.01938 2.14358 2.33411 -39.43030 1090.74186
6015.0000 -41.84092 -39.64992 2.19100 2.28995 -39.74474 993.76832
6020.0000 -42.36655 -39.83321 2.53334 2.26934 -39.89144 1035.85714
6025.0000 -42.39781 -40.61496 1.78285 2.20023 -40.38356 905.70868
6030.0000 -42.67160 -40.51972 2.15188 2.10568 -41.05678 830.93622
6035.0000 -42.60317 -40.20440 2.39877 2.24372 -40.07388 962.08746
6040.0000 -42.83546 -39.39560 3.43986 2.25608 -39.98589 1051.47936
6045.0000 -41.81012 -39.60838 2.20174 2.36647 -39.19984 1084.64623
6050.0000 -42.09797 -40.07792 2.02005 2.25645 -39.98326 990.00996
6055.0000 -41.61982 -38.84170 2.77812 2.27704 -39.83663 960.23862
6060.0000 -41.70526 -39.55992 2.14534 2.32973 -39.46150 1074.86548
6065.0000 -42.10707 -40.08527 2.02181 2.31779 -39.54648 1014.77986
6070.0000 -42.84921 -40.54771 2.30150 2.17463 -40.56581 878.31689
6075.0000 -42.69232 -40.34557 2.34675 2.22103 -40.23542 972.33113
6080.0000 -42.13756 -39.16497 2.97258 2.26674 -39.90997 1008.09981
6085.0000 -42.54865 -40.26049 2.28815 2.28555 -39.77604 1016.88220
6090.0000 -42.86594 -40.76294 2.10300 2.21564 -40.27383 913.44080
6095.0000 -42.28565 -39.20124 3.08440 2.27578 -39.84560 1025.93810
6100.0000 -42.05713 -39.32067 2.73646 2.34834 -39.32892 1097.16740
6105.0000 -41.42963 -39.55344 1.87619 2.34630 -39.34351 1003.82294
6110.0000 -41.99988 -39.59003 2.40985 2.37602 -39.13185 1074.96369
6115.0000 -42.63457 -39.87693 2.75764 2.30999 -39.60203 974.42336
6120.0000 -42.83222 -40.89554 1.93668 2.21790 -40.25774 998.19724
6125.0000 -41.66769 -39.93845 1.72924 2.21169 -40.30199 927.66520
6130.0000 -40.23334 -38.32369 1.90965 2.47623 -38.41834 1202.82074
6135.0000 -41.84577 -37.83426 4.01151 2.48557 -38.35180 1263.35517
6140.0000 -41.49991 -38.35339 3.14652 2.57550 -37.71146 1401.52799
6145.0000 -42.25735 -40.12414 2.13322 2.30045 -39.66997 1046.19411
6150.0000 -42.89858 -40.71288 2.18570 2.22202 -40.22837 954.24284
6155.0000 -43.06971 -40.85029 2.21942 2.14846 -40.75216 859.70473
6160.0000 -43.18018 -40.92428 2.25590 2.08394 -41.21156 779.71367
6165.0000 -42.95204 -40.61015 2.34189 2.07351 -41.28588 820.23510
6170.0000 -42.17252 -39.83150 2.34103 2.24789 -40.04421 1000.27561
6175.0000 -42.57674 -40.00524 2.57150 2.30933 -39.60675 988.60876
6180.0000 -41.82114 -38.64715 3.17399 2.31757 -39.54806 1023.80957
6185.0000 -41.70475 -38.74202 2.96272 2.38619 -39.05942 1109.49030
6190.0000 -41.78096 -39.04778 2.73318 2.46184 -38.52082 1160.71340
6195.0000 -40.79430 -38.60381 2.19049 2.39808 -38.97482 1152.13714
6200.0000 -42.12438 -39.30626 2.81812 2.37861 -39.11341 1087.08672
6205.0000 -41.78509 -39.25686 2.52823 2.34405 -39.35947 1096.81742
6210.0000 -41.63386 -38.32971 3.30415 2.45125 -38.59621 1180.52031
6215.0000 -42.45345 -40.54442 1.90904 2.40618 -38.91708 1114.56332
6220.0000 -41.70298 -39.57911 2.12387 2.27306 -39.86498 989.90349
6225.0000 -41.62670 -39.70159 1.92512 2.30103 -39.66584 1037.01739
6230.0000 -42.20294 -39.28534 2.91760 2.38632 -39.05854 1111.38893
6235.0000 -41.33020 -38.93373 2.39647 2.38850 -39.04297 1154.31572
6240.0000 -42.07153 -39.10232 2.96920 2.33239 -39.44252 1061.11468
6245.0000 -42.24997 -39.39152 2.85845 2.32895 -39.46702 1087.11147
6250.0000 -41.45814 -38.67290 2.78524 2.40648 -38.91494 1184.95900
MELTING PROCESS: loop number 26 T-loop= 1066.0000000000000
main_MD> interactions number 26 at Temperature= 1066.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -0.12395 -0.88693 3.40840
force_rgl> df(natom) 3.36293 0.02412 -0.70406
6255.0000 -41.84155 -39.67119 2.17036 2.35336 -39.29321 1073.74068
6260.0000 -41.25510 -38.58659 2.66850 2.39972 -38.96309 1183.41994
6265.0000 -40.35329 -37.77921 2.57408 2.40199 -38.94693 1184.77285
6270.0000 -41.27540 -37.74354 3.53186 2.52296 -38.08558 1324.50579
6275.0000 -42.01222 -39.50615 2.50607 2.42161 -38.80723 1182.32100
6280.0000 -41.28371 -38.44446 2.83925 2.38979 -39.03382 1148.13203
6285.0000 -42.00915 -38.02222 3.98694 2.47819 -38.40436 1241.22256
6290.0000 -41.83507 -38.65208 3.18300 2.49739 -38.26764 1292.83055
6295.0000 -41.38823 -38.56997 2.81826 2.46828 -38.47492 1276.71799
6300.0000 -41.99511 -39.02464 2.97047 2.40202 -38.94677 1162.87726
6305.0000 -41.82304 -38.50238 3.32066 2.44964 -38.60764 1157.01239
6310.0000 -43.01430 -40.48679 2.52750 2.33968 -39.39060 1127.79863
6315.0000 -42.10646 -39.62274 2.48372 2.31715 -39.55103 1089.99804
6320.0000 -41.07201 -39.20200 1.87001 2.33475 -39.42572 1145.52309
6325.0000 -41.95444 -38.45806 3.49639 2.45331 -38.58155 1215.66731
6330.0000 -40.37778 -37.84137 2.53641 2.45428 -38.57463 1190.74222
6335.0000 -42.49006 -39.48410 3.00596 2.49251 -38.30244 1283.13576
6340.0000 -42.02834 -39.26311 2.76523 2.35507 -39.28105 1138.13436
6345.0000 -42.51314 -39.64354 2.86960 2.33542 -39.42093 1126.13437
6350.0000 -41.48950 -38.26043 3.22907 2.42133 -38.80923 1246.89146
6355.0000 -41.54616 -38.81621 2.72995 2.44483 -38.64192 1103.66800
6360.0000 -41.16942 -38.38080 2.78862 2.46077 -38.52845 1292.05335
6365.0000 -42.62154 -40.09936 2.52217 2.37573 -39.13391 1222.09186
6370.0000 -41.47277 -39.12555 2.34723 2.29461 -39.71153 1037.58715
6375.0000 -41.01648 -38.23555 2.78094 2.43518 -38.71061 1145.31475
6380.0000 -41.69028 -37.90819 3.78209 2.55486 -37.85848 1319.41608
6385.0000 -42.00561 -39.49266 2.51294 2.45966 -38.53633 1218.16220
6390.0000 -41.70947 -40.30140 1.40807 2.28628 -39.77086 1057.05432
6395.0000 -42.49304 -39.93022 2.56282 2.18094 -40.52089 919.05570
6400.0000 -42.02580 -39.98924 2.03656 2.37623 -39.13038 1082.63713
6405.0000 -42.50919 -39.88467 2.62453 2.33727 -39.40779 1052.58529
6410.0000 -41.93739 -39.98039 1.95700 2.27877 -39.82431 965.11217
6415.0000 -42.59630 -40.14309 2.45321 2.22380 -40.21572 908.40841
6420.0000 -41.37081 -38.81722 2.55359 2.32653 -39.48424 1088.75342
6425.0000 -43.23946 -40.71164 2.52782 2.29922 -39.67869 1048.47119
6430.0000 -42.63185 -39.90460 2.72725 2.21499 -40.27846 933.23013
6435.0000 -41.68995 -39.57556 2.11440 2.27476 -39.85287 979.50375
6440.0000 -41.17587 -38.52152 2.65436 2.33518 -39.42265 1146.25723
6445.0000 -41.39915 -38.59097 2.80818 2.38614 -39.05983 1087.50523
6450.0000 -41.39150 -38.69269 2.69881 2.42463 -38.78574 1147.02629
6455.0000 -41.06298 -38.42201 2.64097 2.36716 -39.19496 1101.58260
6460.0000 -42.27699 -39.10748 3.16951 2.34805 -39.33103 1035.66383
6465.0000 -42.24079 -39.83964 2.40115 2.27239 -39.86974 972.61557
6470.0000 -42.43259 -40.77390 1.65869 2.19506 -40.42035 865.60749
6475.0000 -42.48177 -39.94052 2.54125 2.27331 -39.86316 959.65584
6480.0000 -42.63351 -39.73361 2.89990 2.30495 -39.63794 1046.92337
6485.0000 -42.26406 -39.25002 3.01405 2.27115 -39.87856 1055.75402
6490.0000 -42.64651 -39.89096 2.75554 2.32579 -39.48950 1036.46196
6495.0000 -42.32661 -39.38274 2.94388 2.28235 -39.79882 978.88583
6500.0000 -41.84831 -39.95214 1.89617 2.23322 -40.14868 977.05589
MELTING PROCESS: loop number 27 T-loop= 1091.0000000000000
main_MD> interactions number 27 at Temperature= 1091.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 2.12075 -5.38813 -3.37928
force_rgl> df(natom) -4.82595 1.25947 2.54256
6505.0000 -41.89653 -39.29008 2.60645 2.29159 -39.73303 1001.60256
6510.0000 -42.27909 -38.37191 3.90718 2.53211 -38.02046 1225.59556
6515.0000 -41.36644 -38.80687 2.55958 2.40486 -38.92648 1100.41758
6520.0000 -41.59630 -38.36575 3.23055 2.43206 -38.73281 1170.89817
6525.0000 -42.55926 -40.45347 2.10579 2.38060 -39.09929 1140.10052
6530.0000 -42.00548 -39.33534 2.67014 2.21501 -40.27831 939.65171
6535.0000 -41.67377 -38.69139 2.98238 2.42938 -38.75190 1243.59902
6540.0000 -41.32431 -38.39951 2.92480 2.46972 -38.46469 1183.55138
6545.0000 -42.30467 -40.32358 1.98109 2.38786 -39.04758 1152.70077
6550.0000 -43.02609 -40.95788 2.06821 2.14721 -40.76105 894.78374
6555.0000 -42.30353 -40.27760 2.02593 2.22008 -40.24224 951.63562
6560.0000 -42.27263 -39.72663 2.54601 2.20094 -40.37851 932.11990
6565.0000 -41.78898 -38.94304 2.84594 2.38718 -39.05243 1165.68365
6570.0000 -41.41486 -37.52452 3.89035 2.40246 -38.94358 1160.93005
6575.0000 -41.07766 -37.95742 3.12023 2.56198 -37.80773 1273.91484
6580.0000 -42.71380 -39.14128 3.57252 2.40625 -38.91661 1172.90401
6585.0000 -40.93277 -37.68096 3.25180 2.54986 -37.89409 1384.14127
6590.0000 -41.84591 -39.48651 2.35939 2.39426 -39.00202 1175.21538
6595.0000 -41.22849 -38.99445 2.23404 2.35037 -39.31451 1112.21837
6600.0000 -40.95523 -37.51677 3.43846 2.45341 -38.58085 1233.98111
6605.0000 -41.17102 -38.97833 2.19268 2.53338 -38.01139 1228.21223
6610.0000 -40.94936 -38.87411 2.07526 2.40752 -38.90760 1086.36154
6615.0000 -42.53776 -39.59404 2.94372 2.48552 -38.35217 1284.26131
6620.0000 -42.38837 -38.77792 3.61045 2.38670 -39.05585 1126.41760
6625.0000 -41.28563 -37.84607 3.43956 2.56009 -37.82123 1295.04166
6630.0000 -41.52894 -38.39749 3.13145 2.57772 -37.69567 1352.86727
6635.0000 -41.84000 -39.44448 2.39552 2.36441 -39.21452 1113.95029
6640.0000 -42.10431 -38.99411 3.11019 2.35101 -39.30996 1141.00256
6645.0000 -42.04400 -39.99487 2.04914 2.44057 -38.67223 1157.87890
6650.0000 -42.51140 -40.43049 2.08091 2.18812 -40.46979 942.99970
6655.0000 -41.67707 -39.63586 2.04120 2.21163 -40.30235 884.94020
6660.0000 -42.35289 -40.15083 2.20205 2.30261 -39.65458 1030.21963
6665.0000 -42.47481 -39.98027 2.49454 2.28403 -39.78690 1070.89908
6670.0000 -41.90638 -39.78233 2.12405 2.28160 -39.80418 1024.63852
6675.0000 -42.51503 -39.94555 2.56948 2.30118 -39.66476 1001.49277
6680.0000 -42.50110 -39.63773 2.86336 2.32605 -39.48764 1027.24661
6685.0000 -42.62440 -40.56304 2.06136 2.22774 -40.18768 972.42832
6690.0000 -42.95424 -40.09234 2.86190 2.20642 -40.33945 928.12130
6695.0000 -42.58073 -41.04211 1.53862 2.25179 -40.01640 1010.00837
6700.0000 -42.70825 -40.44282 2.26543 2.16104 -40.66260 868.20788
6705.0000 -41.59526 -39.39214 2.20312 2.30326 -39.64996 1010.45864
6710.0000 -41.90902 -38.71897 3.19004 2.40455 -38.92873 1121.77249
6715.0000 -42.81197 -40.29317 2.51880 2.30309 -39.65116 1115.42432
6720.0000 -43.43343 -40.96211 2.47131 2.19896 -40.39260 897.06741
6725.0000 -42.84938 -39.87876 2.97062 2.16514 -40.63338 909.81880
6730.0000 -42.96332 -40.75449 2.20883 2.16853 -40.60929 977.59089
6735.0000 -42.84725 -40.24897 2.59828 2.15443 -40.70968 897.86474
6740.0000 -41.40167 -37.68745 3.71422 2.40880 -38.89844 1121.09083
6745.0000 -41.02478 -38.50537 2.51940 2.47395 -38.43458 1149.31131
6750.0000 -41.38958 -38.79975 2.58983 2.42975 -38.74928 1148.56859
MELTING PROCESS: loop number 28 T-loop= 1116.0000000000000
main_MD> interactions number 28 at Temperature= 1116.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 0.35266 -1.47481 -0.73481
force_rgl> df(natom) 1.94201 -1.18342 -2.31239
6755.0000 -40.42492 -37.72868 2.69623 2.53300 -38.01408 1218.01221
6760.0000 -42.51359 -39.26890 3.24469 2.47732 -38.41059 1254.49198
6765.0000 -41.79447 -39.72788 2.06659 2.36078 -39.24040 1130.89270
6770.0000 -42.23130 -38.98460 3.24670 2.35318 -39.29447 1071.62866
6775.0000 -42.08589 -38.76186 3.32403 2.51165 -38.16612 1261.60908
6780.0000 -42.18028 -39.83504 2.34525 2.35325 -39.29400 1111.16635
6785.0000 -42.72063 -40.78710 1.93353 2.22537 -40.20454 966.42210
6790.0000 -41.87968 -39.54326 2.33642 2.24194 -40.08655 939.97679
6795.0000 -42.88170 -39.96959 2.91210 2.24762 -40.04611 986.92065
6800.0000 -41.89520 -39.78480 2.11040 2.24509 -40.06414 995.91677
6805.0000 -41.79743 -39.32413 2.47330 2.35122 -39.30844 1083.17727
6810.0000 -42.86668 -40.29139 2.57528 2.34296 -39.36728 983.38837
6815.0000 -42.48695 -40.53288 1.95408 2.17652 -40.55237 917.19565
6820.0000 -41.35435 -37.69160 3.66275 2.31426 -39.57164 1099.46016
6825.0000 -42.01869 -38.92932 3.08936 2.46771 -38.47898 1200.40766
6830.0000 -42.51724 -39.10161 3.41563 2.42477 -38.78473 1248.45829
6835.0000 -42.51199 -38.92224 3.58975 2.40404 -38.93234 1233.12425
6840.0000 -42.20026 -39.20392 2.99634 2.47140 -38.45276 1231.51937
6845.0000 -40.95881 -38.01795 2.94086 2.40671 -38.91333 1106.17310
6850.0000 -41.18477 -38.36220 2.82257 2.45596 -38.56268 1176.60704
6855.0000 -42.03798 -38.97537 3.06261 2.43389 -38.71979 1161.42257
6860.0000 -42.18154 -39.09511 3.08643 2.37748 -39.12144 1182.96717
6865.0000 -41.50508 -38.98096 2.52412 2.42655 -38.77209 1233.92927
6870.0000 -41.13693 -38.36312 2.77381 2.45584 -38.56353 1174.03023
6875.0000 -41.86168 -39.81378 2.04790 2.33315 -39.43711 975.04035
6880.0000 -42.50401 -40.02798 2.47603 2.30837 -39.61353 996.85405
6885.0000 -41.61532 -39.11438 2.50094 2.28493 -39.78049 1039.48519
6890.0000 -42.58919 -39.33819 3.25100 2.39734 -38.98006 1187.14740
6895.0000 -42.59738 -39.27941 3.31797 2.29314 -39.72199 1115.05333
6900.0000 -41.67752 -38.76812 2.90939 2.36263 -39.22723 1124.79155
6905.0000 -41.74133 -39.71643 2.02490 2.31662 -39.55481 1147.34530
6910.0000 -43.05708 -39.65078 3.40630 2.34015 -39.38726 1115.38838
6915.0000 -41.48312 -38.91212 2.57100 2.35208 -39.30235 1087.24526
6920.0000 -41.25338 -39.37197 1.88141 2.40404 -38.93239 1126.32545
6925.0000 -40.90480 -39.23741 1.66739 2.36187 -39.23262 1142.22602
6930.0000 -42.93729 -41.02110 1.91620 2.27363 -39.86095 1079.46235
6935.0000 -42.29417 -40.02262 2.27155 2.31866 -39.54030 1034.12426
6940.0000 -42.23979 -39.80644 2.43335 2.25308 -40.00721 933.05381
6945.0000 -41.12002 -38.74804 2.37198 2.37435 -39.14375 1000.58291
6950.0000 -42.79215 -40.53851 2.25364 2.34100 -39.38121 1096.73996
6955.0000 -42.21018 -39.92655 2.28362 2.16128 -40.66089 884.38688
6960.0000 -41.90957 -39.66747 2.24210 2.28746 -39.76247 1040.75990
6965.0000 -40.85114 -38.62601 2.22513 2.35465 -39.28404 1073.18671
6970.0000 -40.84877 -38.81061 2.03816 2.43081 -38.74173 1233.51975
6975.0000 -40.95762 -37.88321 3.07441 2.55078 -37.88753 1293.17643
6980.0000 -42.44039 -39.52418 2.91621 2.44388 -38.64865 1222.54268
6985.0000 -41.20966 -39.20047 2.00919 2.38401 -39.07499 1121.35547
6990.0000 -42.69678 -39.71942 2.97736 2.37231 -39.15831 1066.23577
6995.0000 -42.16621 -40.12770 2.03852 2.19195 -40.44251 949.72781
7000.0000 -41.05269 -38.11349 2.93920 2.43052 -38.74381 1163.27811
MELTING PROCESS: loop number 29 T-loop= 1141.0000000000000
main_MD> interactions number 29 at Temperature= 1141.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.49891 0.10278 -0.46872
force_rgl> df(natom) -3.11404 -1.68218 -2.32252
7005.0000 -41.25607 -38.19576 3.06031 2.54759 -37.91022 1233.44644
7010.0000 -41.79846 -39.01473 2.78373 2.51656 -38.13120 1208.10792
7015.0000 -41.25293 -37.84501 3.40792 2.45412 -38.57576 1278.18904
7020.0000 -40.71220 -37.88966 2.82254 2.50168 -38.23713 1223.22809
7025.0000 -41.14282 -38.84523 2.29760 2.51266 -38.15891 1271.81016
7030.0000 -42.30892 -40.76284 1.54608 2.33944 -39.39230 1087.04168
7035.0000 -42.63627 -40.38490 2.25137 2.17901 -40.53465 913.17126
7040.0000 -41.47683 -38.70522 2.77161 2.34825 -39.32960 1078.43724
7045.0000 -41.42531 -38.06019 3.36512 2.42674 -38.77069 1149.87026
7050.0000 -40.64398 -37.73380 2.91018 2.49603 -38.27733 1265.75194
7055.0000 -41.96105 -38.92269 3.03836 2.45076 -38.59967 1192.87490
7060.0000 -41.58912 -39.11642 2.47270 2.42371 -38.79230 1280.26853
7065.0000 -42.00872 -39.29148 2.71724 2.35855 -39.25629 1052.27556
7070.0000 -42.08955 -39.97130 2.11825 2.40397 -38.93282 1099.66605
7075.0000 -42.43212 -40.43164 2.00049 2.17269 -40.57964 874.67777
7080.0000 -43.03589 -40.45368 2.58221 2.25500 -39.99357 1046.88567
7085.0000 -43.65404 -40.44134 3.21271 2.21560 -40.27414 964.27331
7090.0000 -41.47320 -38.44622 3.02698 2.39560 -38.99244 1228.69919
7095.0000 -41.48567 -38.89640 2.58927 2.41199 -38.87571 1165.32727
7100.0000 -41.77917 -39.16954 2.60964 2.46836 -38.47438 1166.26458
7105.0000 -41.62361 -39.48327 2.14034 2.40336 -38.93721 1176.59796
7110.0000 -42.75541 -40.16337 2.59204 2.26032 -39.95569 1038.43142
7115.0000 -41.45923 -38.92278 2.53644 2.29560 -39.70452 1037.11417
7120.0000 -42.26843 -39.19670 3.07173 2.39753 -38.97869 1200.86686
7125.0000 -42.99020 -40.02200 2.96821 2.24700 -40.05054 945.29507
7130.0000 -40.88084 -38.28587 2.59498 2.42483 -38.78433 1195.10677
7135.0000 -41.98049 -39.37326 2.60723 2.52534 -38.06863 1216.06662
7140.0000 -42.13513 -39.06972 3.06541 2.40179 -38.94836 1126.75012
7145.0000 -41.48026 -38.23223 3.24803 2.43394 -38.71943 1186.16030
7150.0000 -41.14840 -38.80354 2.34486 2.40673 -38.91321 1116.71550
7155.0000 -42.17786 -38.70696 3.47090 2.41046 -38.88662 1125.68010
7160.0000 -41.21091 -37.90418 3.30674 2.48650 -38.34523 1208.40658
7165.0000 -41.22649 -38.28995 2.93654 2.53117 -38.02715 1238.53021
7170.0000 -41.48451 -37.59397 3.89054 2.53450 -38.00343 1285.68251
7175.0000 -41.46613 -39.42530 2.04083 2.49547 -38.28132 1258.11019
7180.0000 -41.01421 -38.74331 2.27090 2.36186 -39.23270 1102.11130
7185.0000 -41.82041 -37.72601 4.09440 2.45672 -38.55727 1205.06967
7190.0000 -41.37636 -38.77448 2.60188 2.42302 -38.79720 1191.44298
7195.0000 -41.92234 -38.63153 3.29081 2.40869 -38.89926 1130.33917
7200.0000 -41.59429 -38.41701 3.17728 2.41344 -38.86539 1122.18488
7205.0000 -41.19527 -38.08913 3.10615 2.43927 -38.68149 1150.06916
7210.0000 -41.30603 -37.93993 3.36610 2.56694 -37.77247 1317.06010
7215.0000 -41.19796 -38.45644 2.74152 2.50002 -38.24893 1214.88023
7220.0000 -40.93507 -37.93150 3.00357 2.42408 -38.78963 1128.83199
7225.0000 -41.63007 -38.69078 2.93929 2.51650 -38.13159 1252.03831
7230.0000 -39.96461 -36.80550 3.15911 2.45260 -38.58661 1167.57177
7235.0000 -40.75259 -37.17079 3.58180 2.74505 -36.50424 1571.38875
7240.0000 -42.79845 -40.17952 2.61893 2.44893 -38.61272 1284.06546
7245.0000 -42.70639 -39.83801 2.86837 2.26895 -39.89421 981.86503
7250.0000 -42.78710 -40.02819 2.75890 2.30951 -39.60547 1061.80657
MELTING PROCESS: loop number 30 T-loop= 1166.0000000000000
main_MD> interactions number 30 at Temperature= 1166.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) -1.38855 4.46115 -2.09565
force_rgl> df(natom) -1.38839 -0.80212 2.57502
7255.0000 -42.31771 -39.11438 3.20333 2.28243 -39.79828 953.98726
7260.0000 -41.30371 -38.83319 2.47052 2.42619 -38.77463 1200.59521
7265.0000 -40.76411 -37.64403 3.12008 2.53507 -37.99936 1260.42088
7270.0000 -41.01079 -38.15043 2.86037 2.49673 -38.27237 1223.33839
7275.0000 -41.26704 -38.65194 2.61510 2.43706 -38.69727 1164.75544
7280.0000 -41.60550 -39.59043 2.01507 2.39648 -38.98619 1166.67339
7285.0000 -41.87766 -37.91901 3.95866 2.44393 -38.64833 1166.56052
7290.0000 -41.51256 -39.42802 2.08455 2.40699 -38.91136 990.94537
7295.0000 -41.60457 -38.99276 2.61181 2.34546 -39.34950 1076.96540
7300.0000 -42.06530 -40.05698 2.00832 2.31581 -39.56058 1095.29657
7305.0000 -40.86248 -37.91402 2.94846 2.38746 -39.05041 1128.38694
7310.0000 -42.00278 -39.17434 2.82844 2.50919 -38.18362 1244.35480
7315.0000 -42.13869 -39.56289 2.57580 2.35532 -39.27923 1096.76429
7320.0000 -41.43574 -38.46887 2.96688 2.35693 -39.26776 1099.30982
7325.0000 -40.78909 -36.80836 3.98073 2.58640 -37.63390 1418.24568
7330.0000 -40.22844 -37.15577 3.07266 2.68012 -36.96657 1443.88361
7335.0000 -41.30201 -37.96582 3.33619 2.58129 -37.67025 1375.85825
7340.0000 -42.00594 -39.20085 2.80509 2.50626 -38.20453 1260.14289
7345.0000 -41.79692 -39.77621 2.02071 2.33872 -39.39747 1011.10526
7350.0000 -40.08732 -36.82374 3.26359 2.41705 -38.83971 1168.11894
7355.0000 -41.08802 -38.64355 2.44447 2.57230 -37.73426 1266.04289
7360.0000 -41.40090 -38.33546 3.06544 2.49928 -38.25421 1184.47817
7365.0000 -41.03463 -38.95369 2.08094 2.36691 -39.19675 1123.95559
7370.0000 -41.93566 -39.30360 2.63206 2.34275 -39.36875 1075.91847
7375.0000 -41.67528 -39.37060 2.30468 2.39577 -38.99126 1117.59368
7380.0000 -41.60968 -39.48819 2.12149 2.30980 -39.60334 1034.31781
7385.0000 -41.78813 -38.41740 3.37073 2.37794 -39.11821 1075.05350
7390.0000 -40.84665 -38.75831 2.08835 2.45112 -38.59711 1133.07425
7395.0000 -42.43731 -39.33200 3.10531 2.41653 -38.84339 1225.56809
7400.0000 -41.88672 -39.13430 2.75242 2.35805 -39.25980 1128.56161
7405.0000 -42.26784 -38.90900 3.35883 2.45579 -38.56385 1217.14539
7410.0000 -41.64671 -38.93656 2.71015 2.41845 -38.82972 1130.67969
7415.0000 -41.19739 -37.81666 3.38073 2.51326 -38.15463 1220.53046
7420.0000 -42.30879 -38.56581 3.74298 2.42639 -38.77320 1116.35769
7425.0000 -42.08741 -38.84450 3.24290 2.38380 -39.07649 1125.64416
7430.0000 -41.38224 -38.58142 2.80083 2.39554 -38.99289 1053.49849
7435.0000 -40.61970 -38.36524 2.25446 2.47916 -38.39746 1185.44759
7440.0000 -40.88172 -38.37476 2.50696 2.48621 -38.34726 1273.16405
7445.0000 -41.71313 -38.10893 3.60420 2.49106 -38.31271 1264.65578
7450.0000 -42.48661 -39.52612 2.96049 2.42110 -38.81085 1205.89328
7455.0000 -41.91023 -39.46064 2.44959 2.35219 -39.30153 1113.84111
7460.0000 -42.78572 -40.09910 2.68662 2.30232 -39.65661 1011.89020
7465.0000 -42.13904 -39.64668 2.49236 2.25540 -39.99075 966.02840
7470.0000 -41.13652 -38.79670 2.33981 2.38646 -39.05756 1019.81293
7475.0000 -41.09462 -38.30651 2.78810 2.48531 -38.35364 1177.09063
7480.0000 -41.83446 -38.96531 2.86914 2.47790 -38.40642 1273.25180
7485.0000 -41.35060 -38.97424 2.37636 2.44668 -38.62870 1183.57816
7490.0000 -41.20809 -38.14371 3.06437 2.43487 -38.71285 1241.73608
7495.0000 -42.66093 -40.19886 2.46207 2.31771 -39.54704 1082.13353
7500.0000 -42.32229 -38.98077 3.34152 2.31149 -39.59132 1145.64282
MELTING PROCESS: loop number 31 T-loop= 1191.0000000000000
main_MD> interactions number 31 at Temperature= 1191.0000000000000
force_rgl> LIMIT ON DISTANCE 0.99999991752029205 0.99999991752029205 0.99999991752029205
force_rgl> df(1) 4.51120 -0.06750 5.16628
force_rgl> df(natom) -1.78818 -1.01160 0.25185
7505.0000 -41.70333 -38.13542 3.56791 2.42215 -38.80339 1106.56167
7510.0000 -39.55966 -36.95360 2.60606 2.54037 -37.96160 1282.92939
7515.0000 -41.51742 -39.09756 2.41986 2.46823 -38.47526 1154.18426
7520.0000 -42.01818 -39.23808 2.78010 2.33944 -39.39235 1087.64742
7525.0000 -41.05589 -38.19412 2.86177 2.46972 -38.46468 1253.02809
7530.0000 -41.31149 -37.70921 3.60228 2.52887 -38.04348 1198.61713
7535.0000 -42.17105 -39.52781 2.64324 2.47021 -38.46120 1141.92284
7540.0000 -41.85667 -39.36022 2.49644 2.30850 -39.61264 1053.46627
7545.0000 -43.59148 -40.31516 3.27632 2.33001 -39.45946 1064.75267
7550.0000 -41.57429 -39.21109 2.36321 2.34071 -39.38328 1099.73648
7555.0000 -41.65979 -39.41062 2.24917 2.34997 -39.31733 1082.67414
7560.0000 -40.91827 -38.89523 2.02304 2.43469 -38.71408 1217.48096
7565.0000 -41.52525 -38.99612 2.52913 2.39550 -38.99319 1109.43989
7570.0000 -41.71298 -38.99782 2.71516 2.46252 -38.51593 1282.04306
7575.0000 -42.27241 -39.32608 2.94634 2.42598 -38.77612 1223.60700
7580.0000 -42.32888 -39.19530 3.13358 2.38539 -39.06516 1177.79200
7585.0000 -42.09973 -38.69805 3.40169 2.31533 -39.56400 1088.49218
7590.0000 -42.63593 -40.18989 2.44603 2.37287 -39.15432 1113.14727
7595.0000 -41.69166 -39.25034 2.44131 2.25612 -39.98562 942.50664
7600.0000 -42.68561 -39.67405 3.01156 2.34740 -39.33564 1169.78130
7605.0000 -42.21616 -38.92443 3.29173 2.33536 -39.42139 1040.24404
7610.0000 -41.25054 -38.46809 2.78245 2.46797 -38.47715 1242.58798
7615.0000 -41.31344 -38.92021 2.39323 2.40955 -38.89314 1201.12866
7620.0000 -40.73854 -36.42581 4.31273 2.61257 -37.44754 1369.59849
7625.0000 -41.13129 -37.88383 3.24746 2.67183 -37.02558 1481.96172
7630.0000 -41.56147 -38.80551 2.75596 2.51053 -38.17409 1272.14692
7635.0000 -41.29552 -39.02698 2.26854 2.44860 -38.61508 1189.42666
7640.0000 -40.84643 -37.57643 3.27000 2.55725 -37.84141 1297.89656
7645.0000 -42.35492 -38.64383 3.71109 2.43999 -38.67635 1113.10383
7650.0000 -41.09912 -38.80834 2.29078 2.44111 -38.66838 1195.79755
7655.0000 -40.77267 -37.18743 3.58523 2.55135 -37.88342 1299.06820
7660.0000 -41.63254 -38.07436 3.55818 2.52461 -38.07387 1289.16263
7665.0000 -41.95254 -39.08237 2.87016 2.48203 -38.37705 1235.16997
7670.0000 -40.92438 -38.34868 2.57570 2.43408 -38.71844 1206.80281
7675.0000 -41.61677 -38.76452 2.85224 2.40819 -38.90282 1148.44036
7680.0000 -41.08034 -38.62215 2.45818 2.42235 -38.80201 1141.74109
7685.0000 -42.45723 -39.61231 2.84493 2.35417 -39.28746 1074.59612
7690.0000 -42.57433 -40.22403 2.35030 2.30352 -39.64810 1095.55897
7695.0000 -43.02184 -41.22727 1.79457 2.21245 -40.29653 974.66639
7700.0000 -42.85141 -39.96956 2.88186 2.14832 -40.75319 900.02755
7705.0000 -42.42827 -40.03709 2.39118 2.27871 -39.82477 1040.91887
7710.0000 -42.93462 -40.29243 2.64220 2.23941 -40.10460 977.11273
7715.0000 -42.05218 -39.66927 2.38291 2.31929 -39.53583 1084.01398
7720.0000 -40.56008 -38.12960 2.43048 2.41703 -38.83984 1108.63489
7725.0000 -41.51715 -37.76549 3.75166 2.52553 -38.06727 1364.42220
7730.0000 -41.79773 -38.53189 3.26584 2.51065 -38.17323 1265.45452
7735.0000 -42.13225 -38.17125 3.96100 2.51475 -38.14403 1300.62235
7740.0000 -41.96218 -39.31300 2.64918 2.45005 -38.60477 1184.16790
7745.0000 -41.20916 -39.81615 1.39301 2.32348 -39.50598 974.32212
7750.0000 -41.74952 -39.36868 2.38084 2.34685 -39.33957 1064.99087
main_MD> EXECUTION TIME: 0 [day], 0 [hour], 2 [min], 35.7620112 [s].
main_MD> Deallocating global variables
Reference in New Issue View Git Blame Copy Permalink